smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]c1cc2c(cc1O)CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@@H]21 ZINC000008665583 181571871 /nfs/dbraw/zinc/57/18/71/181571871.db2.gz PVHIGKNDYZNZIH-KIJMYCCXSA-N 1 2 315.457 4.041 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(F)c(F)c2)no1 ZINC000019119389 182105361 /nfs/dbraw/zinc/10/53/61/182105361.db2.gz LZVKHXTXKXFSLL-QGZVFWFLSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccc(F)c(F)c2)no1 ZINC000019119389 182105363 /nfs/dbraw/zinc/10/53/63/182105363.db2.gz LZVKHXTXKXFSLL-QGZVFWFLSA-N 1 2 306.356 4.379 40 0 DIABLO c1ccc([C@H]2C[C@H]3c4ccccc4OC4(CCCC4)N3[NH2+]2)cc1 ZINC000019171721 182106621 /nfs/dbraw/zinc/10/66/21/182106621.db2.gz XYMAJJUMIAREDB-MSOLQXFVSA-N 1 2 306.409 4.342 40 0 DIABLO Cc1ccc2[nH]c(Cc3ccc(Br)cc3)[nH+]c2c1 ZINC000038982329 183013648 /nfs/dbraw/zinc/01/36/48/183013648.db2.gz KIKSNMMOIQDNBM-UHFFFAOYSA-N 1 2 301.187 4.225 40 0 DIABLO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223394 257123078 /nfs/dbraw/zinc/12/30/78/257123078.db2.gz ODOZOCFQZUAHTQ-UHFFFAOYSA-N 1 2 316.404 4.257 40 0 DIABLO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223399 257123649 /nfs/dbraw/zinc/12/36/49/257123649.db2.gz AFUNFNXSBFZBPJ-OAQYLSRUSA-N 1 2 318.420 4.108 40 0 DIABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072213262 257126567 /nfs/dbraw/zinc/12/65/67/257126567.db2.gz FLANQMQAPSNJGZ-GOSISDBHSA-N 1 2 323.440 4.127 40 0 DIABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213747 257126625 /nfs/dbraw/zinc/12/66/25/257126625.db2.gz RDPCFKKATKVQLW-HNNXBMFYSA-N 1 2 317.433 4.118 40 0 DIABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072213406 257127287 /nfs/dbraw/zinc/12/72/87/257127287.db2.gz HUTITWSVNHJLQT-MAUKXSAKSA-N 1 2 323.440 4.269 40 0 DIABLO COC(=O)c1cccc(Nc2cc[nH+]c3c(C)cc(F)cc23)c1 ZINC000064874764 257127925 /nfs/dbraw/zinc/12/79/25/257127925.db2.gz KCEJWVMZOBCRPA-UHFFFAOYSA-N 1 2 310.328 4.213 40 0 DIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(C(C)C)cc1)C2 ZINC000409197511 257221106 /nfs/dbraw/zinc/22/11/06/257221106.db2.gz HKRHSPWJAYEFPE-UHFFFAOYSA-N 1 2 322.452 4.381 40 0 DIABLO O=C(c1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000031924219 563441081 /nfs/dbraw/zinc/44/10/81/563441081.db2.gz SQQWTTDNPOMJNY-HXUWFJFHSA-N 1 2 301.389 4.400 40 0 DIABLO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccncc1 ZINC000000506051 563769685 /nfs/dbraw/zinc/76/96/85/563769685.db2.gz UNUXOBIFMIGIQT-FQEVSTJZSA-N 1 2 314.392 4.468 40 0 DIABLO Fc1ccccc1C[N@@H+]1CCCC[C@@H]1c1ncn2ccsc12 ZINC000257229222 563790446 /nfs/dbraw/zinc/79/04/46/563790446.db2.gz FXGIDOOJXUTDHF-OAHLLOKOSA-N 1 2 315.417 4.262 40 0 DIABLO Fc1ccccc1C[N@H+]1CCCC[C@@H]1c1ncn2ccsc12 ZINC000257229222 563790450 /nfs/dbraw/zinc/79/04/50/563790450.db2.gz FXGIDOOJXUTDHF-OAHLLOKOSA-N 1 2 315.417 4.262 40 0 DIABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@H+]1CCCC[C@H]1C ZINC000216866678 563856441 /nfs/dbraw/zinc/85/64/41/563856441.db2.gz SWYFPYSFNCHKLZ-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@@H+]1CCCC[C@H]1C ZINC000216866678 563856443 /nfs/dbraw/zinc/85/64/43/563856443.db2.gz SWYFPYSFNCHKLZ-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO CCCCCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226253618 563913411 /nfs/dbraw/zinc/91/34/11/563913411.db2.gz OYVWAYHVRRCPEO-AWEZNQCLSA-N 1 2 303.450 4.166 40 0 DIABLO CCCCCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226253618 563913412 /nfs/dbraw/zinc/91/34/12/563913412.db2.gz OYVWAYHVRRCPEO-AWEZNQCLSA-N 1 2 303.450 4.166 40 0 DIABLO Brc1cc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000095097543 563931009 /nfs/dbraw/zinc/93/10/09/563931009.db2.gz VDEQMKIUQRKUSF-UHFFFAOYSA-N 1 2 308.244 4.069 40 0 DIABLO Brc1cc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095097543 563931010 /nfs/dbraw/zinc/93/10/10/563931010.db2.gz VDEQMKIUQRKUSF-UHFFFAOYSA-N 1 2 308.244 4.069 40 0 DIABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1C ZINC000329020352 563960096 /nfs/dbraw/zinc/96/00/96/563960096.db2.gz OBMJRFUTMCDQJX-UHFFFAOYSA-N 1 2 310.445 4.925 40 0 DIABLO Cc1ccc([C@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095534166 185379261 /nfs/dbraw/zinc/37/92/61/185379261.db2.gz UDNZQGHCLQMZIX-KRWDZBQOSA-N 1 2 320.440 4.126 40 0 DIABLO Cc1cc(C)cc(C[N@@H+]2CCn3c(-c4ccsc4)cnc3C2)c1 ZINC000306132098 231087494 /nfs/dbraw/zinc/08/74/94/231087494.db2.gz KYJJPCTUEXXLCJ-UHFFFAOYSA-N 1 2 323.465 4.244 40 0 DIABLO Cc1cc(C)cc(C[N@H+]2CCn3c(-c4ccsc4)cnc3C2)c1 ZINC000306132098 231087496 /nfs/dbraw/zinc/08/74/96/231087496.db2.gz KYJJPCTUEXXLCJ-UHFFFAOYSA-N 1 2 323.465 4.244 40 0 DIABLO [NH3+][C@@H]1Nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2S1 ZINC000004944086 181176902 /nfs/dbraw/zinc/17/69/02/181176902.db2.gz INSSOXOZBWQOKI-GOSISDBHSA-N 1 2 318.405 4.143 40 0 DIABLO c1ccc([C@@H]2C[C@@H]3c4ccccc4OC4(CCCC4)N3[NH2+]2)cc1 ZINC000019171719 182106834 /nfs/dbraw/zinc/10/68/34/182106834.db2.gz XYMAJJUMIAREDB-ZWKOTPCHSA-N 1 2 306.409 4.342 40 0 DIABLO c1ccc([C@H]2C[C@@H]3c4ccccc4OC4(CCCC4)N3[NH2+]2)cc1 ZINC000019171724 182106887 /nfs/dbraw/zinc/10/68/87/182106887.db2.gz XYMAJJUMIAREDB-QZTJIDSGSA-N 1 2 306.409 4.342 40 0 DIABLO Fc1ccccc1C[NH2+][C@H](Cc1cccs1)c1nccs1 ZINC000019349517 182118159 /nfs/dbraw/zinc/11/81/59/182118159.db2.gz DPRFBGDIIXOCLY-OAHLLOKOSA-N 1 2 318.442 4.417 40 0 DIABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N(C)Cc1ccccc1 ZINC000072222361 257123483 /nfs/dbraw/zinc/12/34/83/257123483.db2.gz YQHLACDBUJLJPI-FQEVSTJZSA-N 1 2 318.420 4.108 40 0 DIABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213836 257126005 /nfs/dbraw/zinc/12/60/05/257126005.db2.gz LEFPAPMFZAFVBG-HNNXBMFYSA-N 1 2 317.433 4.118 40 0 DIABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213846 257126260 /nfs/dbraw/zinc/12/62/60/257126260.db2.gz VCWRQNASWUEWCY-SFHVURJKSA-N 1 2 321.424 4.023 40 0 DIABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213906 257126691 /nfs/dbraw/zinc/12/66/91/257126691.db2.gz UHCMYHIMYHNNKH-SFHVURJKSA-N 1 2 321.424 4.023 40 0 DIABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3ccc(F)cc23)cc1 ZINC000032607021 257129521 /nfs/dbraw/zinc/12/95/21/257129521.db2.gz IDNRGDVXNJFUJR-UHFFFAOYSA-N 1 2 310.328 4.294 40 0 DIABLO COc1ccccc1-c1ccccc1C[N@H+](C)Cc1cc(C)[nH]n1 ZINC000036752893 563457382 /nfs/dbraw/zinc/45/73/82/563457382.db2.gz TVGRGEXIPXUVIW-UHFFFAOYSA-N 1 2 321.424 4.026 40 0 DIABLO COc1ccccc1-c1ccccc1C[N@@H+](C)Cc1cc(C)[nH]n1 ZINC000036752893 563457387 /nfs/dbraw/zinc/45/73/87/563457387.db2.gz TVGRGEXIPXUVIW-UHFFFAOYSA-N 1 2 321.424 4.026 40 0 DIABLO Nc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(C2CC2)[nH+]1 ZINC000049467634 563467708 /nfs/dbraw/zinc/46/77/08/563467708.db2.gz GHEPZHGUNWOVJO-UHFFFAOYSA-N 1 2 318.380 4.472 40 0 DIABLO CC[N@H+](CCCNC(=O)c1cc(C)ccc1C)c1ccc(C)cc1 ZINC000225054308 563747485 /nfs/dbraw/zinc/74/74/85/563747485.db2.gz CKVXNLGZQLVOJG-UHFFFAOYSA-N 1 2 324.468 4.258 40 0 DIABLO CC[N@@H+](CCCNC(=O)c1cc(C)ccc1C)c1ccc(C)cc1 ZINC000225054308 563747488 /nfs/dbraw/zinc/74/74/88/563747488.db2.gz CKVXNLGZQLVOJG-UHFFFAOYSA-N 1 2 324.468 4.258 40 0 DIABLO S=C(Nc1cc[nH+]cc1)NC(c1ccccc1)c1ccccc1 ZINC000225178949 563750189 /nfs/dbraw/zinc/75/01/89/563750189.db2.gz GLJSZXWPTMLDIU-UHFFFAOYSA-N 1 2 319.433 4.158 40 0 DIABLO C[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(C(C)(C)C)cc1 ZINC000225409241 563753854 /nfs/dbraw/zinc/75/38/54/563753854.db2.gz AYQXZZJUHLRRSJ-ZDUSSCGKSA-N 1 2 313.470 4.427 40 0 DIABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CC)n1 ZINC000329030292 563833997 /nfs/dbraw/zinc/83/39/97/563833997.db2.gz QCNXTRXKXNNZRF-CQSZACIVSA-N 1 2 324.472 4.023 40 0 DIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 ZINC000226261132 563913202 /nfs/dbraw/zinc/91/32/02/563913202.db2.gz NDPOFNORDAWWGB-UHFFFAOYSA-N 1 2 317.820 4.021 40 0 DIABLO C[C@@H]1CCCN(P(c2ccccc2)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000016911673 563922827 /nfs/dbraw/zinc/92/28/27/563922827.db2.gz RTEVWEPQWAUGNR-IAGOWNOFSA-N 1 2 304.418 4.088 40 0 DIABLO C[C@@H]1CCCN(P(c2ccccc2)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000016911673 563922828 /nfs/dbraw/zinc/92/28/28/563922828.db2.gz RTEVWEPQWAUGNR-IAGOWNOFSA-N 1 2 304.418 4.088 40 0 DIABLO CC(C)(C)Nc1nc(Nc2cccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000328961530 563959635 /nfs/dbraw/zinc/95/96/35/563959635.db2.gz BDQBQXDQAOKYEA-UHFFFAOYSA-N 1 2 318.371 4.586 40 0 DIABLO CC(C)(C)Nc1nc(Nc2cc(F)ccc2F)cc(C2CC2)[nH+]1 ZINC000329027367 563959751 /nfs/dbraw/zinc/95/97/51/563959751.db2.gz PSDZGGCMFGIWGB-UHFFFAOYSA-N 1 2 318.371 4.586 40 0 DIABLO CCNc1nc(Nc2ccc(C(C)C)c(C)c2)cc(C2CC2)[nH+]1 ZINC000329003862 563959912 /nfs/dbraw/zinc/95/99/12/563959912.db2.gz KOPMWKYIHZVXGI-UHFFFAOYSA-N 1 2 310.445 4.961 40 0 DIABLO CNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328964498 563959950 /nfs/dbraw/zinc/95/99/50/563959950.db2.gz BUSRAKTVJHBZPO-UHFFFAOYSA-N 1 2 310.788 4.582 40 0 DIABLO Cc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095534167 185379400 /nfs/dbraw/zinc/37/94/00/185379400.db2.gz UDNZQGHCLQMZIX-QGZVFWFLSA-N 1 2 320.440 4.126 40 0 DIABLO N=C1[NH+]=C(N2CCCC2)S/C1=C/c1ccc2ccccc2c1O ZINC000016526019 182048510 /nfs/dbraw/zinc/04/85/10/182048510.db2.gz GGJKRVXKBAUGHR-MAUHWUFLSA-N 1 2 323.421 4.062 40 0 DIABLO C[C@@H]1CCCN(P(c2ccccc2)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000017023703 182068361 /nfs/dbraw/zinc/06/83/61/182068361.db2.gz RTEVWEPQWAUGNR-QRTHJKPMSA-N 1 2 304.418 4.088 40 0 DIABLO C[C@@H]1CCCN(P(c2ccccc2)[N@H+]2CCC[C@H](C)C2)C1 ZINC000017023703 182068362 /nfs/dbraw/zinc/06/83/62/182068362.db2.gz RTEVWEPQWAUGNR-QRTHJKPMSA-N 1 2 304.418 4.088 40 0 DIABLO C[C@@H]1CCC[N@@H+](P(c2ccccc2)N2CCC[C@H](C)C2)C1 ZINC000017023703 182068363 /nfs/dbraw/zinc/06/83/63/182068363.db2.gz RTEVWEPQWAUGNR-QRTHJKPMSA-N 1 2 304.418 4.088 40 0 DIABLO C[C@@H]1CCC[N@H+](P(c2ccccc2)N2CCC[C@H](C)C2)C1 ZINC000017023703 182068364 /nfs/dbraw/zinc/06/83/64/182068364.db2.gz RTEVWEPQWAUGNR-QRTHJKPMSA-N 1 2 304.418 4.088 40 0 DIABLO Fc1cccc([C@@H]2[NH2+][C@H](c3nccs3)Cc3ccsc32)c1 ZINC000019294320 182113300 /nfs/dbraw/zinc/11/33/00/182113300.db2.gz YZNOXYXVGZBUEH-KBPBESRZSA-N 1 2 316.426 4.320 40 0 DIABLO Fc1ccccc1C[NH2+][C@H](Cc1ccsc1)c1nccs1 ZINC000019349527 182117552 /nfs/dbraw/zinc/11/75/52/182117552.db2.gz DFXKXUJANXVYSY-OAHLLOKOSA-N 1 2 318.442 4.417 40 0 DIABLO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(F)cc2)[NH2+][C@@H]1c1ccc(F)cc1 ZINC000057061310 184026340 /nfs/dbraw/zinc/02/63/40/184026340.db2.gz ADBLCXKVLSFZLV-BMEPFDOTSA-N 1 2 315.363 4.192 40 0 DIABLO Cc1cc(N(C)c2ccccc2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223345 257123659 /nfs/dbraw/zinc/12/36/59/257123659.db2.gz YYQLNPXAONEBQO-HXUWFJFHSA-N 1 2 304.393 4.240 40 0 DIABLO Cc1cc(N2CCc3ccccc32)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223947 257123735 /nfs/dbraw/zinc/12/37/35/257123735.db2.gz IXTPCCHYNBDDSQ-OAQYLSRUSA-N 1 2 316.404 4.166 40 0 DIABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213499 257125854 /nfs/dbraw/zinc/12/58/54/257125854.db2.gz PZIHCZVHGJDIED-HIFRSBDPSA-N 1 2 319.449 4.364 40 0 DIABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213807 257126630 /nfs/dbraw/zinc/12/66/30/257126630.db2.gz GMNXDSLOJSEAIA-HNNXBMFYSA-N 1 2 317.433 4.118 40 0 DIABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213387 257126906 /nfs/dbraw/zinc/12/69/06/257126906.db2.gz JBPWDTAUZLKHIK-HIFRSBDPSA-N 1 2 319.449 4.364 40 0 DIABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072213403 257127278 /nfs/dbraw/zinc/12/72/78/257127278.db2.gz HUTITWSVNHJLQT-QAPCUYQASA-N 1 2 323.440 4.269 40 0 DIABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3ccc(F)cc23)c1 ZINC000034925926 257129921 /nfs/dbraw/zinc/12/99/21/257129921.db2.gz DENODAOEXFOQRH-UHFFFAOYSA-N 1 2 310.328 4.294 40 0 DIABLO CC[NH2+]c1cc2c(cc1O)CC[C@@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@@H]21 ZINC000008666308 563348786 /nfs/dbraw/zinc/34/87/86/563348786.db2.gz PVHIGKNDYZNZIH-SENONWEKSA-N 1 2 315.457 4.041 40 0 DIABLO CC(C)(Cc1nc2ccccc2[nH]1)Cc1[nH]c2ccccc2[nH+]1 ZINC000013215263 563379593 /nfs/dbraw/zinc/37/95/93/563379593.db2.gz CBTAYQCYAPBHEU-UHFFFAOYSA-N 1 2 304.397 4.251 40 0 DIABLO CCc1[nH+]cc([C@](C)(O)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000013281773 563379801 /nfs/dbraw/zinc/37/98/01/563379801.db2.gz GHYMSNSQIZIJJD-OAQYLSRUSA-N 1 2 320.436 4.058 40 0 DIABLO CCCC[NH2+][C@@H](c1ccc(C=O)cc1)C(Cl)(Cl)Cl ZINC000031938612 563441197 /nfs/dbraw/zinc/44/11/97/563441197.db2.gz VTUBCGHFOSQWHR-LBPRGKRZSA-N 1 2 308.636 4.300 40 0 DIABLO Cc1[nH+]c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2n1C ZINC000074978203 563459178 /nfs/dbraw/zinc/45/91/78/563459178.db2.gz WAPURXUORRMXQQ-UHFFFAOYSA-N 1 2 314.776 4.179 40 0 DIABLO Cc1ccc(C2(NC(=S)Nc3cc[nH+]cc3)CCCC2)cc1 ZINC000225874310 563765852 /nfs/dbraw/zinc/76/58/52/563765852.db2.gz XNPYPGLDSCBGJF-UHFFFAOYSA-N 1 2 311.454 4.146 40 0 DIABLO Cc1cccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)c1 ZINC000226254296 563913401 /nfs/dbraw/zinc/91/34/01/563913401.db2.gz NKMMDQASZIFFOJ-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1cccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)c1 ZINC000226254296 563913402 /nfs/dbraw/zinc/91/34/02/563913402.db2.gz NKMMDQASZIFFOJ-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccccc1Cl ZINC000226261192 201770425 /nfs/dbraw/zinc/77/04/25/201770425.db2.gz HGSMUBSWQJJNQR-UHFFFAOYSA-N 1 2 317.820 4.021 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cc(F)ccc2F)on1 ZINC000019120221 182105336 /nfs/dbraw/zinc/10/53/36/182105336.db2.gz LKTNTEDFGNGMEE-INIZCTEOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cc(F)ccc2F)on1 ZINC000019120221 182105337 /nfs/dbraw/zinc/10/53/37/182105337.db2.gz LKTNTEDFGNGMEE-INIZCTEOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cc(F)ccc2F)on1 ZINC000019120224 182105457 /nfs/dbraw/zinc/10/54/57/182105457.db2.gz LKTNTEDFGNGMEE-MRXNPFEDSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cc(F)ccc2F)on1 ZINC000019120224 182105459 /nfs/dbraw/zinc/10/54/59/182105459.db2.gz LKTNTEDFGNGMEE-MRXNPFEDSA-N 1 2 306.356 4.379 40 0 DIABLO Fc1ccccc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1 ZINC000019349525 182117857 /nfs/dbraw/zinc/11/78/57/182117857.db2.gz DFXKXUJANXVYSY-HNNXBMFYSA-N 1 2 318.442 4.417 40 0 DIABLO Cc1cc(C[N@@H+](C)Cc2cccc(-c3ccc(F)cc3)c2)n[nH]1 ZINC000019658534 182135513 /nfs/dbraw/zinc/13/55/13/182135513.db2.gz GBBCGOPABYYZDL-UHFFFAOYSA-N 1 2 309.388 4.156 40 0 DIABLO Cc1cc(C[N@H+](C)Cc2cccc(-c3ccc(F)cc3)c2)n[nH]1 ZINC000019658534 182135514 /nfs/dbraw/zinc/13/55/14/182135514.db2.gz GBBCGOPABYYZDL-UHFFFAOYSA-N 1 2 309.388 4.156 40 0 DIABLO CCc1cccc2cc3c(nc21)OCC[N@H+](Cc1ccccc1)C3 ZINC000057712445 184048829 /nfs/dbraw/zinc/04/88/29/184048829.db2.gz UWCZNWOBSICUIE-UHFFFAOYSA-N 1 2 318.420 4.192 40 0 DIABLO CCc1cccc2cc3c(nc21)OCC[N@@H+](Cc1ccccc1)C3 ZINC000057712445 184048831 /nfs/dbraw/zinc/04/88/31/184048831.db2.gz UWCZNWOBSICUIE-UHFFFAOYSA-N 1 2 318.420 4.192 40 0 DIABLO Cc1ccc2cc3c(nc2c1)O[C@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000057712474 184048918 /nfs/dbraw/zinc/04/89/18/184048918.db2.gz YXWGLFPPMNLQRO-MRXNPFEDSA-N 1 2 318.420 4.326 40 0 DIABLO Cc1ccc2cc3c(nc2c1)O[C@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000057712474 184048920 /nfs/dbraw/zinc/04/89/20/184048920.db2.gz YXWGLFPPMNLQRO-MRXNPFEDSA-N 1 2 318.420 4.326 40 0 DIABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1NCc1ccccc1 ZINC000072222334 257123454 /nfs/dbraw/zinc/12/34/54/257123454.db2.gz ZRZWRTIYSIMIMU-IBGZPJMESA-N 1 2 304.393 4.084 40 0 DIABLO Cc1[nH+]c(N(C)c2ccccc2)ccc1[C@@H](O)c1ccccc1 ZINC000072224388 257123816 /nfs/dbraw/zinc/12/38/16/257123816.db2.gz UESGYDBROIBEGF-FQEVSTJZSA-N 1 2 304.393 4.240 40 0 DIABLO CCCN(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCCC2)cn1 ZINC000072214689 257126114 /nfs/dbraw/zinc/12/61/14/257126114.db2.gz VMNWBHRLTOOSKG-UHFFFAOYSA-N 1 2 317.433 4.206 40 0 DIABLO CCCCNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213595 257126356 /nfs/dbraw/zinc/12/63/56/257126356.db2.gz XNACDHSQXSWHQC-HNNXBMFYSA-N 1 2 319.449 4.366 40 0 DIABLO CC(C)CNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213322 257126480 /nfs/dbraw/zinc/12/64/80/257126480.db2.gz YAGXAJMZIPVWFF-GOSISDBHSA-N 1 2 323.440 4.127 40 0 DIABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072213261 257127232 /nfs/dbraw/zinc/12/72/32/257127232.db2.gz FLANQMQAPSNJGZ-SFHVURJKSA-N 1 2 323.440 4.127 40 0 DIABLO CCCNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213230 257127314 /nfs/dbraw/zinc/12/73/14/257127314.db2.gz GVIIYQYMWCEGDO-SFHVURJKSA-N 1 2 323.440 4.271 40 0 DIABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213390 257127602 /nfs/dbraw/zinc/12/76/02/257127602.db2.gz JBPWDTAUZLKHIK-DZGCQCFKSA-N 1 2 319.449 4.364 40 0 DIABLO CC(C)Nc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012220243 563364794 /nfs/dbraw/zinc/36/47/94/563364794.db2.gz NIZNFQZBUACZGC-UHFFFAOYSA-N 1 2 313.792 4.007 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2c(F)cccc2F)on1 ZINC000012337045 563366438 /nfs/dbraw/zinc/36/64/38/563366438.db2.gz PNOCBCWQYSWQLY-MRXNPFEDSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@H+]2Cc2c(F)cccc2F)on1 ZINC000012337045 563366440 /nfs/dbraw/zinc/36/64/40/563366440.db2.gz PNOCBCWQYSWQLY-MRXNPFEDSA-N 1 2 306.356 4.379 40 0 DIABLO CCOc1ccc(-c2nc(Nc3ccc(F)cc3)cc(N)[nH+]2)cc1 ZINC000049468042 563467157 /nfs/dbraw/zinc/46/71/57/563467157.db2.gz CCWREPRUXSOOOK-UHFFFAOYSA-N 1 2 324.359 4.007 40 0 DIABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(F)cc3)[nH+]2)cc1 ZINC000049468042 563467159 /nfs/dbraw/zinc/46/71/59/563467159.db2.gz CCWREPRUXSOOOK-UHFFFAOYSA-N 1 2 324.359 4.007 40 0 DIABLO CC[N@H+](CCCNC(=O)c1ccc(C)cc1C)c1ccc(C)cc1 ZINC000225058423 563748090 /nfs/dbraw/zinc/74/80/90/563748090.db2.gz UHZGHXAWROGJDS-UHFFFAOYSA-N 1 2 324.468 4.258 40 0 DIABLO CC[N@@H+](CCCNC(=O)c1ccc(C)cc1C)c1ccc(C)cc1 ZINC000225058423 563748091 /nfs/dbraw/zinc/74/80/91/563748091.db2.gz UHZGHXAWROGJDS-UHFFFAOYSA-N 1 2 324.468 4.258 40 0 DIABLO C[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(C(C)(C)C)cc1 ZINC000225409199 563754114 /nfs/dbraw/zinc/75/41/14/563754114.db2.gz AYQXZZJUHLRRSJ-CYBMUJFWSA-N 1 2 313.470 4.427 40 0 DIABLO Cc1ccccc1C(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226254275 563913392 /nfs/dbraw/zinc/91/33/92/563913392.db2.gz WNJFPZZHGPDLJK-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1ccccc1C(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226254275 563913393 /nfs/dbraw/zinc/91/33/93/563913393.db2.gz WNJFPZZHGPDLJK-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO CC(C)(C)Nc1nc(Nc2ccc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329016405 563959608 /nfs/dbraw/zinc/95/96/08/563959608.db2.gz NFSRVIYYBAGINP-UHFFFAOYSA-N 1 2 318.371 4.586 40 0 DIABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329043670 563960125 /nfs/dbraw/zinc/96/01/25/563960125.db2.gz STMYFKFZJGPJFL-UHFFFAOYSA-N 1 2 310.445 4.925 40 0 DIABLO C[C@@H]1CCC[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000329580135 1044012256 /nfs/dbraw/zinc/01/22/56/1044012256.db2.gz POWLBZQCDYJROV-PBHICJAKSA-N 1 2 322.412 4.275 40 0 DIABLO C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cc[nH+]cc1 ZINC000225662030 186287799 /nfs/dbraw/zinc/28/77/99/186287799.db2.gz FUCLSBNYCJBPJB-CQSZACIVSA-N 1 2 313.470 4.124 40 0 DIABLO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2c(F)cccc2Cl)n1 ZINC000019291047 182113305 /nfs/dbraw/zinc/11/33/05/182113305.db2.gz FTLHJZMIMWZYGQ-QGZVFWFLSA-N 1 2 321.827 4.330 40 0 DIABLO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2c(F)cccc2Cl)n1 ZINC000019291047 182113308 /nfs/dbraw/zinc/11/33/08/182113308.db2.gz FTLHJZMIMWZYGQ-QGZVFWFLSA-N 1 2 321.827 4.330 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2c(F)cccc2F)no1 ZINC000019119374 182105034 /nfs/dbraw/zinc/10/50/34/182105034.db2.gz IQBXYQIGDLPDSN-KRWDZBQOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2c(F)cccc2F)no1 ZINC000019119374 182105036 /nfs/dbraw/zinc/10/50/36/182105036.db2.gz IQBXYQIGDLPDSN-KRWDZBQOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(F)c2F)no1 ZINC000019119431 182105256 /nfs/dbraw/zinc/10/52/56/182105256.db2.gz IIBMZKQLZUKESU-MRXNPFEDSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccc(F)c2F)no1 ZINC000019119431 182105257 /nfs/dbraw/zinc/10/52/57/182105257.db2.gz IIBMZKQLZUKESU-MRXNPFEDSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cccc2cc3c(nc12)O[C@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000057712468 184048812 /nfs/dbraw/zinc/04/88/12/184048812.db2.gz GFUZJEWAPQQGHC-MRXNPFEDSA-N 1 2 318.420 4.326 40 0 DIABLO Cc1cccc2cc3c(nc12)O[C@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000057712468 184048815 /nfs/dbraw/zinc/04/88/15/184048815.db2.gz GFUZJEWAPQQGHC-MRXNPFEDSA-N 1 2 318.420 4.326 40 0 DIABLO CCCN(CCC)c1[nH+]cc(CNC(=O)OC(C)(C)C)cc1C ZINC000072222245 257124623 /nfs/dbraw/zinc/12/46/23/257124623.db2.gz DPBWQQVDGKWEOR-UHFFFAOYSA-N 1 2 321.465 4.041 40 0 DIABLO CCCCNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213665 257126138 /nfs/dbraw/zinc/12/61/38/257126138.db2.gz VMZHCBLWAAUCLM-SFHVURJKSA-N 1 2 323.440 4.271 40 0 DIABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213835 257126641 /nfs/dbraw/zinc/12/66/41/257126641.db2.gz LEFPAPMFZAFVBG-OAHLLOKOSA-N 1 2 317.433 4.118 40 0 DIABLO CCOc1cc2[nH+]ccc(Oc3cccc(N)c3)c2cc1OCC ZINC000064875318 257128374 /nfs/dbraw/zinc/12/83/74/257128374.db2.gz OJDNLLHVZLOMJU-UHFFFAOYSA-N 1 2 324.380 4.407 40 0 DIABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(C)cc3)[nH+]2)cc1 ZINC000049468027 563467427 /nfs/dbraw/zinc/46/74/27/563467427.db2.gz NDUKDULISREQFJ-UHFFFAOYSA-N 1 2 320.396 4.177 40 0 DIABLO CCOc1ccc(-c2nc(Nc3ccc(C)cc3)cc(N)[nH+]2)cc1 ZINC000049468027 563467432 /nfs/dbraw/zinc/46/74/32/563467432.db2.gz NDUKDULISREQFJ-UHFFFAOYSA-N 1 2 320.396 4.177 40 0 DIABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CC)n1 ZINC000329030289 563833419 /nfs/dbraw/zinc/83/34/19/563833419.db2.gz QCNXTRXKXNNZRF-AWEZNQCLSA-N 1 2 324.472 4.023 40 0 DIABLO Cc1cccc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)c1 ZINC000226254322 563913451 /nfs/dbraw/zinc/91/34/51/563913451.db2.gz UYAHEYMLECJNNS-UHFFFAOYSA-N 1 2 323.440 4.066 40 0 DIABLO CC(C)(C)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328963772 563959577 /nfs/dbraw/zinc/95/95/77/563959577.db2.gz BQUDGRMIFVHBQR-UHFFFAOYSA-N 1 2 316.836 4.961 40 0 DIABLO CC(C)(C)Nc1nc(Nc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329013972 563959653 /nfs/dbraw/zinc/95/96/53/563959653.db2.gz MSZDZURRBJBUOU-UHFFFAOYSA-N 1 2 318.371 4.586 40 0 DIABLO C[N@@H+]1O[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 ZINC000004692051 181137663 /nfs/dbraw/zinc/13/76/63/181137663.db2.gz VQENKECTAMDLLE-XUVXKRRUSA-N 1 2 323.436 4.349 40 0 DIABLO C[N@H+]1O[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 ZINC000004692051 181137665 /nfs/dbraw/zinc/13/76/65/181137665.db2.gz VQENKECTAMDLLE-XUVXKRRUSA-N 1 2 323.436 4.349 40 0 DIABLO C(=Cc1ccccc1)c1cc(CCc2[nH]c3ccccc3[nH+]2)[nH]n1 ZINC000005606668 181263225 /nfs/dbraw/zinc/26/32/25/181263225.db2.gz OWYXAQBXRBXNCS-ZHACJKMWSA-N 1 2 314.392 4.242 40 0 DIABLO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1C(=O)c1ccccc1 ZINC000072224436 257123667 /nfs/dbraw/zinc/12/36/67/257123667.db2.gz TUJRPAUNIROPIE-UHFFFAOYSA-N 1 2 316.404 4.257 40 0 DIABLO CCCCNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213655 257126346 /nfs/dbraw/zinc/12/63/46/257126346.db2.gz DDKZRFDASOQKAW-HNNXBMFYSA-N 1 2 319.449 4.366 40 0 DIABLO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCC2)cn1 ZINC000072215079 257126663 /nfs/dbraw/zinc/12/66/63/257126663.db2.gz JRMREBSOOCXLHH-CYBMUJFWSA-N 1 2 317.433 4.205 40 0 DIABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072213405 257127350 /nfs/dbraw/zinc/12/73/50/257127350.db2.gz HUTITWSVNHJLQT-CRAIPNDOSA-N 1 2 323.440 4.269 40 0 DIABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3cc(F)ccc23)cc1 ZINC000064874563 257128799 /nfs/dbraw/zinc/12/87/99/257128799.db2.gz HNEPHMGIXLACFB-UHFFFAOYSA-N 1 2 310.328 4.294 40 0 DIABLO OC(c1ccccc1)(c1ccccc1)C1=Cc2ccccc2C[NH2+]1 ZINC000002513776 563305048 /nfs/dbraw/zinc/30/50/48/563305048.db2.gz VHJMCOPLIOUGOE-UHFFFAOYSA-N 1 2 313.400 4.067 40 0 DIABLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000036741524 563457472 /nfs/dbraw/zinc/45/74/72/563457472.db2.gz XVONTCFAJAALHW-SNVBAGLBSA-N 1 2 321.829 4.250 40 0 DIABLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000036741524 563457477 /nfs/dbraw/zinc/45/74/77/563457477.db2.gz XVONTCFAJAALHW-SNVBAGLBSA-N 1 2 321.829 4.250 40 0 DIABLO Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)cc1C ZINC000049467923 563467536 /nfs/dbraw/zinc/46/75/36/563467536.db2.gz GANNKJUGJZSKSZ-UHFFFAOYSA-N 1 2 308.360 4.225 40 0 DIABLO Cc1ccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)cc1C ZINC000049467923 563467540 /nfs/dbraw/zinc/46/75/40/563467540.db2.gz GANNKJUGJZSKSZ-UHFFFAOYSA-N 1 2 308.360 4.225 40 0 DIABLO Nc1cc(Nc2ccc(Cl)cc2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467941 563467739 /nfs/dbraw/zinc/46/77/39/563467739.db2.gz XMWANUHNIIFGER-UHFFFAOYSA-N 1 2 314.751 4.262 40 0 DIABLO Nc1cc(Nc2ccc(Cl)cc2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467941 563467741 /nfs/dbraw/zinc/46/77/41/563467741.db2.gz XMWANUHNIIFGER-UHFFFAOYSA-N 1 2 314.751 4.262 40 0 DIABLO Cc1nc(Nc2ccccc2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000243316477 563604598 /nfs/dbraw/zinc/60/45/98/563604598.db2.gz LKTJKPXVCCBTKZ-UHFFFAOYSA-N 1 2 316.408 4.091 40 0 DIABLO Cc1cc(C)c(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)c(C)c1 ZINC000000420268 563608970 /nfs/dbraw/zinc/60/89/70/563608970.db2.gz WLHLLBIXHDIJTL-UHFFFAOYSA-N 1 2 321.424 4.217 40 0 DIABLO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)[nH+]cn1 ZINC000329066874 563834305 /nfs/dbraw/zinc/83/43/05/563834305.db2.gz YDSCFFFVGCRBBH-OAHLLOKOSA-N 1 2 322.456 4.172 40 0 DIABLO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)nc[nH+]1 ZINC000329066874 563834308 /nfs/dbraw/zinc/83/43/08/563834308.db2.gz YDSCFFFVGCRBBH-OAHLLOKOSA-N 1 2 322.456 4.172 40 0 DIABLO Cc1ccccc1C(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226254267 563913446 /nfs/dbraw/zinc/91/34/46/563913446.db2.gz WNJFPZZHGPDLJK-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1ccccc1C(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226254267 563913447 /nfs/dbraw/zinc/91/34/47/563913447.db2.gz WNJFPZZHGPDLJK-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329036649 563959705 /nfs/dbraw/zinc/95/97/05/563959705.db2.gz RKSKNWGMYMIIEB-UHFFFAOYSA-N 1 2 312.392 4.591 40 0 DIABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)ccc1Cl ZINC000328968496 563960128 /nfs/dbraw/zinc/96/01/28/563960128.db2.gz DAIQFJRUPPEXTA-UHFFFAOYSA-N 1 2 316.836 4.880 40 0 DIABLO C[C@H]1CCC[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000329580137 1044013184 /nfs/dbraw/zinc/01/31/84/1044013184.db2.gz POWLBZQCDYJROV-WMLDXEAASA-N 1 2 322.412 4.275 40 0 DIABLO COc1ccc(OC)c(Nc2cc(C)[nH+]c3c(OC)cccc23)c1 ZINC000000303374 180753254 /nfs/dbraw/zinc/75/32/54/180753254.db2.gz QYYLBAKPSHPNAL-UHFFFAOYSA-N 1 2 324.380 4.313 40 0 DIABLO COc1ccc(Cn2c(CC(C)C)[nH+]c3ccccc32)cc1OC ZINC000007542429 181474117 /nfs/dbraw/zinc/47/41/17/181474117.db2.gz VMESRVVWGWTYEH-UHFFFAOYSA-N 1 2 324.424 4.300 40 0 DIABLO Clc1cccc(C[N@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989643 181915960 /nfs/dbraw/zinc/91/59/60/181915960.db2.gz PARFCFKXVFGGCI-UHFFFAOYSA-N 1 2 323.827 4.332 40 0 DIABLO Clc1cccc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)c1 ZINC000013989643 181915963 /nfs/dbraw/zinc/91/59/63/181915963.db2.gz PARFCFKXVFGGCI-UHFFFAOYSA-N 1 2 323.827 4.332 40 0 DIABLO COc1cccc(-c2cccc(C[N@H+](C)Cc3cc(C)[nH]n3)c2)c1 ZINC000019658556 182135405 /nfs/dbraw/zinc/13/54/05/182135405.db2.gz XNQSQHHUVLUMLW-UHFFFAOYSA-N 1 2 321.424 4.026 40 0 DIABLO COc1cccc(-c2cccc(C[N@@H+](C)Cc3cc(C)[nH]n3)c2)c1 ZINC000019658556 182135408 /nfs/dbraw/zinc/13/54/08/182135408.db2.gz XNQSQHHUVLUMLW-UHFFFAOYSA-N 1 2 321.424 4.026 40 0 DIABLO CCc1cccc(C)c1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038856989 183012139 /nfs/dbraw/zinc/01/21/39/183012139.db2.gz ZSQNMFPHAOLLDO-UHFFFAOYSA-N 1 2 319.408 4.055 40 0 DIABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N(C)c1ccccc1 ZINC000072222307 257124262 /nfs/dbraw/zinc/12/42/62/257124262.db2.gz ATANZASDFKJSGE-IBGZPJMESA-N 1 2 304.393 4.240 40 0 DIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213755 257126318 /nfs/dbraw/zinc/12/63/18/257126318.db2.gz SGWUSMMRIGBRFH-SFHVURJKSA-N 1 2 321.424 4.023 40 0 DIABLO CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213516 257126404 /nfs/dbraw/zinc/12/64/04/257126404.db2.gz SCFOKPYATPPPAT-YJBOKZPZSA-N 1 2 323.440 4.269 40 0 DIABLO CC(C)N(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCCC2)cn1 ZINC000072214869 257126700 /nfs/dbraw/zinc/12/67/00/257126700.db2.gz RCWVNRNFIAABAJ-UHFFFAOYSA-N 1 2 317.433 4.205 40 0 DIABLO CCCNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213163 257127605 /nfs/dbraw/zinc/12/76/05/257127605.db2.gz ORJFPMQOBSOSOH-OAHLLOKOSA-N 1 2 319.449 4.366 40 0 DIABLO COC(=O)c1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000034925923 257129439 /nfs/dbraw/zinc/12/94/39/257129439.db2.gz KFOMCDUWQZPFBW-UHFFFAOYSA-N 1 2 312.756 4.418 40 0 DIABLO C[C@H]1CCCN(P(c2ccccc2)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000001737479 563294685 /nfs/dbraw/zinc/29/46/85/563294685.db2.gz RTEVWEPQWAUGNR-IRXDYDNUSA-N 1 2 304.418 4.088 40 0 DIABLO C[C@H]1CCCN(P(c2ccccc2)[N@H+]2CCC[C@H](C)C2)C1 ZINC000001737479 563294686 /nfs/dbraw/zinc/29/46/86/563294686.db2.gz RTEVWEPQWAUGNR-IRXDYDNUSA-N 1 2 304.418 4.088 40 0 DIABLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000036741525 563457329 /nfs/dbraw/zinc/45/73/29/563457329.db2.gz XVONTCFAJAALHW-JTQLQIEISA-N 1 2 321.829 4.250 40 0 DIABLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000036741525 563457332 /nfs/dbraw/zinc/45/73/32/563457332.db2.gz XVONTCFAJAALHW-JTQLQIEISA-N 1 2 321.829 4.250 40 0 DIABLO Cc1[nH+]c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2n1C ZINC000074978201 563459691 /nfs/dbraw/zinc/45/96/91/563459691.db2.gz SEJLMZMEWVVOJK-UHFFFAOYSA-N 1 2 314.776 4.179 40 0 DIABLO CCSc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N)[nH+]1 ZINC000049467499 563467599 /nfs/dbraw/zinc/46/75/99/563467599.db2.gz KNBULEAMZHEZIE-UHFFFAOYSA-N 1 2 315.229 4.221 40 0 DIABLO CCSc1nc(N)cc(Nc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000049467499 563467601 /nfs/dbraw/zinc/46/76/01/563467601.db2.gz KNBULEAMZHEZIE-UHFFFAOYSA-N 1 2 315.229 4.221 40 0 DIABLO Cc1cc(C)cc(NC(=O)CCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000412083 563608331 /nfs/dbraw/zinc/60/83/31/563608331.db2.gz QIRNZFGHBMZBDG-UHFFFAOYSA-N 1 2 321.424 4.299 40 0 DIABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[NH+]1CCC(C)CC1 ZINC000216866531 563712226 /nfs/dbraw/zinc/71/22/26/563712226.db2.gz DJEZPPRUNNZMEX-UHFFFAOYSA-N 1 2 323.440 4.066 40 0 DIABLO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccncc1 ZINC000000506050 563769569 /nfs/dbraw/zinc/76/95/69/563769569.db2.gz UNUXOBIFMIGIQT-HXUWFJFHSA-N 1 2 314.392 4.468 40 0 DIABLO CC[C@H](C)Nc1nc(Nc2c(C)cc(C)cc2C)cc(C2CC2)[nH+]1 ZINC000328983646 563832983 /nfs/dbraw/zinc/83/29/83/563832983.db2.gz HHTHDHPPXRKULX-HNNXBMFYSA-N 1 2 324.472 4.077 40 0 DIABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000216865200 563857178 /nfs/dbraw/zinc/85/71/78/563857178.db2.gz VOGHPBRWGLUIHB-ZIAGYGMSSA-N 1 2 317.477 4.329 40 0 DIABLO Cc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1 ZINC000226254428 563913382 /nfs/dbraw/zinc/91/33/82/563913382.db2.gz OJJFIKZFQDOQPA-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000226254428 563913383 /nfs/dbraw/zinc/91/33/83/563913383.db2.gz OJJFIKZFQDOQPA-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO CCc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226254379 563913421 /nfs/dbraw/zinc/91/34/21/563913421.db2.gz QNQGXPQJJMJQCC-UHFFFAOYSA-N 1 2 323.440 4.074 40 0 DIABLO CNc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329025376 563959920 /nfs/dbraw/zinc/95/99/20/563959920.db2.gz PGMQZDCYBNOJNZ-UHFFFAOYSA-N 1 2 324.815 4.891 40 0 DIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1F ZINC000329053915 563960050 /nfs/dbraw/zinc/96/00/50/563960050.db2.gz VHXQEXZPEBSADY-UHFFFAOYSA-N 1 2 314.408 4.756 40 0 DIABLO CC[C@H](C)Nc1nc(Nc2ccc(F)cc2C)cc(C2CC2)[nH+]1 ZINC000329031345 563960252 /nfs/dbraw/zinc/96/02/52/563960252.db2.gz QISWMRWSJLKSCZ-LBPRGKRZSA-N 1 2 314.408 4.756 40 0 DIABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329068977 563960275 /nfs/dbraw/zinc/96/02/75/563960275.db2.gz YTGXCOWYDGEIAB-LLVKDONJSA-N 1 2 316.836 4.961 40 0 DIABLO O[C@H](C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1Cl ZINC000006499621 181346782 /nfs/dbraw/zinc/34/67/82/181346782.db2.gz XXUOEGZRYHXTRW-GFCCVEGCSA-N 1 2 308.636 4.166 40 0 DIABLO Cc1[nH+]c([C@@H]2CCCCN2C(=O)OC(C)(C)C)c2sccn12 ZINC000257297919 203022213 /nfs/dbraw/zinc/02/22/13/203022213.db2.gz RJIHWPNKSQEKLV-LBPRGKRZSA-N 1 2 321.446 4.166 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(F)c2F)no1 ZINC000019119428 182105428 /nfs/dbraw/zinc/10/54/28/182105428.db2.gz IIBMZKQLZUKESU-INIZCTEOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccc(F)c2F)no1 ZINC000019119428 182105429 /nfs/dbraw/zinc/10/54/29/182105429.db2.gz IIBMZKQLZUKESU-INIZCTEOSA-N 1 2 306.356 4.379 40 0 DIABLO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCCC1 ZINC000072214929 257125810 /nfs/dbraw/zinc/12/58/10/257125810.db2.gz LHQGLWKRMJDLCJ-UHFFFAOYSA-N 1 2 317.433 4.205 40 0 DIABLO CC(C)CNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213321 257125888 /nfs/dbraw/zinc/12/58/88/257125888.db2.gz YAGXAJMZIPVWFF-SFHVURJKSA-N 1 2 323.440 4.127 40 0 DIABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213845 257125947 /nfs/dbraw/zinc/12/59/47/257125947.db2.gz VCWRQNASWUEWCY-GOSISDBHSA-N 1 2 321.424 4.023 40 0 DIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213814 257126364 /nfs/dbraw/zinc/12/63/64/257126364.db2.gz VRJMCMRGPRSSMZ-GOSISDBHSA-N 1 2 321.424 4.023 40 0 DIABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213251 257127337 /nfs/dbraw/zinc/12/73/37/257127337.db2.gz TXZQTBWPZRHKTM-HNNXBMFYSA-N 1 2 319.449 4.222 40 0 DIABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3cc(F)ccc23)c1 ZINC000064874566 257128787 /nfs/dbraw/zinc/12/87/87/257128787.db2.gz FGVOHIZVZCHSCL-UHFFFAOYSA-N 1 2 310.328 4.294 40 0 DIABLO O[C@@H](C[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1Cl ZINC000001593646 563287078 /nfs/dbraw/zinc/28/70/78/563287078.db2.gz XXUOEGZRYHXTRW-LBPRGKRZSA-N 1 2 308.636 4.166 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2c(F)cccc2F)on1 ZINC000012337044 563366609 /nfs/dbraw/zinc/36/66/09/563366609.db2.gz PNOCBCWQYSWQLY-INIZCTEOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2c(F)cccc2F)on1 ZINC000012337044 563366611 /nfs/dbraw/zinc/36/66/11/563366611.db2.gz PNOCBCWQYSWQLY-INIZCTEOSA-N 1 2 306.356 4.379 40 0 DIABLO CCOc1ccc(-c2nc(Nc3cccc(C)c3)cc(N)[nH+]2)cc1 ZINC000049468023 563467457 /nfs/dbraw/zinc/46/74/57/563467457.db2.gz UCVKBOVNGPQXHF-UHFFFAOYSA-N 1 2 320.396 4.177 40 0 DIABLO CCOc1ccc(-c2nc(N)cc(Nc3cccc(C)c3)[nH+]2)cc1 ZINC000049468023 563467461 /nfs/dbraw/zinc/46/74/61/563467461.db2.gz UCVKBOVNGPQXHF-UHFFFAOYSA-N 1 2 320.396 4.177 40 0 DIABLO CCOc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)cc1 ZINC000049467972 563467491 /nfs/dbraw/zinc/46/74/91/563467491.db2.gz LYEZXLOWAXIGDI-UHFFFAOYSA-N 1 2 324.359 4.007 40 0 DIABLO CCOc1ccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)cc1 ZINC000049467972 563467496 /nfs/dbraw/zinc/46/74/96/563467496.db2.gz LYEZXLOWAXIGDI-UHFFFAOYSA-N 1 2 324.359 4.007 40 0 DIABLO CCOc1ccc(-c2nc(Nc3ccccc3F)cc(N)[nH+]2)cc1 ZINC000049468038 563467760 /nfs/dbraw/zinc/46/77/60/563467760.db2.gz VAXBKYZMFOYFKN-UHFFFAOYSA-N 1 2 324.359 4.007 40 0 DIABLO CCOc1ccccc1Nc1cc(N)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467994 563467770 /nfs/dbraw/zinc/46/77/70/563467770.db2.gz UJBKNNWSTZTRRW-UHFFFAOYSA-N 1 2 324.359 4.007 40 0 DIABLO COc1ccccc1C[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569705 563660177 /nfs/dbraw/zinc/66/01/77/563660177.db2.gz SJCRUJZHHHYVJQ-UHFFFAOYSA-N 1 2 324.449 4.354 40 0 DIABLO COc1ccccc1C[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569705 563660178 /nfs/dbraw/zinc/66/01/78/563660178.db2.gz SJCRUJZHHHYVJQ-UHFFFAOYSA-N 1 2 324.449 4.354 40 0 DIABLO Cc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1 ZINC000226254333 563913351 /nfs/dbraw/zinc/91/33/51/563913351.db2.gz CASKQNITLJFEBC-UHFFFAOYSA-N 1 2 323.440 4.066 40 0 DIABLO Cc1cccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)c1 ZINC000226254288 563913465 /nfs/dbraw/zinc/91/34/65/563913465.db2.gz NKMMDQASZIFFOJ-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1cccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)c1 ZINC000226254288 563913466 /nfs/dbraw/zinc/91/34/66/563913466.db2.gz NKMMDQASZIFFOJ-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)[nH+]1 ZINC000328966662 563959914 /nfs/dbraw/zinc/95/99/14/563959914.db2.gz CNMHRQXLOIMLKT-UHFFFAOYSA-N 1 2 310.445 4.827 40 0 DIABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)c(C)c2)cc(C2CC2)[nH+]1 ZINC000329047122 563960313 /nfs/dbraw/zinc/96/03/13/563960313.db2.gz UEWCLIFNTZYCND-GFCCVEGCSA-N 1 2 314.408 4.756 40 0 DIABLO Cc1[nH+]c([C@H]2CCCCN2C(=O)OC(C)(C)C)c2sccn12 ZINC000257297918 203022994 /nfs/dbraw/zinc/02/29/94/203022994.db2.gz RJIHWPNKSQEKLV-GFCCVEGCSA-N 1 2 321.446 4.166 40 0 DIABLO Cc1cc(C)c2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)CCO3 ZINC000057718724 184049345 /nfs/dbraw/zinc/04/93/45/184049345.db2.gz ZWKLYBOXERFNER-UHFFFAOYSA-N 1 2 318.420 4.246 40 0 DIABLO Cc1cc(C)c2nc3c(cc2c1)C[N@H+](Cc1ccccc1)CCO3 ZINC000057718724 184049347 /nfs/dbraw/zinc/04/93/47/184049347.db2.gz ZWKLYBOXERFNER-UHFFFAOYSA-N 1 2 318.420 4.246 40 0 DIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](Cc1ccccc1)C3 ZINC000057710202 184048612 /nfs/dbraw/zinc/04/86/12/184048612.db2.gz VGPGJZCXWQHGGU-UHFFFAOYSA-N 1 2 318.420 4.246 40 0 DIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](Cc1ccccc1)C3 ZINC000057710202 184048614 /nfs/dbraw/zinc/04/86/14/184048614.db2.gz VGPGJZCXWQHGGU-UHFFFAOYSA-N 1 2 318.420 4.246 40 0 DIABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N(C)Cc1ccccc1 ZINC000072222360 257123324 /nfs/dbraw/zinc/12/33/24/257123324.db2.gz YQHLACDBUJLJPI-HXUWFJFHSA-N 1 2 318.420 4.108 40 0 DIABLO Cc1cc(NCc2ccccc2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223367 257123487 /nfs/dbraw/zinc/12/34/87/257123487.db2.gz NMSVTFOWFKFIFE-UHFFFAOYSA-N 1 2 302.377 4.233 40 0 DIABLO Cc1cc(Nc2ccccc2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223311 257123709 /nfs/dbraw/zinc/12/37/09/257123709.db2.gz ILPNEYVDCAPCPQ-UHFFFAOYSA-N 1 2 313.401 4.158 40 0 DIABLO CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213517 257126468 /nfs/dbraw/zinc/12/64/68/257126468.db2.gz SCFOKPYATPPPAT-CRAIPNDOSA-N 1 2 323.440 4.269 40 0 DIABLO CC(C)CNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213312 257126668 /nfs/dbraw/zinc/12/66/68/257126668.db2.gz PDPYBNPLAMKHQB-OAHLLOKOSA-N 1 2 319.449 4.222 40 0 DIABLO COC(=O)c1ccc(Nc2cc[nH+]c3c(C)cc(F)cc23)cc1 ZINC000064874761 257128392 /nfs/dbraw/zinc/12/83/92/257128392.db2.gz JQSXAIOXAVLYJK-UHFFFAOYSA-N 1 2 310.328 4.213 40 0 DIABLO S=C(SNC1CCCCC1)S[NH2+]C1CCCCC1 ZINC000001604836 563287455 /nfs/dbraw/zinc/28/74/55/563287455.db2.gz DMXAPDQPFUZSIO-UHFFFAOYSA-N 1 2 304.550 4.412 40 0 DIABLO Clc1ccc(COCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000013283487 563380024 /nfs/dbraw/zinc/38/00/24/563380024.db2.gz QAFCOMPEARFAJQ-UHFFFAOYSA-N 1 2 312.800 4.302 40 0 DIABLO C(=Cc1ccccc1)c1cc(CCc2[nH]c3ccccc3[nH+]2)[nH]n1 ZINC000031829816 563441236 /nfs/dbraw/zinc/44/12/36/563441236.db2.gz OWYXAQBXRBXNCS-KHPPLWFESA-N 1 2 314.392 4.242 40 0 DIABLO Cc1cc(N2CCc3ccccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000244322794 563604528 /nfs/dbraw/zinc/60/45/28/563604528.db2.gz XJJZDYNTEIHWEF-UHFFFAOYSA-N 1 2 316.408 4.091 40 0 DIABLO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(F)cc2)[NH2+][C@H]1c1ccc(F)cc1 ZINC000000227600 563615663 /nfs/dbraw/zinc/61/56/63/563615663.db2.gz ADBLCXKVLSFZLV-GNTOHDJUSA-N 1 2 315.363 4.192 40 0 DIABLO Cc1ccccc1C(=O)Nc1cc([NH+]2CCCCC2)c(C)cc1N ZINC000216866142 563711853 /nfs/dbraw/zinc/71/18/53/563711853.db2.gz NCCFMRVSIWPLOA-UHFFFAOYSA-N 1 2 323.440 4.128 40 0 DIABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000216865249 563712165 /nfs/dbraw/zinc/71/21/65/563712165.db2.gz VOGHPBRWGLUIHB-KBPBESRZSA-N 1 2 317.477 4.329 40 0 DIABLO Cc1ccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@@H+]2C)cc1 ZINC000033305814 563769639 /nfs/dbraw/zinc/76/96/39/563769639.db2.gz HTFCOEUXVITUGL-UYRXBGFRSA-N 1 2 320.436 4.241 40 0 DIABLO Cc1ccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@H+]2C)cc1 ZINC000033305814 563769641 /nfs/dbraw/zinc/76/96/41/563769641.db2.gz HTFCOEUXVITUGL-UYRXBGFRSA-N 1 2 320.436 4.241 40 0 DIABLO Cc1cc2[nH+]c(-c3ccc(Br)c(N)c3)[nH]c2c(C)c1 ZINC000070462827 563812884 /nfs/dbraw/zinc/81/28/84/563812884.db2.gz ABMDRGNQNGQVMA-UHFFFAOYSA-N 1 2 316.202 4.191 40 0 DIABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc[nH+]1 ZINC000329051924 563833909 /nfs/dbraw/zinc/83/39/09/563833909.db2.gz UZMZHAKPVPXNRQ-CQSZACIVSA-N 1 2 310.445 4.028 40 0 DIABLO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]cn1 ZINC000329051924 563833913 /nfs/dbraw/zinc/83/39/13/563833913.db2.gz UZMZHAKPVPXNRQ-CQSZACIVSA-N 1 2 310.445 4.028 40 0 DIABLO Cc1ccc(C(=O)Nc2cc([NH+]3CCCCC3)c(C)cc2N)cc1 ZINC000216867459 563856667 /nfs/dbraw/zinc/85/66/67/563856667.db2.gz VZDWQWLMYUWENJ-UHFFFAOYSA-N 1 2 323.440 4.128 40 0 DIABLO [NH3+][C@H]1Nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2S1 ZINC000004944087 181176895 /nfs/dbraw/zinc/17/68/95/181176895.db2.gz INSSOXOZBWQOKI-SFHVURJKSA-N 1 2 318.405 4.143 40 0 DIABLO CCc1[nH+]cc([C@@](C)(O)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000005502423 181250327 /nfs/dbraw/zinc/25/03/27/181250327.db2.gz GHYMSNSQIZIJJD-NRFANRHFSA-N 1 2 320.436 4.058 40 0 DIABLO Cc1cc(NC(=S)NCc2ccccc2)c2ccccc2[nH+]1 ZINC000005986648 181303394 /nfs/dbraw/zinc/30/33/94/181303394.db2.gz DGBVENAXGCAYBG-UHFFFAOYSA-N 1 2 307.422 4.030 40 0 DIABLO COc1cc2c(cc1OC)C(C1CCCCC1)=[NH+]C(C)(C)C2 ZINC000006763567 181385230 /nfs/dbraw/zinc/38/52/30/181385230.db2.gz ZNUWACNJOHNADJ-UHFFFAOYSA-N 1 2 301.430 4.408 40 0 DIABLO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2c(F)cccc2Cl)n1 ZINC000019291046 182113450 /nfs/dbraw/zinc/11/34/50/182113450.db2.gz FTLHJZMIMWZYGQ-KRWDZBQOSA-N 1 2 321.827 4.330 40 0 DIABLO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2c(F)cccc2Cl)n1 ZINC000019291046 182113451 /nfs/dbraw/zinc/11/34/51/182113451.db2.gz FTLHJZMIMWZYGQ-KRWDZBQOSA-N 1 2 321.827 4.330 40 0 DIABLO Fc1ccc([C@@H]2[NH2+][C@H](c3nccs3)Cc3ccsc32)cc1 ZINC000019336394 182116684 /nfs/dbraw/zinc/11/66/84/182116684.db2.gz KUPUBHZZJZTZIW-KBPBESRZSA-N 1 2 316.426 4.320 40 0 DIABLO Fc1ccccc1C[NH2+][C@@H](Cc1cccs1)c1nccs1 ZINC000019349515 182117842 /nfs/dbraw/zinc/11/78/42/182117842.db2.gz DPRFBGDIIXOCLY-HNNXBMFYSA-N 1 2 318.442 4.417 40 0 DIABLO Cc1ccc(C)c2nc3c(cc12)C[N@H+](Cc1ccccc1)CCO3 ZINC000057718804 184049586 /nfs/dbraw/zinc/04/95/86/184049586.db2.gz UBDPGLUQTQARNB-UHFFFAOYSA-N 1 2 318.420 4.246 40 0 DIABLO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)CCO3 ZINC000057718804 184049589 /nfs/dbraw/zinc/04/95/89/184049589.db2.gz UBDPGLUQTQARNB-UHFFFAOYSA-N 1 2 318.420 4.246 40 0 DIABLO Cc1cc(N(C)c2ccccc2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223346 257123100 /nfs/dbraw/zinc/12/31/00/257123100.db2.gz YYQLNPXAONEBQO-FQEVSTJZSA-N 1 2 304.393 4.240 40 0 DIABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213896 257125831 /nfs/dbraw/zinc/12/58/31/257125831.db2.gz FXGAZYDDYREIRE-HNNXBMFYSA-N 1 2 317.433 4.118 40 0 DIABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213905 257125998 /nfs/dbraw/zinc/12/59/98/257125998.db2.gz UHCMYHIMYHNNKH-GOSISDBHSA-N 1 2 321.424 4.023 40 0 DIABLO CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213501 257126141 /nfs/dbraw/zinc/12/61/41/257126141.db2.gz PZIHCZVHGJDIED-UKRRQHHQSA-N 1 2 319.449 4.364 40 0 DIABLO CC[C@H](C)Nc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213518 257126581 /nfs/dbraw/zinc/12/65/81/257126581.db2.gz SCFOKPYATPPPAT-MAUKXSAKSA-N 1 2 323.440 4.269 40 0 DIABLO CCCNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213223 257126955 /nfs/dbraw/zinc/12/69/55/257126955.db2.gz SOQNEISEGLNXGQ-OAHLLOKOSA-N 1 2 319.449 4.366 40 0 DIABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213389 257127312 /nfs/dbraw/zinc/12/73/12/257127312.db2.gz JBPWDTAUZLKHIK-UKRRQHHQSA-N 1 2 319.449 4.364 40 0 DIABLO S=c1oc(-c2ccccc2Cl)nn1C[NH+]1CCCCCC1 ZINC000059497999 563771731 /nfs/dbraw/zinc/77/17/31/563771731.db2.gz RVKGSCLFRLBLKU-UHFFFAOYSA-N 1 2 323.849 4.359 40 0 DIABLO Cc1cc2[nH]c(-c3ccc(N)c(Br)c3)[nH+]c2cc1C ZINC000070461509 563457081 /nfs/dbraw/zinc/45/70/81/563457081.db2.gz SJCHIGVGVIGNLU-UHFFFAOYSA-N 1 2 316.202 4.191 40 0 DIABLO c1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000243948897 563604313 /nfs/dbraw/zinc/60/43/13/563604313.db2.gz RXWSVOAXBIWMIH-UHFFFAOYSA-N 1 2 316.408 4.330 40 0 DIABLO Cc1[nH+]c2cc(NC(=O)NC(C)(C)CC(C)(C)C)ccc2n1C ZINC000000479411 563629911 /nfs/dbraw/zinc/62/99/11/563629911.db2.gz WGQQGEVDBXOCTP-UHFFFAOYSA-N 1 2 316.449 4.218 40 0 DIABLO Cc1ccccc1C(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226254245 563913371 /nfs/dbraw/zinc/91/33/71/563913371.db2.gz AOPLSIXQSBLBQQ-UHFFFAOYSA-N 1 2 323.440 4.066 40 0 DIABLO CC(C)(C)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329036925 563959574 /nfs/dbraw/zinc/95/95/74/563959574.db2.gz RLERWWALGRPONM-UHFFFAOYSA-N 1 2 322.456 4.969 40 0 DIABLO CC(C)(C)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329013045 563959624 /nfs/dbraw/zinc/95/96/24/563959624.db2.gz MMYOWUFBPYOQMN-UHFFFAOYSA-N 1 2 316.836 4.961 40 0 DIABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2C)cc(C2CC2)[nH+]1 ZINC000329031344 563960363 /nfs/dbraw/zinc/96/03/63/563960363.db2.gz QISWMRWSJLKSCZ-GFCCVEGCSA-N 1 2 314.408 4.756 40 0 DIABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329068978 563960374 /nfs/dbraw/zinc/96/03/74/563960374.db2.gz YTGXCOWYDGEIAB-NSHDSACASA-N 1 2 316.836 4.961 40 0 DIABLO C[C@H]1CCC[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000329580138 1044012959 /nfs/dbraw/zinc/01/29/59/1044012959.db2.gz POWLBZQCDYJROV-YOEHRIQHSA-N 1 2 322.412 4.275 40 0 DIABLO Cc1cccc(C2(NC(=S)Nc3cc[nH+]cc3)CCCC2)c1 ZINC000225874288 201758311 /nfs/dbraw/zinc/75/83/11/201758311.db2.gz NGXOIKIMGIRREJ-UHFFFAOYSA-N 1 2 311.454 4.146 40 0 DIABLO O=C1CCCc2[nH+]c3ccccc3c(NCc3ccccc3)c21 ZINC000018149286 182095388 /nfs/dbraw/zinc/09/53/88/182095388.db2.gz JMKIIRWHVISOBM-UHFFFAOYSA-N 1 2 302.377 4.366 40 0 in-vitro DIABLO Cc1ccc2cc3c(nc2c1)O[C@@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000057712478 184049001 /nfs/dbraw/zinc/04/90/01/184049001.db2.gz YXWGLFPPMNLQRO-INIZCTEOSA-N 1 2 318.420 4.326 40 0 DIABLO Cc1ccc2cc3c(nc2c1)O[C@@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000057712478 184049003 /nfs/dbraw/zinc/04/90/03/184049003.db2.gz YXWGLFPPMNLQRO-INIZCTEOSA-N 1 2 318.420 4.326 40 0 DIABLO CCOC(=O)c1c[nH+]c2c(cccc2C(C)C)c1N(CC)CC ZINC000062719801 184250958 /nfs/dbraw/zinc/25/09/58/184250958.db2.gz VYIIENLPYSUHMS-UHFFFAOYSA-N 1 2 314.429 4.381 40 0 DIABLO Cc1[nH+]c(N2CCc3ccccc32)ccc1[C@@H](O)c1ccccc1 ZINC000072224990 257123350 /nfs/dbraw/zinc/12/33/50/257123350.db2.gz XHLWNWTZOQKZOY-NRFANRHFSA-N 1 2 316.404 4.166 40 0 DIABLO Cc1[nH+]c(Nc2ccccc2)ccc1CNC(=O)OC(C)(C)C ZINC000072224353 257123607 /nfs/dbraw/zinc/12/36/07/257123607.db2.gz UCBHXSNEMNOQQW-UHFFFAOYSA-N 1 2 313.401 4.158 40 0 DIABLO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1[C@H](O)c1ccccc1 ZINC000072224441 257123789 /nfs/dbraw/zinc/12/37/89/257123789.db2.gz PBZTXQJEVDMURR-OAQYLSRUSA-N 1 2 318.420 4.108 40 0 DIABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N(C)c1ccccc1 ZINC000072222306 257124297 /nfs/dbraw/zinc/12/42/97/257124297.db2.gz ATANZASDFKJSGE-LJQANCHMSA-N 1 2 304.393 4.240 40 0 DIABLO CCCCN(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCC1 ZINC000072215019 257126039 /nfs/dbraw/zinc/12/60/39/257126039.db2.gz DHLNAFSEYIURLS-UHFFFAOYSA-N 1 2 317.433 4.206 40 0 DIABLO CCCCNc1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072213606 257126195 /nfs/dbraw/zinc/12/61/95/257126195.db2.gz FZFAJAZWRQIKBD-GOSISDBHSA-N 1 2 323.440 4.271 40 0 DIABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213895 257126315 /nfs/dbraw/zinc/12/63/15/257126315.db2.gz FXGAZYDDYREIRE-OAHLLOKOSA-N 1 2 317.433 4.118 40 0 DIABLO CC[C@H](C)Nc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213502 257126495 /nfs/dbraw/zinc/12/64/95/257126495.db2.gz PZIHCZVHGJDIED-DZGCQCFKSA-N 1 2 319.449 4.364 40 0 DIABLO CC(C)CNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213311 257126653 /nfs/dbraw/zinc/12/66/53/257126653.db2.gz PDPYBNPLAMKHQB-HNNXBMFYSA-N 1 2 319.449 4.222 40 0 DIABLO CC1(C)CN(c2cc(NC3CCCC3)[nH+]cn2)Cc2ccccc21 ZINC000328960035 529128780 /nfs/dbraw/zinc/12/87/80/529128780.db2.gz AWLFEVLPGMKXQV-UHFFFAOYSA-N 1 2 322.456 4.129 40 0 DIABLO CC1(C)CN(c2cc(NC3CCCC3)nc[nH+]2)Cc2ccccc21 ZINC000328960035 529128782 /nfs/dbraw/zinc/12/87/82/529128782.db2.gz AWLFEVLPGMKXQV-UHFFFAOYSA-N 1 2 322.456 4.129 40 0 DIABLO Nc1cc(Nc2cccc(Cl)c2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467937 563467284 /nfs/dbraw/zinc/46/72/84/563467284.db2.gz DRJWNGJIFVNXSK-UHFFFAOYSA-N 1 2 314.751 4.262 40 0 DIABLO Nc1cc(Nc2cccc(Cl)c2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467937 563467287 /nfs/dbraw/zinc/46/72/87/563467287.db2.gz DRJWNGJIFVNXSK-UHFFFAOYSA-N 1 2 314.751 4.262 40 0 DIABLO Cc1cc(C)cc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)c1 ZINC000049467926 563467767 /nfs/dbraw/zinc/46/77/67/563467767.db2.gz UJOKBVNGRPEJIU-UHFFFAOYSA-N 1 2 308.360 4.225 40 0 DIABLO Cc1cc(C)cc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)c1 ZINC000049467926 563467768 /nfs/dbraw/zinc/46/77/68/563467768.db2.gz UJOKBVNGRPEJIU-UHFFFAOYSA-N 1 2 308.360 4.225 40 0 DIABLO CC[C@@H](C)Nc1nc(Nc2c(C)cc(C)cc2C)cc(C2CC2)[nH+]1 ZINC000328983649 563832803 /nfs/dbraw/zinc/83/28/03/563832803.db2.gz HHTHDHPPXRKULX-OAHLLOKOSA-N 1 2 324.472 4.077 40 0 DIABLO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCC2)[nH+]cn1 ZINC000328984516 563833032 /nfs/dbraw/zinc/83/30/32/563833032.db2.gz HOGLUIGOTSCXND-UHFFFAOYSA-N 1 2 322.456 4.172 40 0 DIABLO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCC2)nc[nH+]1 ZINC000328984516 563833036 /nfs/dbraw/zinc/83/30/36/563833036.db2.gz HOGLUIGOTSCXND-UHFFFAOYSA-N 1 2 322.456 4.172 40 0 DIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 ZINC000226261096 563913184 /nfs/dbraw/zinc/91/31/84/563913184.db2.gz WTNXDVPNIHMPFL-UHFFFAOYSA-N 1 2 317.820 4.021 40 0 DIABLO CCCCCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226253626 563913373 /nfs/dbraw/zinc/91/33/73/563913373.db2.gz OYVWAYHVRRCPEO-CQSZACIVSA-N 1 2 303.450 4.166 40 0 DIABLO CCCCCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226253626 563913374 /nfs/dbraw/zinc/91/33/74/563913374.db2.gz OYVWAYHVRRCPEO-CQSZACIVSA-N 1 2 303.450 4.166 40 0 DIABLO CCCCCC(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226253598 563913449 /nfs/dbraw/zinc/91/34/49/563913449.db2.gz KOPGQIOJOKYCKY-UHFFFAOYSA-N 1 2 303.450 4.024 40 0 DIABLO CCNc1nc(Nc2ccc(C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329007184 563959796 /nfs/dbraw/zinc/95/97/96/563959796.db2.gz LIGKDAOARZSRFV-UHFFFAOYSA-N 1 2 304.397 4.627 40 0 DIABLO CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328968070 563959882 /nfs/dbraw/zinc/95/98/82/563959882.db2.gz CXHXRXAAVTXTAO-UHFFFAOYSA-N 1 2 324.815 4.972 40 0 DIABLO CC[C@H](C)Nc1nc(Nc2ccc(F)c(C)c2)cc(C2CC2)[nH+]1 ZINC000329047124 563960258 /nfs/dbraw/zinc/96/02/58/563960258.db2.gz UEWCLIFNTZYCND-LBPRGKRZSA-N 1 2 314.408 4.756 40 0 DIABLO CCOC(CCn1c(CC(C)C)[nH+]c2ccccc21)OCC ZINC000016740576 182059427 /nfs/dbraw/zinc/05/94/27/182059427.db2.gz WGGROGJRRMGTRZ-UHFFFAOYSA-N 1 2 304.434 4.024 40 0 DIABLO Cc1csc([C@@H]2Cc3ccsc3[C@H](c3ccccc3)[NH2+]2)n1 ZINC000019240268 182112045 /nfs/dbraw/zinc/11/20/45/182112045.db2.gz PCFPAIYJERCRGA-GJZGRUSLSA-N 1 2 312.463 4.489 40 0 DIABLO COc1cccc(C(=O)Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c1 ZINC000040177097 183043889 /nfs/dbraw/zinc/04/38/89/183043889.db2.gz HLXNKQTUVZVGQD-UHFFFAOYSA-N 1 2 320.392 4.421 40 0 DIABLO COc1ccccc1CNc1c[nH+]ccc1Oc1ccccc1 ZINC000044138734 183396696 /nfs/dbraw/zinc/39/66/96/183396696.db2.gz YWVGMYNAOSNGEP-UHFFFAOYSA-N 1 2 306.365 4.495 40 0 DIABLO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCC1 ZINC000072215191 257125856 /nfs/dbraw/zinc/12/58/56/257125856.db2.gz BFRVDXGGSUVJLW-CYBMUJFWSA-N 1 2 317.433 4.205 40 0 DIABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213746 257126071 /nfs/dbraw/zinc/12/60/71/257126071.db2.gz RDPCFKKATKVQLW-OAHLLOKOSA-N 1 2 317.433 4.118 40 0 DIABLO CCCCNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213666 257126499 /nfs/dbraw/zinc/12/64/99/257126499.db2.gz VMZHCBLWAAUCLM-GOSISDBHSA-N 1 2 323.440 4.271 40 0 DIABLO CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213500 257126659 /nfs/dbraw/zinc/12/66/59/257126659.db2.gz PZIHCZVHGJDIED-ZFWWWQNUSA-N 1 2 319.449 4.364 40 0 DIABLO CCCNc1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213171 257126917 /nfs/dbraw/zinc/12/69/17/257126917.db2.gz MSQLVEZZFXNOMP-GOSISDBHSA-N 1 2 323.440 4.271 40 0 DIABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072213404 257127445 /nfs/dbraw/zinc/12/74/45/257127445.db2.gz HUTITWSVNHJLQT-YJBOKZPZSA-N 1 2 323.440 4.269 40 0 DIABLO CC1(C)C[NH+]=C(Nc2ccc(OC(F)(F)Cl)cc2)S1 ZINC000000036246 563211343 /nfs/dbraw/zinc/21/13/43/563211343.db2.gz YDEXLPRNTLIGOA-UHFFFAOYSA-N 1 2 306.765 4.148 40 0 DIABLO CC[NH2+]c1cc2c(cc1O)CC[C@@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000008666307 563348499 /nfs/dbraw/zinc/34/84/99/563348499.db2.gz PVHIGKNDYZNZIH-XAZWDOJMSA-N 1 2 315.457 4.041 40 0 DIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCn2cccc2[C@H]1C(C)C ZINC000012188598 563364065 /nfs/dbraw/zinc/36/40/65/563364065.db2.gz IWSNBGPNYUCWMR-LJQANCHMSA-N 1 2 314.477 4.095 40 0 DIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCn2cccc2[C@H]1C(C)C ZINC000012188598 563364067 /nfs/dbraw/zinc/36/40/67/563364067.db2.gz IWSNBGPNYUCWMR-LJQANCHMSA-N 1 2 314.477 4.095 40 0 DIABLO CCSc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N)[nH+]1 ZINC000049467503 563467245 /nfs/dbraw/zinc/46/72/45/563467245.db2.gz TWRKVPURPPDLHI-UHFFFAOYSA-N 1 2 315.229 4.221 40 0 DIABLO S=C(NCCCc1cccc2ccccc21)Nc1cc[nH+]cc1 ZINC000225809559 563764219 /nfs/dbraw/zinc/76/42/19/563764219.db2.gz ZHXKKASQAURMRR-UHFFFAOYSA-N 1 2 321.449 4.154 40 0 DIABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc[nH+]1 ZINC000329051923 563833530 /nfs/dbraw/zinc/83/35/30/563833530.db2.gz UZMZHAKPVPXNRQ-AWEZNQCLSA-N 1 2 310.445 4.028 40 0 DIABLO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]cn1 ZINC000329051923 563833531 /nfs/dbraw/zinc/83/35/31/563833531.db2.gz UZMZHAKPVPXNRQ-AWEZNQCLSA-N 1 2 310.445 4.028 40 0 DIABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000328995113 563959664 /nfs/dbraw/zinc/95/96/64/563959664.db2.gz JGBPPCOTKQGFAP-UHFFFAOYSA-N 1 2 314.408 4.756 40 0 DIABLO CCNc1nc(Nc2ccc(F)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328965958 563959813 /nfs/dbraw/zinc/95/98/13/563959813.db2.gz CHIVOTOZKNWATM-UHFFFAOYSA-N 1 2 322.387 4.767 40 0 DIABLO COc1cc2[nH+]ccc(Oc3ccc(Cl)nc3)c2cc1OC ZINC000090529020 185300513 /nfs/dbraw/zinc/30/05/13/185300513.db2.gz FNIKBXUMRCVQCB-UHFFFAOYSA-N 1 2 316.744 4.093 40 0 DIABLO C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cc[nH+]cc1 ZINC000225661999 186287564 /nfs/dbraw/zinc/28/75/64/186287564.db2.gz FUCLSBNYCJBPJB-AWEZNQCLSA-N 1 2 313.470 4.124 40 0 DIABLO Cc1cc2[nH+]c(-c3ccc(N)cc3Br)[nH]c2c(C)c1 ZINC000073639298 191335638 /nfs/dbraw/zinc/33/56/38/191335638.db2.gz IGWIMBUGVXLGHN-UHFFFAOYSA-N 1 2 316.202 4.191 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(F)c(F)c2)no1 ZINC000019119386 182105093 /nfs/dbraw/zinc/10/50/93/182105093.db2.gz LZVKHXTXKXFSLL-KRWDZBQOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(F)c(F)c2)no1 ZINC000019119386 182105095 /nfs/dbraw/zinc/10/50/95/182105095.db2.gz LZVKHXTXKXFSLL-KRWDZBQOSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2c(F)cccc2F)no1 ZINC000019119377 182105401 /nfs/dbraw/zinc/10/54/01/182105401.db2.gz IQBXYQIGDLPDSN-QGZVFWFLSA-N 1 2 306.356 4.379 40 0 DIABLO Cc1cc([C@H]2CCCCC[N@H+]2Cc2c(F)cccc2F)no1 ZINC000019119377 182105403 /nfs/dbraw/zinc/10/54/03/182105403.db2.gz IQBXYQIGDLPDSN-QGZVFWFLSA-N 1 2 306.356 4.379 40 0 DIABLO c1ccc([C@@H]2C[C@H]3c4ccccc4OC4(CCCC4)N3[NH2+]2)cc1 ZINC000019171716 182106695 /nfs/dbraw/zinc/10/66/95/182106695.db2.gz XYMAJJUMIAREDB-ROUUACIJSA-N 1 2 306.409 4.342 40 0 DIABLO COc1c(Cl)cc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1Cl ZINC000022124678 182309511 /nfs/dbraw/zinc/30/95/11/182309511.db2.gz XJISZTMRZKOIQV-UHFFFAOYSA-N 1 2 308.168 4.128 40 0 DIABLO Cc1cc2[nH+]cn(Cc3cccc(Br)c3)c2cc1C ZINC000040224018 183047148 /nfs/dbraw/zinc/04/71/48/183047148.db2.gz QWQLSENQTLEEJW-UHFFFAOYSA-N 1 2 315.214 4.464 40 0 DIABLO Cc1[nH+]c(N(C)c2ccccc2)ccc1[C@H](O)c1ccccc1 ZINC000072224387 257123331 /nfs/dbraw/zinc/12/33/31/257123331.db2.gz UESGYDBROIBEGF-HXUWFJFHSA-N 1 2 304.393 4.240 40 0 DIABLO Cc1[nH+]c(N2CCc3ccccc32)ccc1[C@H](O)c1ccccc1 ZINC000072224989 257123787 /nfs/dbraw/zinc/12/37/87/257123787.db2.gz XHLWNWTZOQKZOY-OAQYLSRUSA-N 1 2 316.404 4.166 40 0 DIABLO Cc1[nH+]c(NCc2ccccc2)ccc1C(=O)c1ccccc1 ZINC000072224409 257123798 /nfs/dbraw/zinc/12/37/98/257123798.db2.gz TWRXVGRVDPZRBK-UHFFFAOYSA-N 1 2 302.377 4.233 40 0 DIABLO CCCN(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCCC1 ZINC000072214749 257126107 /nfs/dbraw/zinc/12/61/07/257126107.db2.gz LIQSKIMZLOIQGA-UHFFFAOYSA-N 1 2 317.433 4.206 40 0 DIABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213515 257126149 /nfs/dbraw/zinc/12/61/49/257126149.db2.gz SCFOKPYATPPPAT-QAPCUYQASA-N 1 2 323.440 4.269 40 0 DIABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213806 257126205 /nfs/dbraw/zinc/12/62/05/257126205.db2.gz GMNXDSLOJSEAIA-OAHLLOKOSA-N 1 2 317.433 4.118 40 0 DIABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213252 257127523 /nfs/dbraw/zinc/12/75/23/257127523.db2.gz TXZQTBWPZRHKTM-OAHLLOKOSA-N 1 2 319.449 4.222 40 0 DIABLO CC[NH+](CC)Cc1c(Br)cccc1Br ZINC000209774710 257132117 /nfs/dbraw/zinc/13/21/17/257132117.db2.gz FWVHWQPIIWQKID-UHFFFAOYSA-N 1 2 321.056 4.053 40 0 DIABLO C=C1c2[nH]c3cc(OC)ccc3c2CC[N@@H+]1Cc1ccccc1 ZINC000001581489 563286190 /nfs/dbraw/zinc/28/61/90/563286190.db2.gz VRAWIKRENBKLAC-UHFFFAOYSA-N 1 2 304.393 4.206 40 0 DIABLO C=C1c2[nH]c3cc(OC)ccc3c2CC[N@H+]1Cc1ccccc1 ZINC000001581489 563286192 /nfs/dbraw/zinc/28/61/92/563286192.db2.gz VRAWIKRENBKLAC-UHFFFAOYSA-N 1 2 304.393 4.206 40 0 DIABLO Cc1c2ccccc2[nH]c1-c1c[nH+]cn1CCCC(C)(C)CO ZINC000036752029 563457290 /nfs/dbraw/zinc/45/72/90/563457290.db2.gz TWEQEVMXSQGPMF-UHFFFAOYSA-N 1 2 311.429 4.139 40 0 DIABLO C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)[NH2+][C@H]1c1ccc(F)cc1 ZINC000013617620 563661929 /nfs/dbraw/zinc/66/19/29/563661929.db2.gz ADBLCXKVLSFZLV-RHMWETHNSA-N 1 2 315.363 4.192 40 0 DIABLO Cc1ccc([C@H](NC(=S)Nc2cc[nH+]cc2)C(C)C)c(C)c1 ZINC000225766577 563762793 /nfs/dbraw/zinc/76/27/93/563762793.db2.gz LSQPSPZOXBYXFX-QGZVFWFLSA-N 1 2 313.470 4.382 40 0 DIABLO Cc1ccc([C@@H](NC(=S)Nc2cc[nH+]cc2)C(C)C)c(C)c1 ZINC000225766560 563763140 /nfs/dbraw/zinc/76/31/40/563763140.db2.gz LSQPSPZOXBYXFX-KRWDZBQOSA-N 1 2 313.470 4.382 40 0 DIABLO CC(C)c1ccc(CCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225807798 563763916 /nfs/dbraw/zinc/76/39/16/563763916.db2.gz JTKVOVIFCNTUFI-UHFFFAOYSA-N 1 2 313.470 4.124 40 0 DIABLO Cc1ccccc1C1(NC(=S)Nc2cc[nH+]cc2)CCCC1 ZINC000225874265 563765849 /nfs/dbraw/zinc/76/58/49/563765849.db2.gz KIGHCNSPPOJYQR-UHFFFAOYSA-N 1 2 311.454 4.146 40 0 DIABLO Cc1ccc2oc(C(N3CCCCC3)[NH+]3CCCCC3)nc2c1 ZINC000255190260 563927789 /nfs/dbraw/zinc/92/77/89/563927789.db2.gz VYWOHIFFGPJORL-UHFFFAOYSA-N 1 2 313.445 4.107 40 0 DIABLO CC(C)(C)Nc1nc(Nc2c(F)cccc2F)cc(C2CC2)[nH+]1 ZINC000329016430 563959684 /nfs/dbraw/zinc/95/96/84/563959684.db2.gz NGHYAAKYNSYQTH-UHFFFAOYSA-N 1 2 318.371 4.586 40 0 DIABLO C[C@@H]1CCC[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000329580136 1044011738 /nfs/dbraw/zinc/01/17/38/1044011738.db2.gz POWLBZQCDYJROV-RHSMWYFYSA-N 1 2 322.412 4.275 40 0 DIABLO Cc1cc(C[N@@H+](C)Cc2ccccc2Oc2ccccc2)[nH]n1 ZINC000019658818 182135212 /nfs/dbraw/zinc/13/52/12/182135212.db2.gz BLOWXYUOUGLZST-UHFFFAOYSA-N 1 2 307.397 4.142 40 0 DIABLO Cc1cc(C[N@H+](C)Cc2ccccc2Oc2ccccc2)[nH]n1 ZINC000019658818 182135214 /nfs/dbraw/zinc/13/52/14/182135214.db2.gz BLOWXYUOUGLZST-UHFFFAOYSA-N 1 2 307.397 4.142 40 0 DIABLO Cc1cccc2cc3c(nc12)O[C@@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000057712464 184048899 /nfs/dbraw/zinc/04/88/99/184048899.db2.gz GFUZJEWAPQQGHC-INIZCTEOSA-N 1 2 318.420 4.326 40 0 DIABLO Cc1cccc2cc3c(nc12)O[C@@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000057712464 184048901 /nfs/dbraw/zinc/04/89/01/184048901.db2.gz GFUZJEWAPQQGHC-INIZCTEOSA-N 1 2 318.420 4.326 40 0 DIABLO Cc1cc(N2CCc3ccccc32)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223948 257123344 /nfs/dbraw/zinc/12/33/44/257123344.db2.gz IXTPCCHYNBDDSQ-NRFANRHFSA-N 1 2 316.404 4.166 40 0 DIABLO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCC1 ZINC000072215192 257125819 /nfs/dbraw/zinc/12/58/19/257125819.db2.gz BFRVDXGGSUVJLW-ZDUSSCGKSA-N 1 2 317.433 4.205 40 0 DIABLO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCC2)cn1 ZINC000072215080 257125886 /nfs/dbraw/zinc/12/58/86/257125886.db2.gz JRMREBSOOCXLHH-ZDUSSCGKSA-N 1 2 317.433 4.205 40 0 DIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213754 257126321 /nfs/dbraw/zinc/12/63/21/257126321.db2.gz SGWUSMMRIGBRFH-GOSISDBHSA-N 1 2 321.424 4.023 40 0 DIABLO CCCCNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213656 257126361 /nfs/dbraw/zinc/12/63/61/257126361.db2.gz DDKZRFDASOQKAW-OAHLLOKOSA-N 1 2 319.449 4.366 40 0 DIABLO CCCCNc1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072213605 257126670 /nfs/dbraw/zinc/12/66/70/257126670.db2.gz FZFAJAZWRQIKBD-SFHVURJKSA-N 1 2 323.440 4.271 40 0 DIABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213388 257127515 /nfs/dbraw/zinc/12/75/15/257127515.db2.gz JBPWDTAUZLKHIK-ZFWWWQNUSA-N 1 2 319.449 4.364 40 0 DIABLO CCCNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213162 257127551 /nfs/dbraw/zinc/12/75/51/257127551.db2.gz ORJFPMQOBSOSOH-HNNXBMFYSA-N 1 2 319.449 4.366 40 0 DIABLO CC(C)(C)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000329000683 257231262 /nfs/dbraw/zinc/23/12/62/257231262.db2.gz KBJZNYLAHKSEBK-UHFFFAOYSA-N 1 2 300.381 4.447 40 0 DIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCn2cccc2[C@@H]1C(C)C ZINC000012188594 563364181 /nfs/dbraw/zinc/36/41/81/563364181.db2.gz IWSNBGPNYUCWMR-IBGZPJMESA-N 1 2 314.477 4.095 40 0 DIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCn2cccc2[C@@H]1C(C)C ZINC000012188594 563364184 /nfs/dbraw/zinc/36/41/84/563364184.db2.gz IWSNBGPNYUCWMR-IBGZPJMESA-N 1 2 314.477 4.095 40 0 DIABLO Cc1ccc(COc2ccc(Cl)cc2Cn2cc[nH+]c2)cc1 ZINC000013283492 563380111 /nfs/dbraw/zinc/38/01/11/563380111.db2.gz JLFHRMZLDJPKJL-UHFFFAOYSA-N 1 2 312.800 4.472 40 0 DIABLO COc1cccc2c(Nc3ccc(C(C)=O)cc3)cc(C)[nH+]c12 ZINC000000303390 563607497 /nfs/dbraw/zinc/60/74/97/563607497.db2.gz OHZFNKIYIYPORZ-UHFFFAOYSA-N 1 2 306.365 4.498 40 0 DIABLO Fc1ccccc1C[N@@H+]1CCCC[C@H]1c1ncn2ccsc12 ZINC000257229221 563791067 /nfs/dbraw/zinc/79/10/67/563791067.db2.gz FXGIDOOJXUTDHF-HNNXBMFYSA-N 1 2 315.417 4.262 40 0 DIABLO Fc1ccccc1C[N@H+]1CCCC[C@H]1c1ncn2ccsc12 ZINC000257229221 563791070 /nfs/dbraw/zinc/79/10/70/563791070.db2.gz FXGIDOOJXUTDHF-HNNXBMFYSA-N 1 2 315.417 4.262 40 0 DIABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)ccc1Cl ZINC000329016461 563960120 /nfs/dbraw/zinc/96/01/20/563960120.db2.gz NGUDQFZWCKJZCK-UHFFFAOYSA-N 1 2 314.820 4.634 40 0 DIABLO Cc1cccc2[nH+]c(CSc3ccc4ccccc4n3)cn21 ZINC000016362506 182042368 /nfs/dbraw/zinc/04/23/68/182042368.db2.gz WCLCVGNUPGYSPJ-UHFFFAOYSA-N 1 2 305.406 4.483 40 0 DIABLO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1[C@@H](O)c1ccccc1 ZINC000072224442 257123138 /nfs/dbraw/zinc/12/31/38/257123138.db2.gz PBZTXQJEVDMURR-NRFANRHFSA-N 1 2 318.420 4.108 40 0 DIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213815 257125872 /nfs/dbraw/zinc/12/58/72/257125872.db2.gz VRJMCMRGPRSSMZ-SFHVURJKSA-N 1 2 321.424 4.023 40 0 DIABLO CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCC2)cn1 ZINC000072214539 257126293 /nfs/dbraw/zinc/12/62/93/257126293.db2.gz FYXSMKDVCDFZCR-UHFFFAOYSA-N 1 2 317.433 4.062 40 0 DIABLO CCCCNc1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072213596 257126570 /nfs/dbraw/zinc/12/65/70/257126570.db2.gz XNACDHSQXSWHQC-OAHLLOKOSA-N 1 2 319.449 4.366 40 0 DIABLO CCCNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213222 257126978 /nfs/dbraw/zinc/12/69/78/257126978.db2.gz SOQNEISEGLNXGQ-HNNXBMFYSA-N 1 2 319.449 4.366 40 0 DIABLO COC(=O)c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC000034925917 257130080 /nfs/dbraw/zinc/13/00/80/257130080.db2.gz YJYLUCGGOVMNPO-UHFFFAOYSA-N 1 2 312.756 4.418 40 0 DIABLO CCCC[NH2+][C@H](c1ccc(C=O)cc1)C(Cl)(Cl)Cl ZINC000031938615 563441051 /nfs/dbraw/zinc/44/10/51/563441051.db2.gz VTUBCGHFOSQWHR-GFCCVEGCSA-N 1 2 308.636 4.300 40 0 DIABLO CC[NH2+]c1cc2c(cc1O)CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000008665582 563348797 /nfs/dbraw/zinc/34/87/97/563348797.db2.gz PVHIGKNDYZNZIH-QVSKIWFPSA-N 1 2 315.457 4.041 40 0 DIABLO O=C(c1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000031924217 563441345 /nfs/dbraw/zinc/44/13/45/563441345.db2.gz SQQWTTDNPOMJNY-FQEVSTJZSA-N 1 2 301.389 4.400 40 0 DIABLO Cc1cccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@@H+]2C)c1 ZINC000033446410 563445730 /nfs/dbraw/zinc/44/57/30/563445730.db2.gz WGROVLNZKXPJDN-UYRXBGFRSA-N 1 2 320.436 4.241 40 0 DIABLO Cc1cccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@H+]2C)c1 ZINC000033446410 563445732 /nfs/dbraw/zinc/44/57/32/563445732.db2.gz WGROVLNZKXPJDN-UYRXBGFRSA-N 1 2 320.436 4.241 40 0 DIABLO C[N@@H+]1CCc2c(c3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000034797545 563451721 /nfs/dbraw/zinc/45/17/21/563451721.db2.gz BCCJZLIRFDDMGC-UHFFFAOYSA-N 1 2 310.828 4.331 40 0 DIABLO C[N@H+]1CCc2c(c3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000034797545 563451723 /nfs/dbraw/zinc/45/17/23/563451723.db2.gz BCCJZLIRFDDMGC-UHFFFAOYSA-N 1 2 310.828 4.331 40 0 DIABLO Nc1cc(Nc2ccccc2Cl)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049468001 563467354 /nfs/dbraw/zinc/46/73/54/563467354.db2.gz WTSXFTMXHQZKGV-UHFFFAOYSA-N 1 2 314.751 4.262 40 0 DIABLO CC(C)Nc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000243755224 563604648 /nfs/dbraw/zinc/60/46/48/563604648.db2.gz PYOQGWQQXCYSFE-UHFFFAOYSA-N 1 2 308.385 4.169 40 0 DIABLO Cc1cccc(C(=O)Nc2cc([NH+]3CCCCC3)c(C)cc2N)c1 ZINC000216867074 563712251 /nfs/dbraw/zinc/71/22/51/563712251.db2.gz KAWUYYYUXOTCHG-UHFFFAOYSA-N 1 2 323.440 4.128 40 0 DIABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000216865222 563857026 /nfs/dbraw/zinc/85/70/26/563857026.db2.gz VOGHPBRWGLUIHB-OKILXGFUSA-N 1 2 317.477 4.329 40 0 DIABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000216865222 563857027 /nfs/dbraw/zinc/85/70/27/563857027.db2.gz VOGHPBRWGLUIHB-OKILXGFUSA-N 1 2 317.477 4.329 40 0 DIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 ZINC000226260812 563913227 /nfs/dbraw/zinc/91/32/27/563913227.db2.gz YHUCONBFTOMCKO-UHFFFAOYSA-N 1 2 323.396 4.114 40 0 DIABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329032824 563959888 /nfs/dbraw/zinc/95/98/88/563959888.db2.gz QQDBHPIMYRTFKI-UHFFFAOYSA-N 1 2 310.445 4.925 40 0 DIABLO CCNc1nc(Nc2ccc(F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328972653 563960104 /nfs/dbraw/zinc/96/01/04/563960104.db2.gz DXAAXKAQNJMQKR-UHFFFAOYSA-N 1 2 322.387 4.767 40 0 DIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329066886 563960123 /nfs/dbraw/zinc/96/01/23/563960123.db2.gz YDZDRSBUBXJKKH-UHFFFAOYSA-N 1 2 308.429 4.761 40 0 DIABLO c1ccc(C[NH2+]N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000019167531 182106672 /nfs/dbraw/zinc/10/66/72/182106672.db2.gz BHRIPICYVGSYCY-UHFFFAOYSA-N 1 2 302.421 4.394 40 0 DIABLO Nc1ccc2[nH]c(-c3cc(Br)ccc3Cl)[nH+]c2c1 ZINC000022124663 182309278 /nfs/dbraw/zinc/30/92/78/182309278.db2.gz PGHOJMMYPBLMJO-UHFFFAOYSA-N 1 2 322.593 4.228 40 0 DIABLO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223400 257123151 /nfs/dbraw/zinc/12/31/51/257123151.db2.gz AFUNFNXSBFZBPJ-NRFANRHFSA-N 1 2 318.420 4.108 40 0 DIABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1NCc1ccccc1 ZINC000072222333 257123818 /nfs/dbraw/zinc/12/38/18/257123818.db2.gz ZRZWRTIYSIMIMU-LJQANCHMSA-N 1 2 304.393 4.084 40 0 DIABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1Nc1ccccc1 ZINC000072222272 257124017 /nfs/dbraw/zinc/12/40/17/257124017.db2.gz AXIMLWPDRFQLAA-UHFFFAOYSA-N 1 2 313.401 4.158 40 0 DIABLO CCCNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213231 257126974 /nfs/dbraw/zinc/12/69/74/257126974.db2.gz GVIIYQYMWCEGDO-GOSISDBHSA-N 1 2 323.440 4.271 40 0 DIABLO CCCNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213170 257127392 /nfs/dbraw/zinc/12/73/92/257127392.db2.gz MSQLVEZZFXNOMP-SFHVURJKSA-N 1 2 323.440 4.271 40 0 DIABLO Nc1ccc2c(c1)[nH+]c(-c1cccc(N)c1)n2C1CCCCC1 ZINC000001456419 563284216 /nfs/dbraw/zinc/28/42/16/563284216.db2.gz WKPJWSRQCCUDCH-UHFFFAOYSA-N 1 2 306.413 4.373 40 0 DIABLO Nc1ccc(-c2[nH+]c3cc(N)ccc3n2C2CCCCC2)cc1 ZINC000001456418 563284288 /nfs/dbraw/zinc/28/42/88/563284288.db2.gz CCLLWLNSKKMMFB-UHFFFAOYSA-N 1 2 306.413 4.373 40 0 DIABLO CSc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N)[nH+]1 ZINC000049467408 563467418 /nfs/dbraw/zinc/46/74/18/563467418.db2.gz PUGGPSNAOGOCBQ-UHFFFAOYSA-N 1 2 324.409 4.317 40 0 DIABLO CSc1nc(N)cc(Nc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000049467408 563467421 /nfs/dbraw/zinc/46/74/21/563467421.db2.gz PUGGPSNAOGOCBQ-UHFFFAOYSA-N 1 2 324.409 4.317 40 0 DIABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@H+]1CCCC[C@@H]1C ZINC000216866699 563711994 /nfs/dbraw/zinc/71/19/94/563711994.db2.gz SWYFPYSFNCHKLZ-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@@H+]1CCCC[C@@H]1C ZINC000216866699 563711999 /nfs/dbraw/zinc/71/19/99/563711999.db2.gz SWYFPYSFNCHKLZ-HNNXBMFYSA-N 1 2 323.440 4.208 40 0 DIABLO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)[nH+]cn1 ZINC000329066873 563834598 /nfs/dbraw/zinc/83/45/98/563834598.db2.gz YDSCFFFVGCRBBH-HNNXBMFYSA-N 1 2 322.456 4.172 40 0 DIABLO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)nc[nH+]1 ZINC000329066873 563834602 /nfs/dbraw/zinc/83/46/02/563834602.db2.gz YDSCFFFVGCRBBH-HNNXBMFYSA-N 1 2 322.456 4.172 40 0 DIABLO Cc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1 ZINC000226254439 563913329 /nfs/dbraw/zinc/91/33/29/563913329.db2.gz OJJFIKZFQDOQPA-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1 ZINC000226254439 563913331 /nfs/dbraw/zinc/91/33/31/563913331.db2.gz OJJFIKZFQDOQPA-OAHLLOKOSA-N 1 2 323.440 4.208 40 0 DIABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329007247 563960056 /nfs/dbraw/zinc/96/00/56/563960056.db2.gz LKBHOCVYGZNOAA-UHFFFAOYSA-N 1 2 310.445 4.925 40 0 DIABLO