smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000015202893 177919228 /nfs/dbraw/zinc/91/92/28/177919228.db2.gz SMGZKJMCBWXEAI-UHFFFAOYSA-N 0 0 241.216 2.903 40 0 BFABRN O=c1[nH]nc2[nH]c(-c3ccc(Cl)cc3)ccc1-2 ZINC000226818737 187320922 /nfs/dbraw/zinc/32/09/22/187320922.db2.gz WOLLNYYTKFOZOI-UHFFFAOYSA-N 0 0 245.669 2.572 40 0 BFABRN CCCCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000113960071 136217035 /nfs/dbraw/zinc/21/70/35/136217035.db2.gz VCCGNWUAVLLJEJ-CYBMUJFWSA-N 0 0 249.354 2.987 40 0 BFABRN CCc1ccc(NC(=S)NC(C)C)cc1 ZINC000013789270 136217472 /nfs/dbraw/zinc/21/74/72/136217472.db2.gz OKZFEFYPCOPHSF-UHFFFAOYSA-N 0 0 222.357 2.944 40 0 BFABRN Cc1cc(Cl)n(-c2ccc(O)cc2)n1 ZINC000096529728 178072022 /nfs/dbraw/zinc/07/20/22/178072022.db2.gz JGJNQTGEFRYCBN-UHFFFAOYSA-N 0 0 208.648 2.540 40 0 BFABRN CSc1ccc(CCOC(C)=O)cc1 ZINC000095729935 187326436 /nfs/dbraw/zinc/32/64/36/187326436.db2.gz VCIHJMFOFWBKDF-UHFFFAOYSA-N 0 0 210.298 2.514 40 0 BFABRN Cc1cc(N2CCC[C@H]2c2ccccn2)ncn1 ZINC000072357283 178115906 /nfs/dbraw/zinc/11/59/06/178115906.db2.gz LPSHMPWNCRRLQU-ZDUSSCGKSA-N 0 0 240.310 2.522 40 0 BFABRN CCC(CC)C(=O)Nc1ccc(N)cc1C ZINC000008703469 168341117 /nfs/dbraw/zinc/34/11/17/168341117.db2.gz YPWZFRQRCKQWEI-UHFFFAOYSA-N 0 0 220.316 2.952 40 0 BFABRN [NH3+][C@H](C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000004202361 398212424 /nfs/dbraw/zinc/21/24/24/398212424.db2.gz MOHPYKSOEQKFBU-ZDUSSCGKSA-N 0 0 243.262 2.563 40 0 BFABRN CCn1nc(C)cc1NCc1cccc(OC)c1 ZINC000256053772 187330425 /nfs/dbraw/zinc/33/04/25/187330425.db2.gz STYXZTBIFGOTRB-UHFFFAOYSA-N 0 0 245.326 2.832 40 0 BFABRN CCn1nc(C)cc1NCc1cccc(O)c1 ZINC000256052672 187331066 /nfs/dbraw/zinc/33/10/66/187331066.db2.gz OGKOCAUPEKHYPY-UHFFFAOYSA-N 0 0 231.299 2.529 40 0 BFABRN Cc1cc(NCc2ccncc2)c(C)cc1N ZINC000223780691 178175501 /nfs/dbraw/zinc/17/55/01/178175501.db2.gz OSLKCGLZDMZXEM-UHFFFAOYSA-N 0 0 227.311 2.893 40 0 BFABRN CCC(CC)CN1CCSC1=S ZINC000005543539 168353502 /nfs/dbraw/zinc/35/35/02/168353502.db2.gz ARZBNELJPBMQSL-UHFFFAOYSA-N 0 0 203.376 2.756 40 0 BFABRN Cc1cc(Nc2ccc(C)c(C)c2)nc(N)n1 ZINC000001681556 178191534 /nfs/dbraw/zinc/19/15/34/178191534.db2.gz AZUJLCPVNZANMR-UHFFFAOYSA-N 0 0 228.299 2.728 40 0 BFABRN Cc1cc(O)c(C)c2c1CC[C@@H]1[C@H]2OC(=O)[C@H]1C ZINC000001672586 178195892 /nfs/dbraw/zinc/19/58/92/178195892.db2.gz ZLKGXNSQDUJSAU-YLGCSUCGSA-N 0 0 246.306 2.805 40 0 biogenic,in-vitro BFABRN Cc1cc([C@@H](O)c2ccccc2)ccc1N ZINC000224012922 178239288 /nfs/dbraw/zinc/23/92/88/178239288.db2.gz GKVRZRJXGYZUJY-AWEZNQCLSA-N 0 0 213.280 2.659 40 0 BFABRN Cc1cc([C@@H](O)c2ccoc2)ccc1F ZINC000068890736 178239862 /nfs/dbraw/zinc/23/98/62/178239862.db2.gz IUKZZDVGQRAGRK-GFCCVEGCSA-N 0 0 206.216 2.809 40 0 BFABRN Cc1cc2c(c(=O)o1)C=C1CCCC[C@@H]1O2 ZINC000026897563 178282167 /nfs/dbraw/zinc/28/21/67/178282167.db2.gz OOEUMXVXNXRROJ-NSHDSACASA-N 0 0 218.252 2.667 40 0 BFABRN Cc1cc2ccccn2c1-c1csc(NN)n1 ZINC000085397351 178298500 /nfs/dbraw/zinc/29/85/00/178298500.db2.gz ZDOHBJZLUCHKBI-UHFFFAOYSA-N 0 0 244.323 2.657 40 0 BFABRN Cc1cc2ncn(CC(=O)OC(C)C)c2cc1C ZINC000011737077 178304925 /nfs/dbraw/zinc/30/49/25/178304925.db2.gz HARPJFPACXUFKC-UHFFFAOYSA-N 0 0 246.310 2.605 40 0 BFABRN Cc1cc2sc(=NN)[nH]c2cc1Cl ZINC000022124524 178309363 /nfs/dbraw/zinc/30/93/63/178309363.db2.gz HTCISEVANOXRIO-UHFFFAOYSA-N 0 0 213.693 2.544 40 0 BFABRN CC(=O)c1c(Cl)cc(N)cc1Cl ZINC000002569279 398251317 /nfs/dbraw/zinc/25/13/17/398251317.db2.gz NQUAMHWJQQTUFQ-UHFFFAOYSA-N 0 0 204.056 2.778 40 0 BFABRN Cc1ccc(-c2c(N)n[nH]c2C2CC2)cc1 ZINC000041227024 178317737 /nfs/dbraw/zinc/31/77/37/178317737.db2.gz BXWQOUUOWMGVOY-UHFFFAOYSA-N 0 0 213.284 2.845 40 0 BFABRN Cc1c(C)n(-c2ccc(C)cn2)c(C)c1C=O ZINC000022122419 178345008 /nfs/dbraw/zinc/34/50/08/178345008.db2.gz FTNMOLXANRRYAI-UHFFFAOYSA-N 0 0 228.295 2.918 40 0 BFABRN Cc1ccc(-n2nc3ccc(N)c(C)c3n2)cc1 ZINC000073740104 178348161 /nfs/dbraw/zinc/34/81/61/178348161.db2.gz DJFWXLVSFMIDAA-UHFFFAOYSA-N 0 0 238.294 2.620 40 0 BFABRN Cc1ccc(-c2cnc(C=O)s2)cc1 ZINC000045206034 178328927 /nfs/dbraw/zinc/32/89/27/178328927.db2.gz OOHGRWXWZAXZFW-UHFFFAOYSA-N 0 0 203.266 2.931 40 0 BFABRN CCc1ccc2[nH]cc(CCCO)c2c1 ZINC000071487245 259314625 /nfs/dbraw/zinc/31/46/25/259314625.db2.gz CFCLQIMWSBCDQC-UHFFFAOYSA-N 0 0 203.285 2.655 40 0 BFABRN O=Cc1nccc2c(Br)cccc12 ZINC000072206996 259314472 /nfs/dbraw/zinc/31/44/72/259314472.db2.gz KCOOQXUNVYMHGV-UHFFFAOYSA-N 0 0 236.068 2.810 40 0 BFABRN CC[C@@H](O)Cc1ccc(N(CC)CC)cc1 ZINC000058001540 342679817 /nfs/dbraw/zinc/67/98/17/342679817.db2.gz JPTARWNNUMSUSM-CQSZACIVSA-N 0 0 221.344 2.846 40 0 BFABRN C/C=C/C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000000341560 342684054 /nfs/dbraw/zinc/68/40/54/342684054.db2.gz QDUSYJKTTWXGCU-ONEGZZNKSA-N 0 0 248.307 2.820 40 0 BFABRN COC(=O)c1ncccc1-c1ccccc1F ZINC000072209371 259315854 /nfs/dbraw/zinc/31/58/54/259315854.db2.gz QZNQNLRDMQSROL-UHFFFAOYSA-N 0 0 231.226 2.674 40 0 BFABRN Cc1ccc(C2=NNC(C)(C)S2)cc1 ZINC000000045681 342671193 /nfs/dbraw/zinc/67/11/93/342671193.db2.gz MKEYQJODKDIKLW-UHFFFAOYSA-N 0 0 206.314 2.729 40 0 BFABRN CN(C)c1ccc2c(Cl)ccnc2c1 ZINC000001576542 342704120 /nfs/dbraw/zinc/70/41/20/342704120.db2.gz RSILXKGPRQLNLJ-UHFFFAOYSA-N 0 0 206.676 2.954 40 0 BFABRN O=C1CSc2ccccc2-n2cccc21 ZINC000001585392 342704550 /nfs/dbraw/zinc/70/45/50/342704550.db2.gz WRMQVQBFXFIZIY-UHFFFAOYSA-N 0 0 215.277 2.766 40 0 in-vivo BFABRN Clc1nc2nc(C3CC3)[nH]c2nc1Cl ZINC000001649158 342706964 /nfs/dbraw/zinc/70/69/64/342706964.db2.gz DILCPNYDWPCASA-UHFFFAOYSA-N 0 0 229.070 2.537 40 0 BFABRN CSc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000001680577 342708820 /nfs/dbraw/zinc/70/88/20/342708820.db2.gz PIOWWZZCIZDYHI-UHFFFAOYSA-N 0 0 235.230 2.909 40 0 BFABRN CCOc1ccc(NC(=O)SC)cc1 ZINC000001689564 342709332 /nfs/dbraw/zinc/70/93/32/342709332.db2.gz ZAAAYBXMTZATCV-UHFFFAOYSA-N 0 0 211.286 2.980 40 0 BFABRN FC(F)(F)c1nc2scnc2c(Cl)n1 ZINC000001687791 342709348 /nfs/dbraw/zinc/70/93/48/342709348.db2.gz VFKDPWJTSAHXRQ-UHFFFAOYSA-N 0 0 239.609 2.759 40 0 BFABRN COc1ccc(CN(C)c2ccccn2)cc1 ZINC000001697262 342709689 /nfs/dbraw/zinc/70/96/89/342709689.db2.gz WEXVXDIKUNSXGK-UHFFFAOYSA-N 0 0 228.295 2.727 40 0 BFABRN CCCCCOC[C@H](O)c1ccccc1 ZINC000001697033 342709704 /nfs/dbraw/zinc/70/97/04/342709704.db2.gz ZVWXUACKKYVFMA-ZDUSSCGKSA-N 0 0 208.301 2.927 40 0 BFABRN C[C@@]1(O)C[C@@](O)(c2ccccc2)c2ccccc21 ZINC000001708743 342710507 /nfs/dbraw/zinc/71/05/07/342710507.db2.gz XVIODFWVBLLPJY-HZPDHXFCSA-N 0 0 240.302 2.534 40 0 BFABRN CCCC[C@H](CC)COC(=O)CC(C)=O ZINC000002046102 342715343 /nfs/dbraw/zinc/71/53/43/342715343.db2.gz QAUIAXORENGBSN-NSHDSACASA-N 0 0 214.305 2.725 40 0 BFABRN O=C1CCCC[C@@H]1CCc1ccncc1 ZINC000002045660 342715356 /nfs/dbraw/zinc/71/53/56/342715356.db2.gz ZFJZMLITADDWGG-GFCCVEGCSA-N 0 0 203.285 2.774 40 0 BFABRN Clc1cc(N2CCOCC2)c2ccccc2n1 ZINC000072210624 259317499 /nfs/dbraw/zinc/31/74/99/259317499.db2.gz DMEKKBSPAVNKTO-UHFFFAOYSA-N 0 0 248.713 2.725 40 0 BFABRN C[C@H](O)CSc1ccc(Cl)cc1 ZINC000004253666 342745579 /nfs/dbraw/zinc/74/55/79/342745579.db2.gz CHHYHUZLMAKWAS-ZETCQYMHSA-N 0 0 202.706 2.813 40 0 BFABRN O=C1N=NC(=O)N1c1ccc(Cl)cc1 ZINC000004253693 342745691 /nfs/dbraw/zinc/74/56/91/342745691.db2.gz BAFZBCBPRFDYDH-UHFFFAOYSA-N 0 0 209.592 2.852 40 0 BFABRN Nc1cc(C(F)(F)F)cc(N)c1Cl ZINC000002565747 342724615 /nfs/dbraw/zinc/72/46/15/342724615.db2.gz YCWXOQCYLKOSKL-UHFFFAOYSA-N 0 0 210.586 2.523 40 0 BFABRN CCc1ccccc1NC(=O)C(F)(F)F ZINC000003193058 342731442 /nfs/dbraw/zinc/73/14/42/342731442.db2.gz IWCDSTWXIHRPPU-UHFFFAOYSA-N 0 0 217.190 2.750 40 0 BFABRN CCCNc1ccc([C@@H]2CCCN2C(C)=O)cn1 ZINC000072213187 259318441 /nfs/dbraw/zinc/31/84/41/259318441.db2.gz DQYLZAISPDNWQR-ZDUSSCGKSA-N 0 0 247.342 2.587 40 0 BFABRN CC(=O)N1c2cc3[nH]c(C)cc3cc2C[C@H]1C ZINC000003845199 342738106 /nfs/dbraw/zinc/73/81/06/342738106.db2.gz ZEKVGKOAQZKIHX-SECBINFHSA-N 0 0 228.295 2.774 40 0 BFABRN CC[C@]1(c2ncc[nH]2)Cc2ccccc2O1 ZINC000003995472 342740190 /nfs/dbraw/zinc/74/01/90/342740190.db2.gz JCWVNNMJXQJVNC-CYBMUJFWSA-N 0 0 214.268 2.650 40 0 in-vitro BFABRN CC1(c2ccc(Br)cc2)OCCO1 ZINC000004798585 342752361 /nfs/dbraw/zinc/75/23/61/342752361.db2.gz GFOGBVQXIQGBKG-UHFFFAOYSA-N 0 0 243.100 2.669 40 0 in-vitro BFABRN O=C1CCCC[C@@H]1Sc1ccccn1 ZINC000004826075 342752677 /nfs/dbraw/zinc/75/26/77/342752677.db2.gz VECQZXLTQCPVLJ-JTQLQIEISA-N 0 0 207.298 2.685 40 0 BFABRN C[C@H](O)c1cc(F)ccc1N1CCCCC1 ZINC000035631410 342753521 /nfs/dbraw/zinc/75/35/21/342753521.db2.gz IKLAXQUYJJNIQD-JTQLQIEISA-N 0 0 223.291 2.869 40 0 BFABRN CC(=O)[C@@H]1CC[C@]2(C)CCC(=O)[C@@H](C)[C@H]2C1 ZINC000004984585 342755711 /nfs/dbraw/zinc/75/57/11/342755711.db2.gz TWCJTIDWKFRZSQ-LEJCRSTHSA-N 0 0 222.328 2.997 40 0 BFABRN OCC1(c2cc(-c3cccs3)on2)CCC1 ZINC000072220654 259319327 /nfs/dbraw/zinc/31/93/27/259319327.db2.gz RLWSYPSBFNAUGA-UHFFFAOYSA-N 0 0 235.308 2.817 40 0 BFABRN Cc1ccc(CC(=O)N2CCC(C)CC2)cc1 ZINC000006478880 342778251 /nfs/dbraw/zinc/77/82/51/342778251.db2.gz WDEAHCVGUOQINY-UHFFFAOYSA-N 0 0 231.339 2.796 40 0 BFABRN COc1ccc(CNc2cccnc2)cc1 ZINC000005586789 342766714 /nfs/dbraw/zinc/76/67/14/342766714.db2.gz MNPKYSMEPHFZNC-UHFFFAOYSA-N 0 0 214.268 2.702 40 0 BFABRN CO[P@@]1(=O)C[C@@H]2C(Cl)(Cl)[C@]2(C)C1 ZINC000005812677 342770357 /nfs/dbraw/zinc/77/03/57/342770357.db2.gz QRKRKVKQGRLRPQ-MQNJHXBQSA-N 0 0 229.043 2.735 40 0 BFABRN CCO[P@@](=O)(CC)OC(=O)N(CC)CC ZINC000005807547 342770359 /nfs/dbraw/zinc/77/03/59/342770359.db2.gz FKBXYSRAKVXMTJ-HNNXBMFYSA-N 0 0 237.236 2.714 40 0 BFABRN C[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000006036835 342772750 /nfs/dbraw/zinc/77/27/50/342772750.db2.gz WNIKNSNYJWTSDT-SSDOTTSWSA-N 0 0 204.191 2.629 40 0 in-vitro BFABRN Cc1ccc(Cl)cc1NC(=S)N(C)C ZINC000006488037 342778561 /nfs/dbraw/zinc/77/85/61/342778561.db2.gz CKTDKLDOXMWLEA-UHFFFAOYSA-N 0 0 228.748 2.907 40 0 BFABRN CSc1ncc(SC)c(=S)[nH]1 ZINC000006259806 342775445 /nfs/dbraw/zinc/77/54/45/342775445.db2.gz IGINNURVXLMCBZ-UHFFFAOYSA-N 0 0 204.345 2.583 40 0 BFABRN CCc1ccc2occ(CC(=O)N(C)C)c2c1 ZINC000027587564 398284597 /nfs/dbraw/zinc/28/45/97/398284597.db2.gz PHTCAPWQNTVREH-UHFFFAOYSA-N 0 0 231.295 2.626 40 0 BFABRN OCc1cccn1-c1ccc(Cl)cc1 ZINC000008701643 342802899 /nfs/dbraw/zinc/80/28/99/342802899.db2.gz YRMHNMXSSULCBT-UHFFFAOYSA-N 0 0 207.660 2.623 40 0 BFABRN CCCNc1cc(C)c([C@@H](O)CC)cn1 ZINC000072223210 259320973 /nfs/dbraw/zinc/32/09/73/259320973.db2.gz DCSOBPLFTFJKCV-NSHDSACASA-N 0 0 208.305 2.655 40 0 BFABRN C[C@H]1CC(F)(F)CCN1c1ncncc1Cl ZINC000624637608 342805995 /nfs/dbraw/zinc/80/59/95/342805995.db2.gz SFWHRMKSZGHJLB-ZETCQYMHSA-N 0 0 247.676 2.754 40 0 BFABRN C[C@@H]1CC(F)(F)CCN1c1ncncc1Cl ZINC000624637607 342806084 /nfs/dbraw/zinc/80/60/84/342806084.db2.gz SFWHRMKSZGHJLB-SSDOTTSWSA-N 0 0 247.676 2.754 40 0 BFABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2n[nH]cc21 ZINC000010156784 342834464 /nfs/dbraw/zinc/83/44/64/342834464.db2.gz HUWOFRGMDSDKAZ-VIFPVBQESA-N 0 0 246.697 2.976 40 0 BFABRN CCC(=O)c1ccc(N(CC)CC)nc1C ZINC000072224300 259321961 /nfs/dbraw/zinc/32/19/61/259321961.db2.gz YVCFUMNANLPGBW-UHFFFAOYSA-N 0 0 220.316 2.829 40 0 BFABRN Cc1cc(N2CCCCCC2)ncc1C=O ZINC000072223513 259321502 /nfs/dbraw/zinc/32/15/02/259321502.db2.gz QDUMUCYIEFKUPD-UHFFFAOYSA-N 0 0 218.300 2.583 40 0 BFABRN Cc1nc(N2CCc3ccccc32)ccc1CO ZINC000072224978 259321792 /nfs/dbraw/zinc/32/17/92/259321792.db2.gz DQEVQIBDUINVFZ-UHFFFAOYSA-N 0 0 240.306 2.577 40 0 BFABRN Cc1nc(OCc2ccccc2)ccc1C=O ZINC000072224453 259321899 /nfs/dbraw/zinc/32/18/99/259321899.db2.gz BOGUKDIDIQWPJR-UHFFFAOYSA-N 0 0 227.263 2.782 40 0 BFABRN O=C(CCSCc1ccccc1)N1CCCC1 ZINC000010616191 342837547 /nfs/dbraw/zinc/83/75/47/342837547.db2.gz MXGGOTDQZATSNH-UHFFFAOYSA-N 0 0 249.379 2.932 40 0 BFABRN Cc1nc(NC(C)(C)C)ccc1[C@@H](C)O ZINC000072225012 259322060 /nfs/dbraw/zinc/32/20/60/259322060.db2.gz IKGBIXPLBDOJTI-SECBINFHSA-N 0 0 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2.546 40 0 BFABRN CN(CC1CCCCC1)c1nc(N)cs1 ZINC000110753859 398300891 /nfs/dbraw/zinc/30/08/91/398300891.db2.gz UYCAZOOPQIWPIZ-UHFFFAOYSA-N 0 0 225.361 2.742 40 0 BFABRN Nc1ccc(Cl)cc1C(=O)Oc1ccccn1 ZINC000013284354 342865369 /nfs/dbraw/zinc/86/53/69/342865369.db2.gz MWDREHCYLYMJMR-UHFFFAOYSA-N 0 0 248.669 2.536 40 0 BFABRN COC(=O)[C@@H](N)c1ccc(-c2ccccc2)cc1 ZINC000015446142 342896671 /nfs/dbraw/zinc/89/66/71/342896671.db2.gz DXSRQHCLOHVMKH-AWEZNQCLSA-N 0 0 241.290 2.526 40 0 BFABRN Cc1nn(C(C)C)c2nc3ccccc3nc12 ZINC000016266406 342908621 /nfs/dbraw/zinc/90/86/21/342908621.db2.gz XXUJBWQQRCEERS-UHFFFAOYSA-N 0 0 226.283 2.869 40 0 BFABRN O=c1ncc(-c2nc3cc(Cl)ccc3o2)c[nH]1 ZINC000016431177 342910779 /nfs/dbraw/zinc/91/07/79/342910779.db2.gz BSHPRJZSIAXLLA-UHFFFAOYSA-N 0 0 247.641 2.644 40 0 BFABRN CN(CCc1ccccn1)c1ccccc1 ZINC000017301981 342923176 /nfs/dbraw/zinc/92/31/76/342923176.db2.gz KBMJIALIOLLWDY-UHFFFAOYSA-N 0 0 212.296 2.761 40 0 BFABRN O=S(=O)(Nc1cccc(F)c1)C1CCCC1 ZINC000019075046 342941000 /nfs/dbraw/zinc/94/10/00/342941000.db2.gz SOFNIIBEKKIUCF-UHFFFAOYSA-N 0 0 243.303 2.510 40 0 BFABRN Clc1ccc(OP2OCCO2)cc1 ZINC000238512667 398339138 /nfs/dbraw/zinc/33/91/38/398339138.db2.gz OFNCEXFWACBQHG-UHFFFAOYSA-N 0 0 218.576 2.993 40 0 BFABRN O=C1CCN(C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019332797 342945843 /nfs/dbraw/zinc/94/58/43/342945843.db2.gz QQQAXACNMHRDLO-UHFFFAOYSA-N 0 0 249.741 2.994 40 0 BFABRN O=[N+]([O-])/C=C\c1c(F)cccc1Cl ZINC000019616391 342952377 /nfs/dbraw/zinc/95/23/77/342952377.db2.gz JCIAIKBVPVMTBD-PLNGDYQASA-N 0 0 201.584 2.727 40 0 BFABRN Nc1ccc(C(=O)c2ccccc2F)cc1 ZINC000019779793 342957094 /nfs/dbraw/zinc/95/70/94/342957094.db2.gz FRGXRXKVVAHXBO-UHFFFAOYSA-N 0 0 215.227 2.639 40 0 BFABRN Clc1cc2c(c(Cl)c1)C[C@H]1O[C@@H]21 ZINC000019796235 342958170 /nfs/dbraw/zinc/95/81/70/342958170.db2.gz SBSVJEMBNBKHOX-BDAKNGLRSA-N 0 0 201.052 2.989 40 0 BFABRN CCOc1ccc(C(=O)OC(C)(C)C)cc1N ZINC000020155556 342972449 /nfs/dbraw/zinc/97/24/49/342972449.db2.gz DDLIUQDOYFUXHD-UHFFFAOYSA-N 0 0 237.299 2.623 40 0 BFABRN CCCCCC(=O)Nc1ccc(F)c(N)c1 ZINC000020157393 342972983 /nfs/dbraw/zinc/97/29/83/342972983.db2.gz VIPZRMWHZKUFNS-UHFFFAOYSA-N 0 0 224.279 2.927 40 0 BFABRN CSc1n[nH]c(-c2ccccc2C)n1 ZINC000020195639 342976231 /nfs/dbraw/zinc/97/62/31/342976231.db2.gz BEYZXYUGLVXQDA-UHFFFAOYSA-N 0 0 205.286 2.502 40 0 BFABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NC(C)C ZINC000020040927 342967161 /nfs/dbraw/zinc/96/71/61/342967161.db2.gz ALBLIGDUGOVHCW-CYBMUJFWSA-N 0 0 249.354 2.985 40 0 BFABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)C ZINC000020490008 342986984 /nfs/dbraw/zinc/98/69/84/342986984.db2.gz CVRWAQFHUCNFHP-LBPRGKRZSA-N 0 0 235.327 2.549 40 0 BFABRN O=C1C[C@@H](c2ccccc2)c2cccc(O)c2O1 ZINC000022114734 343040107 /nfs/dbraw/zinc/04/01/07/343040107.db2.gz ZCMLWBCOCDSUKG-LBPRGKRZSA-N 0 0 240.258 2.833 40 0 BFABRN Cc1cnc(Cl)n1Cc1ccccc1 ZINC000022126138 343040690 /nfs/dbraw/zinc/04/06/90/343040690.db2.gz SGEVRDFNXSUGLN-UHFFFAOYSA-N 0 0 206.676 2.893 40 0 BFABRN BrC1=COc2ccccc2O1 ZINC000021986342 343032090 /nfs/dbraw/zinc/03/20/90/343032090.db2.gz XPQOPFJPEAHFMK-UHFFFAOYSA-N 0 0 213.030 2.652 40 0 BFABRN CCCCC(=O)[C@H](CCC)C(=O)OCC ZINC000022065616 343038657 /nfs/dbraw/zinc/03/86/57/343038657.db2.gz DUPHRBMRCNWSGR-JTQLQIEISA-N 0 0 214.305 2.725 40 0 in-vitro BFABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NC ZINC000022519566 343050630 /nfs/dbraw/zinc/05/06/30/343050630.db2.gz TUKHELVOKCZDNS-ZDUSSCGKSA-N 0 0 243.306 2.743 40 0 BFABRN O=C(c1ccc(F)cc1F)N1CCCCC1 ZINC000028210716 343127560 /nfs/dbraw/zinc/12/75/60/343127560.db2.gz SOEDGDNMMJFFHF-UHFFFAOYSA-N 0 0 225.238 2.591 40 0 BFABRN COc1ccc(O)c(C(=O)Cc2ccccc2)c1 ZINC000000158054 187244249 /nfs/dbraw/zinc/24/42/49/187244249.db2.gz QPZPDEQXYWACLE-UHFFFAOYSA-N 0 0 242.274 2.826 40 0 BFABRN CC(=O)C1=C(O)C[C@@H](c2ccccc2)CC1 ZINC000003194819 187245820 /nfs/dbraw/zinc/24/58/20/187245820.db2.gz JTWJDOHDQKMEDY-STQMWFEESA-N 0 0 216.280 2.728 40 0 BFABRN CC(=O)OCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C ZINC000003846172 187246705 /nfs/dbraw/zinc/24/67/05/187246705.db2.gz ULLVLIKQBNKVSQ-TVQRCGJNSA-N 0 0 226.316 2.581 40 0 BFABRN CC(=O)OCCCCCNc1ccccc1 ZINC000001702701 187245374 /nfs/dbraw/zinc/24/53/74/187245374.db2.gz ZOLBHIGRRJZIDM-UHFFFAOYSA-N 0 0 221.300 2.832 40 0 BFABRN Cc1cnc2cc(Br)ccc2n1 ZINC000032254484 343231150 /nfs/dbraw/zinc/23/11/50/343231150.db2.gz RGJZVJSYOCQGSB-UHFFFAOYSA-N 0 0 223.073 2.701 40 0 BFABRN Cc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000036632825 343321376 /nfs/dbraw/zinc/32/13/76/343321376.db2.gz FFFOUHRGBQPHGH-NSHDSACASA-N 0 0 202.257 2.723 40 0 BFABRN Cc1ccc(Cc2csc(N)n2)cc1 ZINC000036644024 343321895 /nfs/dbraw/zinc/32/18/95/343321895.db2.gz JZCXUMJHQFLGJV-UHFFFAOYSA-N 0 0 204.298 2.625 40 0 BFABRN Cc1cccc(NC(=O)c2cncs2)c1 ZINC000022073172 187254165 /nfs/dbraw/zinc/25/41/65/187254165.db2.gz LHNKDALUXQWEEZ-UHFFFAOYSA-N 0 0 218.281 2.704 40 0 BFABRN COc1ccc(CC(=O)N(C)C2CCCC2)cc1 ZINC000020489162 187254445 /nfs/dbraw/zinc/25/44/45/187254445.db2.gz LDPGICOHLCFZSR-UHFFFAOYSA-N 0 0 247.338 2.639 40 0 BFABRN CN1C(=O)CCS[C@H]1c1ccc(Cl)cc1 ZINC000038351570 343374375 /nfs/dbraw/zinc/37/43/75/343374375.db2.gz AMIDZXQBSZMUEL-NSHDSACASA-N 0 0 241.743 2.934 40 0 BFABRN CSc1nc(C(C)=O)cc2c1CCCC2 ZINC000038997648 343380831 /nfs/dbraw/zinc/38/08/31/343380831.db2.gz GVUDWUFDPRDPFA-UHFFFAOYSA-N 0 0 221.325 2.885 40 0 BFABRN CCOC(=O)/C=C\Sc1ccccc1 ZINC000017023499 343390229 /nfs/dbraw/zinc/39/02/29/343390229.db2.gz PNBDVKSFHMUOKR-HJWRWDBZSA-N 0 0 208.282 2.856 40 0 BFABRN COc1cc(Br)cc2cc[nH]c21 ZINC000088190115 187340096 /nfs/dbraw/zinc/34/00/96/187340096.db2.gz ANRJERWGVMSBRX-UHFFFAOYSA-N 0 0 226.073 2.939 40 0 BFABRN Cc1ccc(N[C@H]2COC(C)(C)C2)c(C)n1 ZINC000335655769 136376178 /nfs/dbraw/zinc/37/61/78/136376178.db2.gz HATZPWSSEYQBHT-LLVKDONJSA-N 0 0 220.316 2.678 40 0 BFABRN Clc1nccnc1N1CCCCCC1 ZINC000043537514 343477113 /nfs/dbraw/zinc/47/71/13/343477113.db2.gz PHKHAKPOHYQFJX-UHFFFAOYSA-N 0 0 211.696 2.510 40 0 BFABRN CC(=O)Nc1onc(C)c1-c1ccccc1 ZINC000020636195 349812518 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236.262 2.823 40 0 BFABRN Cc1ccc2[nH]c(=O)cc(C(F)F)c2c1 ZINC000225758130 526095220 /nfs/dbraw/zinc/09/52/20/526095220.db2.gz IMFYSFBRSMVFBN-UHFFFAOYSA-N 0 0 209.195 2.774 40 0 BFABRN Cc1ncc(CCNC(=O)OC(C)(C)C)s1 ZINC000225748430 527246725 /nfs/dbraw/zinc/24/67/25/527246725.db2.gz BMGDLYCTPGGTCL-UHFFFAOYSA-N 0 0 242.344 2.519 40 0 BFABRN NN[C@H](c1ccccc1)c1cc(F)ccc1F ZINC000161807003 527270381 /nfs/dbraw/zinc/27/03/81/527270381.db2.gz HHGGUNOFOVWMOI-CYBMUJFWSA-N 0 0 234.249 2.518 40 0 BFABRN Nc1cc2c(nccc2-c2ccccc2)[nH]1 ZINC000228972645 527463984 /nfs/dbraw/zinc/46/39/84/527463984.db2.gz GSASOJBUDFZEGF-UHFFFAOYSA-N 0 0 209.252 2.812 40 0 BFABRN Cn1nc(OCC2CCC2)c2ccc(C=O)cc21 ZINC000225773719 527557411 /nfs/dbraw/zinc/55/74/11/527557411.db2.gz SONKJRSDWXJXAH-UHFFFAOYSA-N 0 0 244.294 2.565 40 0 BFABRN CCCCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000006050805 534956440 /nfs/dbraw/zinc/95/64/40/534956440.db2.gz MQPZDZLCNVLHJM-UHFFFAOYSA-N 0 0 245.282 2.865 40 0 BFABRN CCCNC(=S)Nc1ccc2conc2c1 ZINC000409203971 535157772 /nfs/dbraw/zinc/15/77/72/535157772.db2.gz AIYYPSHXRMCAKC-UHFFFAOYSA-N 0 0 235.312 2.524 40 0 BFABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCC(C)C ZINC000113959195 535817724 /nfs/dbraw/zinc/81/77/24/535817724.db2.gz NQUYZQYPSJOMKU-CQSZACIVSA-N 0 0 249.354 2.925 40 0 BFABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCCC1 ZINC000008478475 536045987 /nfs/dbraw/zinc/04/59/87/536045987.db2.gz GCKFYMSLBCGTSE-AWEZNQCLSA-N 0 0 247.338 2.775 40 0 BFABRN COc1ccc(N2CCCSC2=S)cc1 ZINC000001585113 536671697 /nfs/dbraw/zinc/67/16/97/536671697.db2.gz VZRXFLGJMKLUPR-UHFFFAOYSA-N 0 0 239.365 2.923 40 0 BFABRN COc1cccc2[nH]c(C3CC3)c(C)c(=O)c21 ZINC000685938592 635320022 /nfs/dbraw/zinc/32/00/22/635320022.db2.gz PPLOGUATDAJWEK-UHFFFAOYSA-N 0 0 229.279 2.723 40 0 BFABRN CC[C@H]1C[N@H+](Cc2ccccc2)C[C@@]1(C)C(=O)[O-] ZINC000004203352 979321396 /nfs/dbraw/zinc/32/13/96/979321396.db2.gz OCPFMYCAURBSJX-DZGCQCFKSA-N 0 0 247.338 2.619 40 0 BFABRN O=C1CCCC[C@H]1CNc1ccccc1 ZINC000005331837 980053990 /nfs/dbraw/zinc/05/39/90/980053990.db2.gz OFNHBCJJEJFKDQ-NSHDSACASA-N 0 0 203.285 2.858 40 0 BFABRN NN=c1nc[nH]c2sc3c(c21)CCCCCC3 ZINC001582935366 984640732 /nfs/dbraw/zinc/64/07/32/984640732.db2.gz XZDVBEHIIWOKGH-UHFFFAOYSA-N 0 0 248.355 2.636 40 0 BFABRN O=S(O)c1cc(Cl)c(Cl)s1 ZINC001260493159 986418220 /nfs/dbraw/zinc/41/82/20/986418220.db2.gz WXQJKUILPQQMQF-UHFFFAOYSA-N 0 0 216.090 2.508 40 0 BFABRN COc1ccc2c(c1)c(-c1cnco1)cn2C ZINC001504308216 988672724 /nfs/dbraw/zinc/67/27/24/988672724.db2.gz VZHLCBHFLQETTN-UHFFFAOYSA-N 0 0 228.251 2.842 40 0 BFABRN O=Cc1ccc(-n2cc(C=O)c3ccccc32)o1 ZINC000408551902 136207921 /nfs/dbraw/zinc/20/79/21/136207921.db2.gz JNAXHFNCWWJHHT-UHFFFAOYSA-N 0 0 239.230 2.849 40 0 BFABRN CCC(CC)(C[NH+](C)C)OC(=O)c1ccccc1 ZINC000000123387 168321139 /nfs/dbraw/zinc/32/11/39/168321139.db2.gz USBXGBKQSALTNN-UHFFFAOYSA-N 0 0 249.354 2.964 40 0 BFABRN Cc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000000050975 398145613 /nfs/dbraw/zinc/14/56/13/398145613.db2.gz IASYRMWDVBBQJG-UHFFFAOYSA-N 0 0 213.284 2.545 40 0 BFABRN C/C(I)=C\C(F)(F)F ZINC000071790009 398161584 /nfs/dbraw/zinc/16/15/84/398161584.db2.gz FUJZKLJZJYRSNP-NSCUHMNNSA-N 0 0 235.974 2.888 40 0 BFABRN Cc1cc(Cl)n(-c2cccc(O)c2)n1 ZINC000096529726 178071626 /nfs/dbraw/zinc/07/16/26/178071626.db2.gz KSYFVJHEJRPSKZ-UHFFFAOYSA-N 0 0 208.648 2.540 40 0 BFABRN Cc1cc(Cl)nc2nc(Cl)c(N)cc12 ZINC000001857402 178072334 /nfs/dbraw/zinc/07/23/34/178072334.db2.gz YSHQJRLPBAUONC-UHFFFAOYSA-N 0 0 228.082 2.827 40 0 BFABRN Cc1cc(N)ccc1NC(=O)CC(C)(C)C ZINC000008703473 178105243 /nfs/dbraw/zinc/10/52/43/178105243.db2.gz AFXCPAMQUCKRJG-UHFFFAOYSA-N 0 0 220.316 2.952 40 0 BFABRN CCC(CC)C(=O)Nc1nnc(C2CC2)s1 ZINC000028284526 168342239 /nfs/dbraw/zinc/34/22/39/168342239.db2.gz XELOUZBLBJGRMV-UHFFFAOYSA-N 0 0 239.344 2.790 40 0 BFABRN Cc1cc(NC(=O)C2CCCC2)ccc1N ZINC000008703495 178125268 /nfs/dbraw/zinc/12/52/68/178125268.db2.gz UNLJDMRBRGBQEV-UHFFFAOYSA-N 0 0 218.300 2.706 40 0 BFABRN CCC(CC)C(=O)Nc1cc(N)ccc1OC ZINC000008703553 168340767 /nfs/dbraw/zinc/34/07/67/168340767.db2.gz XLTFWGBTTKCYMG-UHFFFAOYSA-N 0 0 236.315 2.652 40 0 BFABRN CCC(CC)C(=O)Nc1ccc(N)cc1OC ZINC000008703537 168341515 /nfs/dbraw/zinc/34/15/15/168341515.db2.gz GNMZUKAUJUOFRO-UHFFFAOYSA-N 0 0 236.315 2.652 40 0 BFABRN Cc1cc(NC(=O)Nc2ccoc2C)no1 ZINC000008133026 178141992 /nfs/dbraw/zinc/14/19/92/178141992.db2.gz NUVMGQIERUOTFR-UHFFFAOYSA-N 0 0 221.216 2.528 40 0 BFABRN Cc1cc(NCc2cc(F)cc(F)c2)n(C)n1 ZINC000161800365 178172039 /nfs/dbraw/zinc/17/20/39/178172039.db2.gz QQRDNCSYVVRXDB-UHFFFAOYSA-N 0 0 237.253 2.619 40 0 BFABRN Cc1cc(NCc2ccco2)nc(Cl)n1 ZINC000052814224 178175024 /nfs/dbraw/zinc/17/50/24/178175024.db2.gz QCRJZDSLDYLRID-UHFFFAOYSA-N 0 0 223.663 2.644 40 0 BFABRN O=C(c1nccs1)c1ccccc1F ZINC000075872257 398229726 /nfs/dbraw/zinc/22/97/26/398229726.db2.gz IRMUXAKARKVRNB-UHFFFAOYSA-N 0 0 207.229 2.513 40 0 BFABRN Cc1cc(OCc2ccc(F)cc2)ncn1 ZINC000098175273 178212699 /nfs/dbraw/zinc/21/26/99/178212699.db2.gz OLUUOGBCALCHEQ-UHFFFAOYSA-N 0 0 218.231 2.503 40 0 BFABRN Cc1cc(Oc2nn(C)cc2N)ccc1Cl ZINC000095836606 178216199 /nfs/dbraw/zinc/21/61/99/178216199.db2.gz AJLMRKMINOGPMP-UHFFFAOYSA-N 0 0 237.690 2.756 40 0 BFABRN Cc1cc(SCCO)nc2ccccc12 ZINC000067949485 178218119 /nfs/dbraw/zinc/21/81/19/178218119.db2.gz NMRRAEXBSIOURK-UHFFFAOYSA-N 0 0 219.309 2.628 40 0 BFABRN CC(C)(C)CNC(=O)c1cccc(F)c1 ZINC000075909883 398230781 /nfs/dbraw/zinc/23/07/81/398230781.db2.gz NEPKCLIOZJEONZ-UHFFFAOYSA-N 0 0 209.264 2.602 40 0 BFABRN Cc1cc([C@H](O)c2ccoc2)ccc1F ZINC000068890735 178264639 /nfs/dbraw/zinc/26/46/39/178264639.db2.gz IUKZZDVGQRAGRK-LBPRGKRZSA-N 0 0 206.216 2.809 40 0 BFABRN Cc1cc2[nH]c3ccc(Cl)cc3n2n1 ZINC000016284076 178276140 /nfs/dbraw/zinc/27/61/40/178276140.db2.gz BEAODNOSUDWSGQ-UHFFFAOYSA-N 0 0 205.648 2.777 40 0 BFABRN Cc1cc2c(c(=O)o1)C=C1CCCC[C@H]1O2 ZINC000026897561 178282326 /nfs/dbraw/zinc/28/23/26/178282326.db2.gz OOEUMXVXNXRROJ-LLVKDONJSA-N 0 0 218.252 2.667 40 0 BFABRN Cc1cc2c(c(C)c1CCO)C(=O)C(C)(C)C2 ZINC000006070275 178282399 /nfs/dbraw/zinc/28/23/99/178282399.db2.gz YKQBHPHKXJKKAB-UHFFFAOYSA-N 0 0 232.323 2.603 40 0 biogenic,in-vitro BFABRN Cc1cc2nc(NC(N)=S)sc2cc1C ZINC000022124883 178301995 /nfs/dbraw/zinc/30/19/95/178301995.db2.gz GQLGDDXRQKYAKQ-UHFFFAOYSA-N 0 0 237.353 2.569 40 0 BFABRN Cc1cc2[nH]c(=NC#N)sc2cc1C ZINC000013638843 178302063 /nfs/dbraw/zinc/30/20/63/178302063.db2.gz DQYGGONDDVQBRF-UHFFFAOYSA-N 0 0 203.270 2.806 40 0 BFABRN CCC(CC)COC(=O)[C@H]1CCCC[C@@H]1O ZINC000001697041 168365708 /nfs/dbraw/zinc/36/57/08/168365708.db2.gz OPXHPQYLEJCRNK-RYUDHWBXSA-N 0 0 228.332 2.517 40 0 BFABRN CCCc1cc(=O)n(-c2ccc(OC)cc2)[nH]1 ZINC000100407026 398249560 /nfs/dbraw/zinc/24/95/60/398249560.db2.gz NSNYQGDWABKNHN-UHFFFAOYSA-N 0 0 232.283 2.588 40 0 BFABRN Cc1ccc(-c2nc(C=O)co2)cc1C ZINC000090669470 178334331 /nfs/dbraw/zinc/33/43/31/178334331.db2.gz WHCYEAQWWRLBRQ-UHFFFAOYSA-N 0 0 201.225 2.771 40 0 BFABRN Cc1ccc(-c2nc(Cl)nc3[nH]cnc32)cc1 ZINC000044909502 178335705 /nfs/dbraw/zinc/33/57/05/178335705.db2.gz SGMSDBDGTWXEAD-UHFFFAOYSA-N 0 0 244.685 2.982 40 0 BFABRN Cc1ccc(-c2noc(-c3cnco3)n2)cc1 ZINC000216617392 178341831 /nfs/dbraw/zinc/34/18/31/178341831.db2.gz XCAIXHVENOVWSX-UHFFFAOYSA-N 0 0 227.223 2.700 40 0 BFABRN CCc1c(C)[nH]c2cc(F)ccc2c1=O ZINC000169108934 538946673 /nfs/dbraw/zinc/94/66/73/538946673.db2.gz SYICIAYEHQKANT-UHFFFAOYSA-N 0 0 205.232 2.538 40 0 BFABRN Cc1ccc(C(=O)N2CCCC[C@H]2C)cc1N ZINC000021957393 178386824 /nfs/dbraw/zinc/38/68/24/178386824.db2.gz ISQZYZHJHROFNQ-LLVKDONJSA-N 0 0 232.327 2.592 40 0 BFABRN C[C@H]1CC(C(=O)[O-])C[C@H](C)[NH+]1Cc1ccccc1 ZINC000072206930 259314643 /nfs/dbraw/zinc/31/46/43/259314643.db2.gz XQLOXEGMRWFFRY-RYUDHWBXSA-N 0 0 247.338 2.760 40 0 BFABRN CCC(CC)NC(=O)NC1CCCCC1 ZINC000067742762 168380436 /nfs/dbraw/zinc/38/04/36/168380436.db2.gz IUVPTXVSQDISFR-UHFFFAOYSA-N 0 0 212.337 2.807 40 0 BFABRN CC[C@@H](O)Cc1cc(Cl)ccc1OC ZINC000053784356 342682515 /nfs/dbraw/zinc/68/25/15/342682515.db2.gz JNAWIMKCEOXORD-SNVBAGLBSA-N 0 0 214.692 2.662 40 0 BFABRN CC(=O)N1CCC[C@@H]1c1cccnc1OC(C)C ZINC000072211953 259317136 /nfs/dbraw/zinc/31/71/36/259317136.db2.gz DUPGGCFPGICMFT-CYBMUJFWSA-N 0 0 248.326 2.552 40 0 BFABRN Cc1ccc2c(ccc(CC(=S)[S-])[n+]2C)c1 ZINC000001561356 342702813 /nfs/dbraw/zinc/70/28/13/342702813.db2.gz MPQRVXCNDLDKSH-UHFFFAOYSA-O 0 0 248.396 2.772 40 0 BFABRN O=c1cc(Cl)c(Cl)nn1-c1ccccc1 ZINC000001566886 342703460 /nfs/dbraw/zinc/70/34/60/342703460.db2.gz BMKCLGBWAXSQQL-UHFFFAOYSA-N 0 0 241.077 2.539 40 0 BFABRN O=C(c1ccccc1)[C@@H]1Nc2ccccc2CO1 ZINC000001592867 342704833 /nfs/dbraw/zinc/70/48/33/342704833.db2.gz CFUWUAUHXZIICW-OAHLLOKOSA-N 0 0 239.274 2.838 40 0 BFABRN CN(C)Cc1nc2cccc3cccc([nH]1)c32 ZINC000001607936 342705669 /nfs/dbraw/zinc/70/56/69/342705669.db2.gz ZZVTWGULKUBWQL-UHFFFAOYSA-N 0 0 225.295 2.778 40 0 BFABRN C[C@@]12CCCC[C@H]1C(=O)C2(Cl)Cl ZINC000001618148 342706083 /nfs/dbraw/zinc/70/60/83/342706083.db2.gz STZDLDHQOXCLNP-POYBYMJQSA-N 0 0 207.100 2.940 40 0 BFABRN CCCCCC[C@@H]1OC[C@H](CCCCO)O1 ZINC000001674885 342708149 /nfs/dbraw/zinc/70/81/49/342708149.db2.gz MICLGFWYTNNRFS-QWHCGFSZSA-N 0 0 230.348 2.861 40 0 BFABRN CSc1ncnc(SC)c1Cl ZINC000001676002 342708365 /nfs/dbraw/zinc/70/83/65/342708365.db2.gz AAKJIIQDCNPLKB-UHFFFAOYSA-N 0 0 206.723 2.574 40 0 BFABRN CC1(C)CN(Cc2ccc(Cl)cc2)C1=O ZINC000001742592 342711971 /nfs/dbraw/zinc/71/19/71/342711971.db2.gz ULKTVYWOSPMNCQ-UHFFFAOYSA-N 0 0 223.703 2.708 40 0 BFABRN CCCCCCNP(=O)(OC)OC ZINC000001843063 342712928 /nfs/dbraw/zinc/71/29/28/342712928.db2.gz MEVVWWRBPREKSP-UHFFFAOYSA-N 0 0 209.226 2.557 40 0 BFABRN CCCCC(CC)(C(=O)OCC)C(=O)OCC ZINC000001846018 342712932 /nfs/dbraw/zinc/71/29/32/342712932.db2.gz OPFFBDXXUZAUAK-UHFFFAOYSA-N 0 0 244.331 2.699 40 0 BFABRN Cc1ccc(Nc2ncnc(Cl)c2N)cc1 ZINC000002022012 342714488 /nfs/dbraw/zinc/71/44/88/342714488.db2.gz FBDDGVBGBAHKJJ-UHFFFAOYSA-N 0 0 234.690 2.764 40 0 BFABRN 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