smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1C(C)=Nc2c(N)cccc2N1C 100283938 534452589 /nfs/dbraw/zinc/45/25/89/534452589.db2.gz UFFZKYLMWZNDSU-UHFFFAOYSA-N 0 3 187.246 2.325 10 0 AEAEHN CCC[C@H]1NCCCn2cc(C)nc21 675068757 537777166 /nfs/dbraw/zinc/77/71/66/537777166.db2.gz SHQPUBURRMEDAB-SNVBAGLBSA-N 0 3 193.294 2.026 10 0 AEAEHN CC(C)(C)[C@H]1CC[C@@H]2NCCO[C@@H]2C1 675067849 537777848 /nfs/dbraw/zinc/77/78/48/537777848.db2.gz KAGKJCYSMVQJJP-GARJFASQSA-N 0 3 197.322 2.190 10 0 AEAEHN CC(C)(C)[C@@H]1CC[C@@H]2NCCO[C@@H]2C1 675067852 537778745 /nfs/dbraw/zinc/77/87/45/537778745.db2.gz KAGKJCYSMVQJJP-OUAUKWLOSA-N 0 3 197.322 2.190 10 0 AEAEHN CCC[C@@H]1NCCCn2cc(C)nc21 675068756 537778918 /nfs/dbraw/zinc/77/89/18/537778918.db2.gz SHQPUBURRMEDAB-JTQLQIEISA-N 0 3 193.294 2.026 10 0 AEAEHN CC1(C)C[C@@H]2NCCO[C@@H]2C(C)(C)C1 675067463 537779499 /nfs/dbraw/zinc/77/94/99/537779499.db2.gz DYCREEVKERYWQW-UWVGGRQHSA-N 0 3 197.322 2.190 10 0 AEAEHN CC(C)N[C@H]1Cc2cccc(F)c21 675069887 537780175 /nfs/dbraw/zinc/78/01/75/537780175.db2.gz LVIGIIGVAVVESE-JTQLQIEISA-N 0 3 179.238 2.421 10 0 AEAEHN CC(C)N[C@@H]1Cc2ccc(F)cc21 675069138 537780652 /nfs/dbraw/zinc/78/06/52/537780652.db2.gz BZCOKMPVRFYRAV-LLVKDONJSA-N 0 3 179.238 2.421 10 0 AEAEHN CCN[C@@H]1Cc2cccc(F)c21 675069845 537780769 /nfs/dbraw/zinc/78/07/69/537780769.db2.gz LBVNNYCBJULJRR-SECBINFHSA-N 0 3 165.211 2.032 10 0 AEAEHN CCN[C@H]1Cc2ccc(F)cc21 675070237 537780798 /nfs/dbraw/zinc/78/07/98/537780798.db2.gz SYGRLFAHKNWUTO-JTQLQIEISA-N 0 3 165.211 2.032 10 0 AEAEHN CCCN[C@H]1Cc2ccc(F)cc21 675070124 537780879 /nfs/dbraw/zinc/78/08/79/537780879.db2.gz PVRFMTOLUJSPFW-NSHDSACASA-N 0 3 179.238 2.423 10 0 AEAEHN CC[C@@H](C)CNCc1ccccn1 20091666 537781622 /nfs/dbraw/zinc/78/16/22/537781622.db2.gz KIRBHTVPMFBFDE-SNVBAGLBSA-N 0 3 178.279 2.217 10 0 AEAEHN CC(C)N[C@H]1Cc2ccc(F)cc21 675069145 537781733 /nfs/dbraw/zinc/78/17/33/537781733.db2.gz BZCOKMPVRFYRAV-NSHDSACASA-N 0 3 179.238 2.421 10 0 AEAEHN CC(C)N[C@@H]1Cc2cccc(F)c21 675069890 537782019 /nfs/dbraw/zinc/78/20/19/537782019.db2.gz LVIGIIGVAVVESE-SNVBAGLBSA-N 0 3 179.238 2.421 10 0 AEAEHN CCN[C@@H]1Cc2ccc(F)cc21 675070238 537782037 /nfs/dbraw/zinc/78/20/37/537782037.db2.gz SYGRLFAHKNWUTO-SNVBAGLBSA-N 0 3 165.211 2.032 10 0 AEAEHN CCN[C@H]1Cc2cccc(F)c21 675069847 537782317 /nfs/dbraw/zinc/78/23/17/537782317.db2.gz LBVNNYCBJULJRR-VIFPVBQESA-N 0 3 165.211 2.032 10 0 AEAEHN CCCN[C@@H]1Cc2cccc(F)c21 675069219 537782442 /nfs/dbraw/zinc/78/24/42/537782442.db2.gz CWMTXVJDCVNJIX-SNVBAGLBSA-N 0 3 179.238 2.423 10 0 AEAEHN CCCN[C@@H]1Cc2ccc(F)cc21 675070123 537782482 /nfs/dbraw/zinc/78/24/82/537782482.db2.gz PVRFMTOLUJSPFW-LLVKDONJSA-N 0 3 179.238 2.423 10 0 AEAEHN CCCN[C@H]1Cc2cccc(F)c21 675069211 537782489 /nfs/dbraw/zinc/78/24/89/537782489.db2.gz CWMTXVJDCVNJIX-JTQLQIEISA-N 0 3 179.238 2.423 10 0 AEAEHN Fc1ccc2c(c1)[C@@H](NC1CC1)C2 675069582 537782554 /nfs/dbraw/zinc/78/25/54/537782554.db2.gz IQEYCYLTUCECRL-NSHDSACASA-N 0 3 177.222 2.175 10 0 AEAEHN Fc1ccc2c(c1)[C@H](NC1CC1)C2 675069578 537782593 /nfs/dbraw/zinc/78/25/93/537782593.db2.gz IQEYCYLTUCECRL-LLVKDONJSA-N 0 3 177.222 2.175 10 0 AEAEHN CC[C@H](C)CNCc1ccccn1 20091668 537782924 /nfs/dbraw/zinc/78/29/24/537782924.db2.gz KIRBHTVPMFBFDE-JTQLQIEISA-N 0 3 178.279 2.217 10 0 AEAEHN CC[C@@H](C)NCc1ncc(C)s1 22862412 537786181 /nfs/dbraw/zinc/78/61/81/537786181.db2.gz HMNKOTLWOXAUTC-SSDOTTSWSA-N 0 3 184.308 2.340 10 0 AEAEHN CCCn1nc(C)c(CNCC)c1C 26545823 537787646 /nfs/dbraw/zinc/78/76/46/537787646.db2.gz CBAFLVJHIBGQMH-UHFFFAOYSA-N 0 3 195.310 2.019 10 0 AEAEHN CC[C@H](C)NCc1ncc(C)s1 22862416 537789436 /nfs/dbraw/zinc/78/94/36/537789436.db2.gz HMNKOTLWOXAUTC-ZETCQYMHSA-N 0 3 184.308 2.340 10 0 AEAEHN CC[C@@H](C)NCc1cccc(C)n1 38065418 537822672 /nfs/dbraw/zinc/82/26/72/537822672.db2.gz HKQDFVXFNOWBQD-SECBINFHSA-N 0 3 178.279 2.278 10 0 AEAEHN c1cc2c(cc1C1CC1)OCCNC2 685948421 537824373 /nfs/dbraw/zinc/82/43/73/537824373.db2.gz NIQQFIRNNBTQID-UHFFFAOYSA-N 0 3 189.258 2.046 10 0 AEAEHN CC[C@H](C)NCc1cccc(C)n1 38065419 537826138 /nfs/dbraw/zinc/82/61/38/537826138.db2.gz HKQDFVXFNOWBQD-VIFPVBQESA-N 0 3 178.279 2.278 10 0 AEAEHN Cc1cc(C(C)C)cc(N)n1 39048555 537829457 /nfs/dbraw/zinc/82/94/57/537829457.db2.gz PJKOVRRVRNUPDH-UHFFFAOYSA-N 0 3 150.225 2.096 10 0 AEAEHN CC[C@H](C)N[C@H](CO)c1ccsc1 38116371 537829528 /nfs/dbraw/zinc/82/95/28/537829528.db2.gz WEAVVEBWRAKSKT-WCBMZHEXSA-N 0 3 199.319 2.170 10 0 AEAEHN COC[C@H](NC(C)C)c1ccccc1 38220880 537829588 /nfs/dbraw/zinc/82/95/88/537829588.db2.gz NXUQITGNVFPMGS-LBPRGKRZSA-N 0 3 193.290 2.372 10 0 AEAEHN CC(C)CN[C@@H](CO)c1ccsc1 38122109 537829616 /nfs/dbraw/zinc/82/96/16/537829616.db2.gz ZMIUEZAVSUEILB-JTQLQIEISA-N 0 3 199.319 2.027 10 0 AEAEHN CC[C@H](C)N[C@@H](CO)c1ccsc1 38116369 537830645 /nfs/dbraw/zinc/83/06/45/537830645.db2.gz WEAVVEBWRAKSKT-WPRPVWTQSA-N 0 3 199.319 2.170 10 0 AEAEHN CC(C)CN[C@H](CO)c1ccsc1 38122110 537831232 /nfs/dbraw/zinc/83/12/32/537831232.db2.gz ZMIUEZAVSUEILB-SNVBAGLBSA-N 0 3 199.319 2.027 10 0 AEAEHN CC[C@@H](C)N[C@@H](CO)c1ccsc1 38116368 537831494 /nfs/dbraw/zinc/83/14/94/537831494.db2.gz WEAVVEBWRAKSKT-SCZZXKLOSA-N 0 3 199.319 2.170 10 0 AEAEHN CC[C@@H](O)CN[C@@H](C)c1ccc(C)o1 38097766 537831530 /nfs/dbraw/zinc/83/15/30/537831530.db2.gz HLCFUHFIFFDEOD-VHSXEESVSA-N 0 3 197.278 2.010 10 0 AEAEHN CC[C@@H](O)CN[C@H](C)c1ccc(C)o1 38097768 537831729 /nfs/dbraw/zinc/83/17/29/537831729.db2.gz HLCFUHFIFFDEOD-NXEZZACHSA-N 0 3 197.278 2.010 10 0 AEAEHN CC[C@@H](C)N[C@H](CO)c1ccsc1 38116370 537832191 /nfs/dbraw/zinc/83/21/91/537832191.db2.gz WEAVVEBWRAKSKT-PSASIEDQSA-N 0 3 199.319 2.170 10 0 AEAEHN Cc1cc(CNCC2CCCC2)on1 44990928 537851616 /nfs/dbraw/zinc/85/16/16/537851616.db2.gz JROUTQMNGCUDSF-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN CCc1oc(C(C)C)cc1CN 77075789 537871763 /nfs/dbraw/zinc/87/17/63/537871763.db2.gz CTUXPBCLXOYVTI-UHFFFAOYSA-N 0 3 167.252 2.424 10 0 AEAEHN C=C(OCC)c1ccc([C@@H](C)N)nc1 685965035 537872579 /nfs/dbraw/zinc/87/25/79/537872579.db2.gz LUAKBXAVBRBQAR-MRVPVSSYSA-N 0 3 192.262 2.109 10 0 AEAEHN C=C(OCC)c1cccc2c1CNC2 685965033 537873270 /nfs/dbraw/zinc/87/32/70/537873270.db2.gz LSWXWHNJXMQJED-UHFFFAOYSA-N 0 3 189.258 2.297 10 0 AEAEHN C=C(OCC)c1ccoc1CNCC 685964974 537873772 /nfs/dbraw/zinc/87/37/72/537873772.db2.gz JARFOBJPWGCMRN-UHFFFAOYSA-N 0 3 195.262 2.396 10 0 AEAEHN C=C(OCC)c1ccsc1CN 685965009 537873864 /nfs/dbraw/zinc/87/38/64/537873864.db2.gz KODRDUSZPCWNFM-UHFFFAOYSA-N 0 3 183.276 2.214 10 0 AEAEHN C=C(OCC)c1ccc([C@H](C)N)nc1 685965036 537873908 /nfs/dbraw/zinc/87/39/08/537873908.db2.gz LUAKBXAVBRBQAR-QMMMGPOBSA-N 0 3 192.262 2.109 10 0 AEAEHN C=C(OCC)c1cccc(F)c1CN 685964815 537874224 /nfs/dbraw/zinc/87/42/24/537874224.db2.gz FDFUZNPIOWNKQM-UHFFFAOYSA-N 0 3 195.237 2.292 10 0 AEAEHN C=C(OCC)c1ccc(CNCC)o1 685964812 537874268 /nfs/dbraw/zinc/87/42/68/537874268.db2.gz FAZWWLZQTJVNQG-UHFFFAOYSA-N 0 3 195.262 2.396 10 0 AEAEHN C=C(OCC)c1cccc(CN)c1F 685964958 537874907 /nfs/dbraw/zinc/87/49/07/537874907.db2.gz IINDMKJCPSHAIZ-UHFFFAOYSA-N 0 3 195.237 2.292 10 0 AEAEHN C=C(OCC)c1ccc2c(c1)CNC2 685964969 537875107 /nfs/dbraw/zinc/87/51/07/537875107.db2.gz IULGGJRWMOFMIL-UHFFFAOYSA-N 0 3 189.258 2.297 10 0 AEAEHN C=C(OCC)c1cc(CN)cs1 685964805 537875144 /nfs/dbraw/zinc/87/51/44/537875144.db2.gz DVSVHPJGVLSGMG-UHFFFAOYSA-N 0 3 183.276 2.214 10 0 AEAEHN C=C(OCC)c1ccc(CN)c(F)c1 685965076 537875207 /nfs/dbraw/zinc/87/52/07/537875207.db2.gz OAQZBRSFXWWUIX-UHFFFAOYSA-N 0 3 195.237 2.292 10 0 AEAEHN C=C(OCC)c1cscc1CNC 685965201 537875876 /nfs/dbraw/zinc/87/58/76/537875876.db2.gz SXUXSARSWYMMDI-UHFFFAOYSA-N 0 3 197.303 2.475 10 0 AEAEHN CC[C@]1(C2CC2)NCCc2occc21 709974853 537876338 /nfs/dbraw/zinc/87/63/38/537876338.db2.gz JOEOCNRRPXOXBS-GFCCVEGCSA-N 0 3 191.274 2.441 10 0 AEAEHN CC[C@@]1(C2CC2)NCCc2occc21 709975003 537876459 /nfs/dbraw/zinc/87/64/59/537876459.db2.gz JOEOCNRRPXOXBS-LBPRGKRZSA-N 0 3 191.274 2.441 10 0 AEAEHN C=C(OCC)c1ccc(F)c(CN)c1 685965165 537876716 /nfs/dbraw/zinc/87/67/16/537876716.db2.gz RPVCLVLGSLQNCF-UHFFFAOYSA-N 0 3 195.237 2.292 10 0 AEAEHN C=C(OCC)c1ccc(CN)s1 685965215 537877206 /nfs/dbraw/zinc/87/72/06/537877206.db2.gz UHLBTLFZILJWAY-UHFFFAOYSA-N 0 3 183.276 2.214 10 0 AEAEHN C=C(OCC)c1ccc(CNC)o1 685965528 537877711 /nfs/dbraw/zinc/87/77/11/537877711.db2.gz IHAKBXHZVZLARW-UHFFFAOYSA-N 0 3 181.235 2.006 10 0 AEAEHN C=C(OCC)c1ccc(F)cc1CN 685965102 537877755 /nfs/dbraw/zinc/87/77/55/537877755.db2.gz OWXZSNGNWDLHBJ-UHFFFAOYSA-N 0 3 195.237 2.292 10 0 AEAEHN C=C(OCC)c1ccoc1CNC 685965212 537877788 /nfs/dbraw/zinc/87/77/88/537877788.db2.gz UFFPJXQPAGKOAS-UHFFFAOYSA-N 0 3 181.235 2.006 10 0 AEAEHN C=C(OCC)c1csc(CN)c1 685965127 537877905 /nfs/dbraw/zinc/87/79/05/537877905.db2.gz PODGVXBSMMNPTJ-UHFFFAOYSA-N 0 3 183.276 2.214 10 0 AEAEHN C=C(OCC)c1cc(CNC)cs1 685965085 537878364 /nfs/dbraw/zinc/87/83/64/537878364.db2.gz OHFAPRDJCBPHPK-UHFFFAOYSA-N 0 3 197.303 2.475 10 0 AEAEHN CC[C@H](C)NCc1nccn1C1CC1 711782769 537880739 /nfs/dbraw/zinc/88/07/39/537880739.db2.gz IWMNZONNQBETJU-VIFPVBQESA-N 0 3 193.294 2.106 10 0 AEAEHN CCCCNCc1nccn1C1CC1 711773639 537881823 /nfs/dbraw/zinc/88/18/23/537881823.db2.gz JHASTWXPCIDBNI-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN CC(C)(C)NCc1nccn1C1CC1 711784266 537882154 /nfs/dbraw/zinc/88/21/54/537882154.db2.gz NUWTVGYPAJSJIM-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN CC[C@@H](C)NCc1nccn1C1CC1 711782766 537882241 /nfs/dbraw/zinc/88/22/41/537882241.db2.gz IWMNZONNQBETJU-SECBINFHSA-N 0 3 193.294 2.106 10 0 AEAEHN CCCc1ccc(CN)c(F)c1 722355631 537884021 /nfs/dbraw/zinc/88/40/21/537884021.db2.gz FSDDYUQAKDSTGU-UHFFFAOYSA-N 0 3 167.227 2.237 10 0 AEAEHN CCCc1cccc(CN)c1F 722357156 537885059 /nfs/dbraw/zinc/88/50/59/537885059.db2.gz VBJRYQRQRSZVRH-UHFFFAOYSA-N 0 3 167.227 2.237 10 0 AEAEHN C[C@@H]1CCC[C@H](c2ccncc2F)N1 725242647 537892308 /nfs/dbraw/zinc/89/23/08/537892308.db2.gz PWJSPZMRHYYVNG-LDYMZIIASA-N 0 3 194.253 2.424 10 0 AEAEHN C[C@H]1CCC[C@H](c2ccncc2F)N1 725242644 537892555 /nfs/dbraw/zinc/89/25/55/537892555.db2.gz PWJSPZMRHYYVNG-GZMMTYOYSA-N 0 3 194.253 2.424 10 0 AEAEHN C[C@H]1CCC[C@@H](c2ccncc2F)N1 725242646 537892848 /nfs/dbraw/zinc/89/28/48/537892848.db2.gz PWJSPZMRHYYVNG-KWQFWETISA-N 0 3 194.253 2.424 10 0 AEAEHN C[C@@H]1CCC[C@@H](c2ccncc2F)N1 725242645 537893123 /nfs/dbraw/zinc/89/31/23/537893123.db2.gz PWJSPZMRHYYVNG-KCJUWKMLSA-N 0 3 194.253 2.424 10 0 AEAEHN Cc1cc(N)c2cnccc2c1 725246495 537896505 /nfs/dbraw/zinc/89/65/05/537896505.db2.gz NUUIBDKZXFSGMR-UHFFFAOYSA-N 0 3 158.204 2.125 10 0 AEAEHN CC(C)(C)C[C@H]1NCCc2nc[nH]c21 84258743 537906233 /nfs/dbraw/zinc/90/62/33/537906233.db2.gz NIAVOPGAJJUVSK-SECBINFHSA-N 0 3 193.294 2.033 10 0 AEAEHN CC(C)(C)C[C@@H]1NCCc2nc[nH]c21 84258748 537907212 /nfs/dbraw/zinc/90/72/12/537907212.db2.gz NIAVOPGAJJUVSK-VIFPVBQESA-N 0 3 193.294 2.033 10 0 AEAEHN NCc1nsc2c(Cl)cccc12 725254169 537917181 /nfs/dbraw/zinc/91/71/81/537917181.db2.gz PFDGLMLTNDWEAA-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN Cc1cccc2c(CN)nsc12 725254051 537917287 /nfs/dbraw/zinc/91/72/87/537917287.db2.gz CYTHUMNVCVABME-UHFFFAOYSA-N 0 3 178.260 2.063 10 0 AEAEHN Cc1ccc2c(CN)nsc2c1 725254065 537917494 /nfs/dbraw/zinc/91/74/94/537917494.db2.gz FCGCSDPJRKFHBW-UHFFFAOYSA-N 0 3 178.260 2.063 10 0 AEAEHN NCc1nsc2cc(Cl)ccc12 725254127 537917618 /nfs/dbraw/zinc/91/76/18/537917618.db2.gz LFNCNWILWJVTTF-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN CCCc1cc(OC)c(CN)cc1F 725254193 537917712 /nfs/dbraw/zinc/91/77/12/537917712.db2.gz SEWFKXPEICQGPC-UHFFFAOYSA-N 0 3 197.253 2.246 10 0 AEAEHN CC(C)CC[C@](C)(N)c1ncccn1 725255217 537917894 /nfs/dbraw/zinc/91/78/94/537917894.db2.gz WMRMDJFTCSVEDP-NSHDSACASA-N 0 3 193.294 2.087 10 0 AEAEHN Cc1ccc2c(CN)nsc2c1F 725254196 537917942 /nfs/dbraw/zinc/91/79/42/537917942.db2.gz SLCJOGLLGJWBOB-UHFFFAOYSA-N 0 3 196.250 2.203 10 0 AEAEHN CCCc1c(F)ccc(CN)c1F 725254250 537918116 /nfs/dbraw/zinc/91/81/16/537918116.db2.gz ZAIAKWJTHWLZSN-UHFFFAOYSA-N 0 3 185.217 2.376 10 0 AEAEHN Cc1cc2c(CN)nsc2cc1F 725254118 537918129 /nfs/dbraw/zinc/91/81/29/537918129.db2.gz JHWMNITUJYUGOU-UHFFFAOYSA-N 0 3 196.250 2.203 10 0 AEAEHN NCc1nsc2cccc(Cl)c12 725254092 537918317 /nfs/dbraw/zinc/91/83/17/537918317.db2.gz HFYWHONUXYSGGC-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN Cc1ccc(F)c2c(CN)nsc12 725254059 537918891 /nfs/dbraw/zinc/91/88/91/537918891.db2.gz DHGNZKVPLOHZSL-UHFFFAOYSA-N 0 3 196.250 2.203 10 0 AEAEHN Cc1cc2snc(CN)c2cc1F 725254140 537919629 /nfs/dbraw/zinc/91/96/29/537919629.db2.gz MSLYMDRWSDXJLZ-UHFFFAOYSA-N 0 3 196.250 2.203 10 0 AEAEHN Cc1ccc2snc(CN)c2c1F 725254018 537919809 /nfs/dbraw/zinc/91/98/09/537919809.db2.gz AHANOJKYOWHYPE-UHFFFAOYSA-N 0 3 196.250 2.203 10 0 AEAEHN CC(C)CC[C@@](C)(N)c1ncccn1 725255216 537919865 /nfs/dbraw/zinc/91/98/65/537919865.db2.gz WMRMDJFTCSVEDP-LLVKDONJSA-N 0 3 193.294 2.087 10 0 AEAEHN Cc1ccc2c(CN)coc2c1 107400670 537960998 /nfs/dbraw/zinc/96/09/98/537960998.db2.gz SNCJNPYKIANSLL-UHFFFAOYSA-N 0 3 161.204 2.200 10 0 AEAEHN CC(C)C(=O)CCCN1CCCC1 114618360 537966784 /nfs/dbraw/zinc/96/67/84/537966784.db2.gz GAGDGCGHJSGVJU-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CC(C)C(=O)CCCN1CCCCC1 114618750 537967636 /nfs/dbraw/zinc/96/76/36/537967636.db2.gz ZPHMXHCWYOQUMS-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN COc1ccc(F)c(CNC2CC2)c1 114484160 537968353 /nfs/dbraw/zinc/96/83/53/537968353.db2.gz CUPDQCKBQJVOMC-UHFFFAOYSA-N 0 3 195.237 2.086 10 0 AEAEHN CCC[C@H](C)N1CCOC(C)(C)C1 145208549 538000215 /nfs/dbraw/zinc/00/02/15/538000215.db2.gz CLXZRGGVMUGECK-JTQLQIEISA-N 0 3 185.311 2.286 10 0 AEAEHN Nc1c2c(nc3ccccc13)CCCN2 145688605 538001150 /nfs/dbraw/zinc/00/11/50/538001150.db2.gz IDWMDALGDBWSFP-UHFFFAOYSA-N 0 3 199.257 2.175 10 0 AEAEHN CCC[C@@H](C)N1CCOC(C)(C)C1 145208343 538001348 /nfs/dbraw/zinc/00/13/48/538001348.db2.gz CLXZRGGVMUGECK-SNVBAGLBSA-N 0 3 185.311 2.286 10 0 AEAEHN c1ncc(CNCCCC2CC2)s1 157472056 538024446 /nfs/dbraw/zinc/02/44/46/538024446.db2.gz SCHKQVDUDMLCCY-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN Cc1nc(C)c(CNC(C)(C)C)o1 159421014 538036088 /nfs/dbraw/zinc/03/60/88/538036088.db2.gz SNCNRMJHLSTRLV-UHFFFAOYSA-N 0 3 182.267 2.180 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1cccnc1 165062649 538149179 /nfs/dbraw/zinc/14/91/79/538149179.db2.gz JTTRQBXNRSWADM-VXGBXAGGSA-N 0 3 190.290 2.360 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1ccccn1 165062169 538149555 /nfs/dbraw/zinc/14/95/55/538149555.db2.gz FMVGMTOSDCASTQ-ZYHUDNBSSA-N 0 3 190.290 2.360 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1ccncc1 165055441 538150234 /nfs/dbraw/zinc/15/02/34/538150234.db2.gz WEAHXKKPHCCMBE-VXGBXAGGSA-N 0 3 190.290 2.360 10 0 AEAEHN CC1(CNCc2cscn2)CCC1 165481168 538153458 /nfs/dbraw/zinc/15/34/58/538153458.db2.gz VKYXCTIZSKJBCN-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN CC1(CNCc2ccccn2)CCC1 165476803 538153711 /nfs/dbraw/zinc/15/37/11/538153711.db2.gz BCLSVTKDUMTQMR-UHFFFAOYSA-N 0 3 190.290 2.361 10 0 AEAEHN CCN(C)Cc1cccc(OC)c1 166013175 538157780 /nfs/dbraw/zinc/15/77/80/538157780.db2.gz GARYLUBUGIDGKY-UHFFFAOYSA-N 0 3 179.263 2.147 10 0 AEAEHN Cc1ncc([C@H](C)NC(C)C)c(C)n1 166292555 538159818 /nfs/dbraw/zinc/15/98/18/538159818.db2.gz NNBGJJSWCVHFHK-QMMMGPOBSA-N 0 3 193.294 2.152 10 0 AEAEHN Cc1ncc([C@@H](C)NC(C)C)c(C)n1 166292428 538160614 /nfs/dbraw/zinc/16/06/14/538160614.db2.gz NNBGJJSWCVHFHK-MRVPVSSYSA-N 0 3 193.294 2.152 10 0 AEAEHN Cc1cccc(CNC2CC(C)C2)n1 166621078 538161407 /nfs/dbraw/zinc/16/14/07/538161407.db2.gz BGCHEUVGRVNSOA-UHFFFAOYSA-N 0 3 190.290 2.278 10 0 AEAEHN Cc1cccc(CNC[C@@H]2C[C@@H]2C)n1 166948029 538167236 /nfs/dbraw/zinc/16/72/36/538167236.db2.gz GIYPPKPTPPTLIE-ONGXEEELSA-N 0 3 190.290 2.136 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1cncc(F)c1 167296346 538167813 /nfs/dbraw/zinc/16/78/13/538167813.db2.gz OYAPZYATSFLSTR-FYBVGQRMSA-N 0 3 194.253 2.280 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1cncc(F)c1 167296649 538167942 /nfs/dbraw/zinc/16/79/42/538167942.db2.gz OYAPZYATSFLSTR-DKCNOQQISA-N 0 3 194.253 2.280 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1cncc(F)c1 167296547 538168494 /nfs/dbraw/zinc/16/84/94/538168494.db2.gz OYAPZYATSFLSTR-VHSKPIJISA-N 0 3 194.253 2.280 10 0 AEAEHN Cc1cccc(CNC[C@H]2C[C@H]2C)n1 166948337 538169158 /nfs/dbraw/zinc/16/91/58/538169158.db2.gz GIYPPKPTPPTLIE-MWLCHTKSSA-N 0 3 190.290 2.136 10 0 AEAEHN Cc1cccc(CNC[C@@H]2C[C@H]2C)n1 166948230 538169301 /nfs/dbraw/zinc/16/93/01/538169301.db2.gz GIYPPKPTPPTLIE-KOLCDFICSA-N 0 3 190.290 2.136 10 0 AEAEHN Cc1cccc(CNC[C@H]2C[C@@H]2C)n1 166948125 538169705 /nfs/dbraw/zinc/16/97/05/538169705.db2.gz GIYPPKPTPPTLIE-GXSJLCMTSA-N 0 3 190.290 2.136 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1cncc(F)c1 167296449 538170441 /nfs/dbraw/zinc/17/04/41/538170441.db2.gz OYAPZYATSFLSTR-LAEOZQHASA-N 0 3 194.253 2.280 10 0 AEAEHN CCc1cc(CN[C@H](C)CC)on1 168171374 538175962 /nfs/dbraw/zinc/17/59/62/538175962.db2.gz BKLIORCNGSVWRH-MRVPVSSYSA-N 0 3 182.267 2.125 10 0 AEAEHN CCc1cc(CN[C@@H](C)CC)on1 168171282 538177244 /nfs/dbraw/zinc/17/72/44/538177244.db2.gz BKLIORCNGSVWRH-QMMMGPOBSA-N 0 3 182.267 2.125 10 0 AEAEHN c1cc2c(o1)CCNC21CCCC1 212015871 538189201 /nfs/dbraw/zinc/18/92/01/538189201.db2.gz CSKSCZZUOZLMFH-UHFFFAOYSA-N 0 3 177.247 2.195 10 0 AEAEHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccoc1 222320362 538194464 /nfs/dbraw/zinc/19/44/64/538194464.db2.gz HAVZFGDKQOGZBN-GUBZILKMSA-N 0 3 197.278 2.354 10 0 AEAEHN COC1CC(NCc2ccsc2)C1 230689577 538214265 /nfs/dbraw/zinc/21/42/65/538214265.db2.gz ILRGTOORGQYYMC-UHFFFAOYSA-N 0 3 197.303 2.015 10 0 AEAEHN CC(C)C[C@@H](C)NCc1ccno1 230973105 538217091 /nfs/dbraw/zinc/21/70/91/538217091.db2.gz AKDRAZKTIFZMCX-SECBINFHSA-N 0 3 182.267 2.199 10 0 AEAEHN CC(C)C[C@H](C)NCc1ccno1 230973108 538217550 /nfs/dbraw/zinc/21/75/50/538217550.db2.gz AKDRAZKTIFZMCX-VIFPVBQESA-N 0 3 182.267 2.199 10 0 AEAEHN CC(C)=CCNCc1cnccc1C 232618969 538226977 /nfs/dbraw/zinc/22/69/77/538226977.db2.gz FBDWIYVUEAYEMG-UHFFFAOYSA-N 0 3 190.290 2.446 10 0 AEAEHN CC(C)=CCNCc1ccn(C)c1 232618009 538227289 /nfs/dbraw/zinc/22/72/89/538227289.db2.gz AKCDWYICAGFPNL-UHFFFAOYSA-N 0 3 178.279 2.081 10 0 AEAEHN Cc1ccncc1[C@H](C)N[C@@H]1C[C@H]1C 252738254 538278660 /nfs/dbraw/zinc/27/86/60/538278660.db2.gz AGEMFNXNAZPBRH-JFGNBEQYSA-N 0 3 190.290 2.449 10 0 AEAEHN Cc1ccncc1[C@H](C)N[C@H]1C[C@H]1C 252738257 538278798 /nfs/dbraw/zinc/27/87/98/538278798.db2.gz AGEMFNXNAZPBRH-SCVCMEIPSA-N 0 3 190.290 2.449 10 0 AEAEHN C[C@H]1CCC[C@H](n2cnc(CN)c2)C1 300753355 538295165 /nfs/dbraw/zinc/29/51/65/538295165.db2.gz SLZYTOIXTJQCPT-ONGXEEELSA-N 0 3 193.294 2.093 10 0 AEAEHN CC1CCC(n2cnc(CN)c2)CC1 300735274 538295274 /nfs/dbraw/zinc/29/52/74/538295274.db2.gz KTCURMJIYSTTKX-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@@H]1CCC[C@@H](n2cnc(CN)c2)C1 300753353 538295485 /nfs/dbraw/zinc/29/54/85/538295485.db2.gz SLZYTOIXTJQCPT-MWLCHTKSSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CCC[C@@H](n2cnc(CN)c2)C1 300753349 538295654 /nfs/dbraw/zinc/29/56/54/538295654.db2.gz SLZYTOIXTJQCPT-GXSJLCMTSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@@H]1CCC[C@H](n2cnc(CN)c2)C1 300753351 538295821 /nfs/dbraw/zinc/29/58/21/538295821.db2.gz SLZYTOIXTJQCPT-KOLCDFICSA-N 0 3 193.294 2.093 10 0 AEAEHN CCC[C@@H](CC)n1cnc(CN)c1 300750893 538296366 /nfs/dbraw/zinc/29/63/66/538296366.db2.gz RFINMUKLPPGRBY-SNVBAGLBSA-N 0 3 181.283 2.093 10 0 AEAEHN CCC[C@H](CC)n1cnc(CN)c1 300750892 538296413 /nfs/dbraw/zinc/29/64/13/538296413.db2.gz RFINMUKLPPGRBY-JTQLQIEISA-N 0 3 181.283 2.093 10 0 AEAEHN CCCN(CCC)CCF 306426691 538304130 /nfs/dbraw/zinc/30/41/30/538304130.db2.gz BCQZJOGWUSRAII-UHFFFAOYSA-N 0 3 147.237 2.078 10 0 AEAEHN CC[C@H](C)C[C@@H]1NCCc2nc[nH]c21 307239854 538314000 /nfs/dbraw/zinc/31/40/00/538314000.db2.gz GRJAQWYAXCTBSJ-WPRPVWTQSA-N 0 3 193.294 2.033 10 0 AEAEHN CC[C@@H](C)C[C@@H]1NCCc2nc[nH]c21 307239852 538314493 /nfs/dbraw/zinc/31/44/93/538314493.db2.gz GRJAQWYAXCTBSJ-SCZZXKLOSA-N 0 3 193.294 2.033 10 0 AEAEHN CC[C@@H](C)C[C@H]1NCCc2nc[nH]c21 307239851 538314650 /nfs/dbraw/zinc/31/46/50/538314650.db2.gz GRJAQWYAXCTBSJ-PSASIEDQSA-N 0 3 193.294 2.033 10 0 AEAEHN CC[C@H](C)C[C@H]1NCCc2nc[nH]c21 307239853 538314719 /nfs/dbraw/zinc/31/47/19/538314719.db2.gz GRJAQWYAXCTBSJ-WCBMZHEXSA-N 0 3 193.294 2.033 10 0 AEAEHN CC(C)CCN(C)CC1(F)CC1 379323847 538343913 /nfs/dbraw/zinc/34/39/13/538343913.db2.gz UBMYKTRPGIWQEJ-UHFFFAOYSA-N 0 3 173.275 2.466 10 0 AEAEHN CN(CC(C)(C)C)CC1(F)CC1 379325204 538345241 /nfs/dbraw/zinc/34/52/41/538345241.db2.gz BGKGBCXNLWOBTM-UHFFFAOYSA-N 0 3 173.275 2.466 10 0 AEAEHN CCN(C)Cc1sccc1OC 379320455 538345337 /nfs/dbraw/zinc/34/53/37/538345337.db2.gz WQDAJGGLFYTKDK-UHFFFAOYSA-N 0 3 185.292 2.208 10 0 AEAEHN CCN(CC1(F)CC1)C1CCC1 379325539 538346572 /nfs/dbraw/zinc/34/65/72/538346572.db2.gz CTSVCZZBRQWFDJ-UHFFFAOYSA-N 0 3 171.259 2.363 10 0 AEAEHN FC(F)(F)CCNCC1(F)CC1 379327755 538348184 /nfs/dbraw/zinc/34/81/84/538348184.db2.gz MEFADGZKCMPTLY-UHFFFAOYSA-N 0 3 185.164 2.031 10 0 AEAEHN FC1(CNCc2cccs2)CC1 379336383 538355009 /nfs/dbraw/zinc/35/50/09/538355009.db2.gz PZPQCDQLPDLRJG-UHFFFAOYSA-N 0 3 185.267 2.340 10 0 AEAEHN CCOCCNCc1csc(C)c1 379344408 538357603 /nfs/dbraw/zinc/35/76/03/538357603.db2.gz QGGLBOVWGBPUOS-UHFFFAOYSA-N 0 3 199.319 2.183 10 0 AEAEHN CCC(C)(CC)NCc1cocn1 379352605 538358699 /nfs/dbraw/zinc/35/86/99/538358699.db2.gz BZPWVSULSVSZJC-UHFFFAOYSA-N 0 3 182.267 2.343 10 0 AEAEHN FC1(CNCCc2cccs2)CC1 379359920 538362730 /nfs/dbraw/zinc/36/27/30/538362730.db2.gz BELHNNHBXWJTDP-UHFFFAOYSA-N 0 3 199.294 2.382 10 0 AEAEHN CC(C)C(C)(C)NCc1cocn1 379379534 538374340 /nfs/dbraw/zinc/37/43/40/538374340.db2.gz CAHLUFZFQSJRFE-UHFFFAOYSA-N 0 3 182.267 2.199 10 0 AEAEHN CCNCc1c(F)cccc1CC 379383252 538377995 /nfs/dbraw/zinc/37/79/95/538377995.db2.gz KORRYCKWDAEPNF-UHFFFAOYSA-N 0 3 181.254 2.498 10 0 AEAEHN CN(Cc1ccc[nH]1)CC1(C)CC1 379383355 538378045 /nfs/dbraw/zinc/37/80/45/538378045.db2.gz GDPREMURBTZYDT-UHFFFAOYSA-N 0 3 178.279 2.247 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCOC1CCC1 379393608 538385568 /nfs/dbraw/zinc/38/55/68/538385568.db2.gz VFHGKWFNWNNPLK-NXEZZACHSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCOC1CCC1 379393607 538385824 /nfs/dbraw/zinc/38/58/24/538385824.db2.gz VFHGKWFNWNNPLK-AOOOYVTPSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCOC1CCC1 379393609 538386574 /nfs/dbraw/zinc/38/65/74/538386574.db2.gz VFHGKWFNWNNPLK-UWVGGRQHSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@@H](NCc1cocn1)[C@H]1CC1(C)C 379599153 538420043 /nfs/dbraw/zinc/42/00/43/538420043.db2.gz IWSKHWWAEHFGJQ-PSASIEDQSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@H](NCc1cocn1)[C@@H]1CC1(C)C 379599156 538420225 /nfs/dbraw/zinc/42/02/25/538420225.db2.gz IWSKHWWAEHFGJQ-WPRPVWTQSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@H](NCc1cocn1)[C@H]1CC1(C)C 379599155 538420887 /nfs/dbraw/zinc/42/08/87/538420887.db2.gz IWSKHWWAEHFGJQ-WCBMZHEXSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@@H](NCc1cocn1)[C@@H]1CC1(C)C 379599154 538421030 /nfs/dbraw/zinc/42/10/30/538421030.db2.gz IWSKHWWAEHFGJQ-SCZZXKLOSA-N 0 3 194.278 2.199 10 0 AEAEHN C/C=C\CN[C@@H](C)c1cncc(F)c1 379600572 538421246 /nfs/dbraw/zinc/42/12/46/538421246.db2.gz KZNXIYKYUDMICI-TYRPZCRBSA-N 0 3 194.253 2.447 10 0 AEAEHN C/C=C\CN[C@H](C)c1cncc(F)c1 379600573 538421987 /nfs/dbraw/zinc/42/19/87/538421987.db2.gz KZNXIYKYUDMICI-ZBJFTSOASA-N 0 3 194.253 2.447 10 0 AEAEHN C/C=C/CN[C@@H](C)c1cncc(F)c1 379600565 538422095 /nfs/dbraw/zinc/42/20/95/538422095.db2.gz KZNXIYKYUDMICI-NWALNABHSA-N 0 3 194.253 2.447 10 0 AEAEHN C/C=C/CN[C@H](C)c1cncc(F)c1 379600563 538422275 /nfs/dbraw/zinc/42/22/75/538422275.db2.gz KZNXIYKYUDMICI-CDAZIORVSA-N 0 3 194.253 2.447 10 0 AEAEHN C[C@H]1CCC[C@@H]1CNCc1cocn1 379617403 538422732 /nfs/dbraw/zinc/42/27/32/538422732.db2.gz AKLROHONMKPIGL-VHSXEESVSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@H]1CCC[C@H]1CNCc1cocn1 379617401 538423088 /nfs/dbraw/zinc/42/30/88/538423088.db2.gz AKLROHONMKPIGL-UWVGGRQHSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@@H]1CCC[C@H]1CNCc1cocn1 379617409 538424057 /nfs/dbraw/zinc/42/40/57/538424057.db2.gz AKLROHONMKPIGL-ZJUUUORDSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@@H]1CCC[C@@H]1CNCc1cocn1 379617399 538424095 /nfs/dbraw/zinc/42/40/95/538424095.db2.gz AKLROHONMKPIGL-NXEZZACHSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@@H](F)CCN[C@H](C)c1ccccn1 379640382 538424555 /nfs/dbraw/zinc/42/45/55/538424555.db2.gz UKYJYHUXMCFPGV-NXEZZACHSA-N 0 3 196.269 2.480 10 0 AEAEHN C[C@H](F)CCN[C@@H](C)c1ccccn1 379640383 538424642 /nfs/dbraw/zinc/42/46/42/538424642.db2.gz UKYJYHUXMCFPGV-UWVGGRQHSA-N 0 3 196.269 2.480 10 0 AEAEHN Cc1c[nH]nc1CNC[C@@H](C)C(C)C 379638889 538424746 /nfs/dbraw/zinc/42/47/46/538424746.db2.gz SUQUEYURLJFQKQ-SECBINFHSA-N 0 3 195.310 2.100 10 0 AEAEHN C[C@H](F)CCN[C@H](C)c1ccccn1 379640385 538424831 /nfs/dbraw/zinc/42/48/31/538424831.db2.gz UKYJYHUXMCFPGV-VHSXEESVSA-N 0 3 196.269 2.480 10 0 AEAEHN C[C@H](NCC[C@@H](C)F)c1ccccn1 379640386 538424869 /nfs/dbraw/zinc/42/48/69/538424869.db2.gz UKYJYHUXMCFPGV-ZJUUUORDSA-N 0 3 196.269 2.480 10 0 AEAEHN Cc1c[nH]nc1CNC[C@H](C)C(C)C 379638890 538424937 /nfs/dbraw/zinc/42/49/37/538424937.db2.gz SUQUEYURLJFQKQ-VIFPVBQESA-N 0 3 195.310 2.100 10 0 AEAEHN C[C@H](N[C@H](C)C(C)(C)O)c1ccoc1 379647662 538426003 /nfs/dbraw/zinc/42/60/03/538426003.db2.gz ZYEJJDDWEHUIPJ-DTWKUNHWSA-N 0 3 197.278 2.090 10 0 AEAEHN C[C@@H](N[C@H](C)C(C)(C)O)c1ccoc1 379647664 538426457 /nfs/dbraw/zinc/42/64/57/538426457.db2.gz ZYEJJDDWEHUIPJ-RKDXNWHRSA-N 0 3 197.278 2.090 10 0 AEAEHN CCC1(NCc2n[nH]cc2C)CCC1 379653176 538426619 /nfs/dbraw/zinc/42/66/19/538426619.db2.gz HTIVEPQAPSGDGJ-UHFFFAOYSA-N 0 3 193.294 2.140 10 0 AEAEHN CCCN(CC)CC1(F)CC1 388106830 538429645 /nfs/dbraw/zinc/42/96/45/538429645.db2.gz XIKWBQFGJUTNEH-UHFFFAOYSA-N 0 3 159.248 2.220 10 0 AEAEHN CCCN(C)Cc1cncc(C)c1 388273764 538431176 /nfs/dbraw/zinc/43/11/76/538431176.db2.gz HULLHJFXNKWHJD-UHFFFAOYSA-N 0 3 178.279 2.232 10 0 AEAEHN FC1(CCNCC2(F)CC2)CCC1 388276545 538431194 /nfs/dbraw/zinc/43/11/94/538431194.db2.gz JMXHWJJMKPVVAE-UHFFFAOYSA-N 0 3 189.249 2.360 10 0 AEAEHN CCCN(CC1(F)CC1)C1CC1 388415046 538432095 /nfs/dbraw/zinc/43/20/95/538432095.db2.gz AQAZLLOEZRESIA-UHFFFAOYSA-N 0 3 171.259 2.363 10 0 AEAEHN CN(CCC1CC1)CC1(F)CC1 388424301 538432167 /nfs/dbraw/zinc/43/21/67/538432167.db2.gz JKYQYRWFEANOAD-UHFFFAOYSA-N 0 3 171.259 2.220 10 0 AEAEHN C[C@@H]1C[C@@H]1CN(C)Cc1ccc[nH]1 388579206 538433186 /nfs/dbraw/zinc/43/31/86/538433186.db2.gz CYYIACBIUREAIY-NXEZZACHSA-N 0 3 178.279 2.103 10 0 AEAEHN CC(C)[C@@H](C)CNCc1cocn1 388591900 538434254 /nfs/dbraw/zinc/43/42/54/538434254.db2.gz AYAJTNINEDEDDL-VIFPVBQESA-N 0 3 182.267 2.056 10 0 AEAEHN CO[C@H]1C[C@@H](N(C)CC=C(C)C)C1 388628843 538435008 /nfs/dbraw/zinc/43/50/08/538435008.db2.gz HYTMVYCAPCVGED-PHIMTYICSA-N 0 3 183.295 2.062 10 0 AEAEHN Cc1ccc(CN(C)CCCF)o1 388620135 538435391 /nfs/dbraw/zinc/43/53/91/538435391.db2.gz GUTFCXMLOUWNDS-UHFFFAOYSA-N 0 3 185.242 2.379 10 0 AEAEHN CC(C)C(NCc1cocn1)C(C)C 389356906 538440871 /nfs/dbraw/zinc/44/08/71/538440871.db2.gz QSHVTFNCOQJAGX-UHFFFAOYSA-N 0 3 196.294 2.445 10 0 AEAEHN Cc1ccc(CC(C)C)c(CN)n1 669372428 538442325 /nfs/dbraw/zinc/44/23/25/538442325.db2.gz OYVQGIWTNZOMDE-UHFFFAOYSA-N 0 3 178.279 2.047 10 0 AEAEHN CCCCc1ccc(C)nc1CN 669372588 538442539 /nfs/dbraw/zinc/44/25/39/538442539.db2.gz SYAJPGCGBAAQFB-UHFFFAOYSA-N 0 3 178.279 2.191 10 0 AEAEHN CCNCc1nccc2c1CCCC2 669378774 538445092 /nfs/dbraw/zinc/44/50/92/538445092.db2.gz MTOLIHVXTXOBMI-UHFFFAOYSA-N 0 3 190.290 2.070 10 0 AEAEHN CCc1nc2ccccc2cc1CN 669378636 538445100 /nfs/dbraw/zinc/44/51/00/538445100.db2.gz KOXUWPPEWXTUPS-UHFFFAOYSA-N 0 3 186.258 2.256 10 0 AEAEHN COc1cc(C)nc(NC(C)C)c1 669381642 538446062 /nfs/dbraw/zinc/44/60/62/538446062.db2.gz QBCZYTONGLZYHM-UHFFFAOYSA-N 0 3 180.251 2.219 10 0 AEAEHN CCNCc1nc(CC)c(CC)s1 669383635 538446161 /nfs/dbraw/zinc/44/61/61/538446161.db2.gz WEKOWTZBNYFECZ-UHFFFAOYSA-N 0 3 198.335 2.377 10 0 AEAEHN CC(C)NCc1ccnn1C1CCC1 669385105 538446835 /nfs/dbraw/zinc/44/68/35/538446835.db2.gz YECCSHWNLHZOBB-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN Cc1cc(C2CCC2)cc(N)n1 669384814 538447055 /nfs/dbraw/zinc/44/70/55/538447055.db2.gz HLTCHSGFOTXNEQ-UHFFFAOYSA-N 0 3 162.236 2.240 10 0 AEAEHN CCCNCc1ccnn1C1CCC1 669384848 538447272 /nfs/dbraw/zinc/44/72/72/538447272.db2.gz JIOMQEYIUZWKQI-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN Cc1oc(C(C)(C)C)cc1CN 675053509 538447989 /nfs/dbraw/zinc/44/79/89/538447989.db2.gz HYQMQAZDFJPVOH-UHFFFAOYSA-N 0 3 167.252 2.344 10 0 AEAEHN CCCc1cc(CN)c(CC)o1 675053251 538448262 /nfs/dbraw/zinc/44/82/62/538448262.db2.gz HPAHCRWPMHPWJU-UHFFFAOYSA-N 0 3 167.252 2.253 10 0 AEAEHN Cc1oc(C(C)C)cc1CN 675052757 538448283 /nfs/dbraw/zinc/44/82/83/538448283.db2.gz DIROLBYVTCDYHX-UHFFFAOYSA-N 0 3 153.225 2.170 10 0 AEAEHN CCN[C@@H](C)c1ccc(OCC)o1 675056827 538449130 /nfs/dbraw/zinc/44/91/30/538449130.db2.gz PYZUIXBCYHKPAH-QMMMGPOBSA-N 0 3 183.251 2.349 10 0 AEAEHN CCOc1ccc([C@H](C)NC2CC2)o1 675056731 538449333 /nfs/dbraw/zinc/44/93/33/538449333.db2.gz OTSUHEIJCZLATA-QMMMGPOBSA-N 0 3 195.262 2.491 10 0 AEAEHN CCN[C@H](C)c1ccc(OCC)o1 675056826 538449412 /nfs/dbraw/zinc/44/94/12/538449412.db2.gz PYZUIXBCYHKPAH-MRVPVSSYSA-N 0 3 183.251 2.349 10 0 AEAEHN CCNCc1ccc(C(F)(F)F)o1 675062521 538449759 /nfs/dbraw/zinc/44/97/59/538449759.db2.gz HFFUHWGHANVLNU-UHFFFAOYSA-N 0 3 193.168 2.408 10 0 AEAEHN CCC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 144188187 541306496 /nfs/dbraw/zinc/30/64/96/541306496.db2.gz WJFAVWRNUHGOQJ-HBNTYKKESA-N 0 3 185.311 2.284 10 0 AEAEHN CCN(CC)CCc1nccs1 144448234 541306527 /nfs/dbraw/zinc/30/65/27/541306527.db2.gz CEOATBPQZOFPJM-UHFFFAOYSA-N 0 3 184.308 2.027 10 0 AEAEHN CCC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 144188603 541307191 /nfs/dbraw/zinc/30/71/91/541307191.db2.gz WJFAVWRNUHGOQJ-DCAQKATOSA-N 0 3 185.311 2.284 10 0 AEAEHN CCCCC[C@@H]1NCCc2nc[nH]c21 219393832 541317620 /nfs/dbraw/zinc/31/76/20/541317620.db2.gz UDYQFUQPEFIJJC-VIFPVBQESA-N 0 3 193.294 2.177 10 0 AEAEHN CCCCC[C@H]1NCCc2nc[nH]c21 219393746 541317890 /nfs/dbraw/zinc/31/78/90/541317890.db2.gz UDYQFUQPEFIJJC-SECBINFHSA-N 0 3 193.294 2.177 10 0 AEAEHN c1ccc([C@@H]2CNc3nccn3C2)cc1 232557216 541323096 /nfs/dbraw/zinc/32/30/96/541323096.db2.gz OJJRUHDWBYBHDD-LLVKDONJSA-N 0 3 199.257 2.092 10 0 AEAEHN c1ccc([C@H]2CNc3nccn3C2)cc1 232557279 541323871 /nfs/dbraw/zinc/32/38/71/541323871.db2.gz OJJRUHDWBYBHDD-NSHDSACASA-N 0 3 199.257 2.092 10 0 AEAEHN CCC[C@@H](C)[C@H]1NCCc2nc[nH]c21 306917540 541330113 /nfs/dbraw/zinc/33/01/13/541330113.db2.gz YEDXKLKPFMXJHI-PSASIEDQSA-N 0 3 193.294 2.033 10 0 AEAEHN CCC[C@H](C)[C@@H]1NCCc2nc[nH]c21 306917717 541330070 /nfs/dbraw/zinc/33/00/70/541330070.db2.gz YEDXKLKPFMXJHI-WPRPVWTQSA-N 0 3 193.294 2.033 10 0 AEAEHN CCC[C@@H](C)[C@@H]1NCCc2nc[nH]c21 306917541 541330091 /nfs/dbraw/zinc/33/00/91/541330091.db2.gz YEDXKLKPFMXJHI-SCZZXKLOSA-N 0 3 193.294 2.033 10 0 AEAEHN CCC[C@H](C)[C@H]1NCCc2nc[nH]c21 306917542 541330137 /nfs/dbraw/zinc/33/01/37/541330137.db2.gz YEDXKLKPFMXJHI-WCBMZHEXSA-N 0 3 193.294 2.033 10 0 AEAEHN C/C=C\CN[C@H](C)c1ccncc1 379286308 541336971 /nfs/dbraw/zinc/33/69/71/541336971.db2.gz KSJRLBSWVQEYDE-UMBAGQNISA-N 0 3 176.263 2.308 10 0 AEAEHN C[C@H](NCc1ccno1)[C@@H]1CC1(C)C 397578990 541344128 /nfs/dbraw/zinc/34/41/28/541344128.db2.gz GZOHMZACGZEVRW-WPRPVWTQSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@H](NCc1ccno1)[C@H]1CC1(C)C 397578989 541344188 /nfs/dbraw/zinc/34/41/88/541344188.db2.gz GZOHMZACGZEVRW-WCBMZHEXSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@@H](NCc1ccno1)[C@@H]1CC1(C)C 397578987 541344415 /nfs/dbraw/zinc/34/44/15/541344415.db2.gz GZOHMZACGZEVRW-SCZZXKLOSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@@H](NCc1ccno1)[C@H]1CC1(C)C 397578985 541344441 /nfs/dbraw/zinc/34/44/41/541344441.db2.gz GZOHMZACGZEVRW-PSASIEDQSA-N 0 3 194.278 2.199 10 0 AEAEHN COc1cc(C)nc(NCC(C)C)c1 669381215 541348457 /nfs/dbraw/zinc/34/84/57/541348457.db2.gz BSIJVIMNQMHMTD-UHFFFAOYSA-N 0 3 194.278 2.467 10 0 AEAEHN CCCNc1cc(OC)cc(C)n1 669381303 541348496 /nfs/dbraw/zinc/34/84/96/541348496.db2.gz FQISPEVMEATLTI-UHFFFAOYSA-N 0 3 180.251 2.221 10 0 AEAEHN COc1cc(C)nc(NC2CCC2)c1 669381372 541349028 /nfs/dbraw/zinc/34/90/28/541349028.db2.gz HIEHRASJVOJTAT-UHFFFAOYSA-N 0 3 192.262 2.363 10 0 AEAEHN CN(C)Cc1cc2ccccc2n1C 165286714 757014104 /nfs/dbraw/zinc/01/41/04/757014104.db2.gz HEBXJVBIGXXXEU-UHFFFAOYSA-N 0 3 188.274 2.240 10 0 AEAEHN CCNCc1cc(C)cnc1Cl 200571663 757029406 /nfs/dbraw/zinc/02/94/06/757029406.db2.gz PQGAFLDZJVTIGB-UHFFFAOYSA-N 0 3 184.670 2.153 10 0 AEAEHN c1coc(CN2CCC[C@@H]3C[C@@H]32)c1 306300684 757060865 /nfs/dbraw/zinc/06/08/65/757060865.db2.gz LTOLOQTUZXQZCF-KOLCDFICSA-N 0 3 177.247 2.264 10 0 AEAEHN CCc1cccc(CN2CCC2)c1 306418940 757063328 /nfs/dbraw/zinc/06/33/28/757063328.db2.gz WACPQASWMPIYMY-UHFFFAOYSA-N 0 3 175.275 2.455 10 0 AEAEHN c1cc(CN2CCC[C@@H]3C[C@@H]32)co1 306423261 757063410 /nfs/dbraw/zinc/06/34/10/757063410.db2.gz BDXZLBVAABSOCS-MNOVXSKESA-N 0 3 177.247 2.264 10 0 AEAEHN c1cc(CN2CCC[C@H]3C[C@H]32)co1 306423265 757063818 /nfs/dbraw/zinc/06/38/18/757063818.db2.gz BDXZLBVAABSOCS-WDEREUQCSA-N 0 3 177.247 2.264 10 0 AEAEHN CN(Cc1ccoc1)C1CCC1 306481520 757066298 /nfs/dbraw/zinc/06/62/98/757066298.db2.gz LITJFCWNRRZVJF-UHFFFAOYSA-N 0 3 165.236 2.264 10 0 AEAEHN CCCc1cc(NC(=N)CC)n[nH]1 39147967 571903577 /nfs/dbraw/zinc/90/35/77/571903577.db2.gz AMZDEMBXJXJZFM-UHFFFAOYSA-N 0 3 180.255 2.161 10 0 AEAEHN CN(C)Cc1cnc2ccccc2c1 306837694 757079174 /nfs/dbraw/zinc/07/91/74/757079174.db2.gz WHUJCPYFEZLJFD-UHFFFAOYSA-N 0 3 186.258 2.296 10 0 AEAEHN C/C=C/COCc1cc(CNC)co1 52594784 571687135 /nfs/dbraw/zinc/68/71/35/571687135.db2.gz MRTUBUXSVPWUTD-ONEGZZNKSA-N 0 3 195.262 2.092 10 0 AEAEHN CCC[C@H](NC)c1cc(C)ccn1 70558297 571688288 /nfs/dbraw/zinc/68/82/88/571688288.db2.gz FOQYBMZHUZUWOZ-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CCC[C@@H](COC)Nc1ccncc1 70626108 571704940 /nfs/dbraw/zinc/70/49/40/571704940.db2.gz RZKIBLXTYFUADW-NSHDSACASA-N 0 3 194.278 2.309 10 0 AEAEHN CCC[C@H](COC)Nc1ccncc1 70626109 571704949 /nfs/dbraw/zinc/70/49/49/571704949.db2.gz RZKIBLXTYFUADW-LLVKDONJSA-N 0 3 194.278 2.309 10 0 AEAEHN CN[C@H](C)c1cc(CF)ccc1OC 214042129 571707120 /nfs/dbraw/zinc/70/71/20/571707120.db2.gz AENYIFZRDXPDQY-MRVPVSSYSA-N 0 3 197.253 2.445 10 0 AEAEHN CC[C@H](C)[C@H](N)c1nc(C)cs1 41059809 571971593 /nfs/dbraw/zinc/97/15/93/571971593.db2.gz UZRCHFPRRDKMTR-XPUUQOCRSA-N 0 3 184.308 2.497 10 0 AEAEHN CCN(C)C[C@H](C)C(F)(F)F 307608172 757095124 /nfs/dbraw/zinc/09/51/24/757095124.db2.gz CWVFLLGAAJJIHK-LURJTMIESA-N 0 3 169.190 2.137 10 0 AEAEHN CCN(C)C[C@@H](C)C(F)(F)F 307608173 757095600 /nfs/dbraw/zinc/09/56/00/757095600.db2.gz CWVFLLGAAJJIHK-ZCFIWIBFSA-N 0 3 169.190 2.137 10 0 AEAEHN CC[C@H](C)N(CC)[C@H](C)C(C)=O 252426767 571833459 /nfs/dbraw/zinc/83/34/59/571833459.db2.gz WCLIXXLYRUTQHF-DTWKUNHWSA-N 0 3 171.284 2.084 10 0 AEAEHN CCC(CC)N(C)Cc1c[nH]cn1 308499750 757110677 /nfs/dbraw/zinc/11/06/77/757110677.db2.gz VYZGKZSUFZHSFX-UHFFFAOYSA-N 0 3 181.283 2.030 10 0 AEAEHN Cc1c[nH]c(NC[C@@H](C)C2CC2)n1 235485800 571919342 /nfs/dbraw/zinc/91/93/42/571919342.db2.gz OKPCSBFXSYSBQA-SSDOTTSWSA-N 0 3 179.267 2.176 10 0 AEAEHN CCC(=O)CN(C)C(C)(C)CC 69000167 572019296 /nfs/dbraw/zinc/01/92/96/572019296.db2.gz CQMJBNKEKHCVFR-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN Cc1ccc([C@@H]2CN[C@H](C)CO2)cc1 32008397 571963255 /nfs/dbraw/zinc/96/32/55/571963255.db2.gz GENUOEUMABKZCN-PWSUYJOCSA-N 0 3 191.274 2.044 10 0 AEAEHN CCCCn1ncc([C@@H](C)NC)c1C 40932979 571965678 /nfs/dbraw/zinc/96/56/78/571965678.db2.gz GJKIVVKYOJJKDS-SECBINFHSA-N 0 3 195.310 2.272 10 0 AEAEHN CC[C@@](N)(c1nccs1)C(C)C 41059947 571970740 /nfs/dbraw/zinc/97/07/40/571970740.db2.gz WZALNJAKHRELQF-VIFPVBQESA-N 0 3 184.308 2.363 10 0 AEAEHN Cc1n[nH]c(CN)c1C1CCCCC1 219403621 571971651 /nfs/dbraw/zinc/97/16/51/571971651.db2.gz DVYBSJIZPJHXDR-UHFFFAOYSA-N 0 3 193.294 2.225 10 0 AEAEHN CC[C@](N)(c1nccs1)C(C)C 41059948 571971657 /nfs/dbraw/zinc/97/16/57/571971657.db2.gz WZALNJAKHRELQF-SECBINFHSA-N 0 3 184.308 2.363 10 0 AEAEHN C1=C(CNCc2ccoc2)CCC1 401152104 757147567 /nfs/dbraw/zinc/14/75/67/757147567.db2.gz FBDXNGQIQINKTK-UHFFFAOYSA-N 0 3 177.247 2.480 10 0 AEAEHN CC(C)C[C@@H](C)C[C@H]1CNCCC1=O 300837912 571981220 /nfs/dbraw/zinc/98/12/20/571981220.db2.gz CVNDFKSASIDOBA-MNOVXSKESA-N 0 3 197.322 2.237 10 0 AEAEHN CC[C@H](C)[C@@H](NC)c1cc(C)n(C)n1 300847582 571983942 /nfs/dbraw/zinc/98/39/42/571983942.db2.gz HLAFNGPEHNWUQJ-GZMMTYOYSA-N 0 3 195.310 2.035 10 0 AEAEHN NCc1c(C2CCC2)oc2c1CCC2 214657866 571985768 /nfs/dbraw/zinc/98/57/68/571985768.db2.gz KTCWAPQNVCNQMU-UHFFFAOYSA-N 0 3 191.274 2.495 10 0 AEAEHN Cc1c[nH]c(NCCCC2CC2)n1 235847880 572058822 /nfs/dbraw/zinc/05/88/22/572058822.db2.gz VCWAREZMGOUHLA-UHFFFAOYSA-N 0 3 179.267 2.320 10 0 AEAEHN CCN(CC)Cc1ccc(O)cc1F 404074279 757181400 /nfs/dbraw/zinc/18/14/00/757181400.db2.gz QFUUQZCTLRGIKV-UHFFFAOYSA-N 0 3 197.253 2.373 10 0 AEAEHN CCCN(C)Cc1ccc(O)cc1F 403998897 757181847 /nfs/dbraw/zinc/18/18/47/757181847.db2.gz HFALECYCNJSJJG-UHFFFAOYSA-N 0 3 197.253 2.373 10 0 AEAEHN CCCOC[C@H](N)c1ccccc1F 37025049 572079253 /nfs/dbraw/zinc/07/92/53/572079253.db2.gz DPRQEVWFXTXASI-NSHDSACASA-N 0 3 197.253 2.252 10 0 AEAEHN CCCN[C@@H](CC)c1cc(C)n(C)n1 300861167 571994244 /nfs/dbraw/zinc/99/42/44/571994244.db2.gz IVHOWHXELBOQKM-JTQLQIEISA-N 0 3 195.310 2.179 10 0 AEAEHN CCCN[C@H](CC)c1cc(C)n(C)n1 300861169 571994257 /nfs/dbraw/zinc/99/42/57/571994257.db2.gz IVHOWHXELBOQKM-SNVBAGLBSA-N 0 3 195.310 2.179 10 0 AEAEHN CC(C)N(C)Cc1ccc(O)cc1F 404094494 757183672 /nfs/dbraw/zinc/18/36/72/757183672.db2.gz XKBUUDREHXYLDH-UHFFFAOYSA-N 0 3 197.253 2.372 10 0 AEAEHN CCCN(C)[C@H](CN)c1ccsc1 37098030 572092315 /nfs/dbraw/zinc/09/23/15/572092315.db2.gz JHAUKONTDOWDNT-SNVBAGLBSA-N 0 3 198.335 2.090 10 0 AEAEHN CCN[C@H](c1cc(C)n(C)n1)C(C)C 300870006 571996627 /nfs/dbraw/zinc/99/66/27/571996627.db2.gz JVSHLCGNBHNSJI-NSHDSACASA-N 0 3 195.310 2.035 10 0 AEAEHN CCC(CC)COc1ccnc(N)c1 300868410 571996691 /nfs/dbraw/zinc/99/66/91/571996691.db2.gz PFBNTOQGQDAHMO-UHFFFAOYSA-N 0 3 194.278 2.479 10 0 AEAEHN CC(C)CN(C)CC(=O)C(C)(C)C 37335797 572111213 /nfs/dbraw/zinc/11/12/13/572111213.db2.gz VMZQHWAJBPWFGW-UHFFFAOYSA-N 0 3 185.311 2.189 10 0 AEAEHN CNCc1cn(CCC(C)(C)C)cn1 234390257 572005450 /nfs/dbraw/zinc/00/54/50/572005450.db2.gz ZXKRUNOCOLRNQZ-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN COc1cccnc1[C@@H](N)CC(C)C 234964244 572006412 /nfs/dbraw/zinc/00/64/12/572006412.db2.gz DJYYFFQGWWZLPL-VIFPVBQESA-N 0 3 194.278 2.136 10 0 AEAEHN CCCNCC(=O)CC(C)(C)CC 713189251 572008168 /nfs/dbraw/zinc/00/81/68/572008168.db2.gz NGPNTXNMGVRCCN-UHFFFAOYSA-N 0 3 185.311 2.381 10 0 AEAEHN CCCN[C@H](c1ccncn1)C(C)C 69639885 572128874 /nfs/dbraw/zinc/12/88/74/572128874.db2.gz HFFXXRIMQUFVSV-NSHDSACASA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@@H](CSC)c1ccco1 68980080 572010041 /nfs/dbraw/zinc/01/00/41/572010041.db2.gz WGJXMEMIXKIHLG-QMMMGPOBSA-N 0 3 185.292 2.293 10 0 AEAEHN CSC[C@H](C)CNCc1ccco1 68998967 572019956 /nfs/dbraw/zinc/01/99/56/572019956.db2.gz WGNGKYCVCMYSOS-SECBINFHSA-N 0 3 199.319 2.368 10 0 AEAEHN CCN(CC)Cc1ccc(F)cc1N 82864477 572157429 /nfs/dbraw/zinc/15/74/29/572157429.db2.gz HVGSOMFAJCFRPU-UHFFFAOYSA-N 0 3 196.269 2.250 10 0 AEAEHN CC[C@@H](C)CN1CCCC[C@@H]1C(C)=O 82645139 572080442 /nfs/dbraw/zinc/08/04/42/572080442.db2.gz WHVNUCCCBGASEY-ZYHUDNBSSA-N 0 3 197.322 2.476 10 0 AEAEHN COc1ccc(CC(C)C)cc1CN 82667960 572083471 /nfs/dbraw/zinc/08/34/71/572083471.db2.gz WJMFPUWBCDUHNO-UHFFFAOYSA-N 0 3 193.290 2.352 10 0 AEAEHN CCN(C(C)C)[C@@H](CN)c1ccco1 37081993 572085292 /nfs/dbraw/zinc/08/52/92/572085292.db2.gz RKBZZZNXVLFZSA-JTQLQIEISA-N 0 3 196.294 2.010 10 0 AEAEHN CCCN(CC)[C@@H](CN)c1ccco1 37094832 572086584 /nfs/dbraw/zinc/08/65/84/572086584.db2.gz BSHMGCHGZDKRJL-JTQLQIEISA-N 0 3 196.294 2.011 10 0 AEAEHN CCC(C)(C)Cn1ccc(CNC)n1 713211779 572087777 /nfs/dbraw/zinc/08/77/77/572087777.db2.gz NZFFCZPMAONWTE-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CC1=NCCc2c(C)cccc21 34497418 572088237 /nfs/dbraw/zinc/08/82/37/572088237.db2.gz GGNJMMDAYUHBLK-UHFFFAOYSA-N 0 3 159.232 2.360 10 0 AEAEHN CCCN(CC)[C@H](CN)c1ccco1 37094833 572088244 /nfs/dbraw/zinc/08/82/44/572088244.db2.gz BSHMGCHGZDKRJL-SNVBAGLBSA-N 0 3 196.294 2.011 10 0 AEAEHN CCC(=O)[C@@H](C)N(CC)CC1CC1 82947810 572181342 /nfs/dbraw/zinc/18/13/42/572181342.db2.gz DWASGFAAEUKJKS-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@@H](CNCc1cnoc1)C(C)(C)C 687709586 572092629 /nfs/dbraw/zinc/09/26/29/572092629.db2.gz LMKHBKIXDWCRSN-VIFPVBQESA-N 0 3 196.294 2.446 10 0 AEAEHN C[C@H](CNCc1cnoc1)C(C)(C)C 687709585 572092634 /nfs/dbraw/zinc/09/26/34/572092634.db2.gz LMKHBKIXDWCRSN-SECBINFHSA-N 0 3 196.294 2.446 10 0 AEAEHN CC[C@@H](C)N(C)[C@@H](CN)c1ccco1 37109900 572096243 /nfs/dbraw/zinc/09/62/43/572096243.db2.gz JIVWPXSBICNAAO-ZJUUUORDSA-N 0 3 196.294 2.010 10 0 AEAEHN CC[C@H](C)C[C@]1(CC)CNCCO1 83471091 572224918 /nfs/dbraw/zinc/22/49/18/572224918.db2.gz PVUIQVIUSAVWKV-WDEREUQCSA-N 0 3 185.311 2.191 10 0 AEAEHN C[C@@H](NC[C@H]1C=CCC1)c1cc[nH]n1 711778271 572120871 /nfs/dbraw/zinc/12/08/71/572120871.db2.gz PPXXSVVDCHDALW-ZJUUUORDSA-N 0 3 191.278 2.027 10 0 AEAEHN CCN[C@H](c1ccncn1)C(C)(C)C 69639752 572129024 /nfs/dbraw/zinc/12/90/24/572129024.db2.gz MOMVBTDUYDMANA-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN CCC[C@@H]1C[C@@H]1n1cncc1[C@H](C)N 300363194 572139866 /nfs/dbraw/zinc/13/98/66/572139866.db2.gz GRCMIBYXNOYHST-AEJSXWLSSA-N 0 3 193.294 2.264 10 0 AEAEHN CCC(CC)[C@H](O)c1cnccc1N 69843586 572149977 /nfs/dbraw/zinc/14/99/77/572149977.db2.gz BBFGOFZJJCROOB-NSHDSACASA-N 0 3 194.278 2.133 10 0 AEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cc[nH]n1 300388987 572154258 /nfs/dbraw/zinc/15/42/58/572154258.db2.gz ROFGLNPHZYKHSP-KKZNHRDASA-N 0 3 193.294 2.249 10 0 AEAEHN CCN[C@H](CCCOC)c1ccoc1 69946937 572164211 /nfs/dbraw/zinc/16/42/11/572164211.db2.gz QKNRUPVULFHZPW-LLVKDONJSA-N 0 3 197.278 2.357 10 0 AEAEHN CC(C)(C)CCC[C@H]1CNCCC1=O 300959753 572166286 /nfs/dbraw/zinc/16/62/86/572166286.db2.gz YHFIUCNPGFVHSS-JTQLQIEISA-N 0 3 197.322 2.381 10 0 AEAEHN CC[C@@H](CC1CC1)NCc1cnoc1 69672955 572192440 /nfs/dbraw/zinc/19/24/40/572192440.db2.gz UKIZCDSOLGVJCZ-NSHDSACASA-N 0 3 194.278 2.343 10 0 AEAEHN Cc1nc(C)c(-c2ccc(N)cc2)[nH]1 36155398 572195273 /nfs/dbraw/zinc/19/52/73/572195273.db2.gz VNJMUYQPVNZIGN-UHFFFAOYSA-N 0 3 187.246 2.276 10 0 AEAEHN CCc1oc2c(c1[C@@H](C)N)CCC2 77089695 572728494 /nfs/dbraw/zinc/72/84/94/572728494.db2.gz ZBNVZTDAJPZGFX-SSDOTTSWSA-N 0 3 179.263 2.350 10 0 AEAEHN Cc1oc(C(F)(F)F)c(CN)c1C 77089149 572728510 /nfs/dbraw/zinc/72/85/10/572728510.db2.gz WUNSVVHNVOKGJZ-UHFFFAOYSA-N 0 3 193.168 2.374 10 0 AEAEHN N[C@]12CCCC[C@@H]1Oc1ccccc12 78219897 572197726 /nfs/dbraw/zinc/19/77/26/572197726.db2.gz ACCMPBNJEXGKNI-RYUDHWBXSA-N 0 3 189.258 2.176 10 0 AEAEHN N[C@]12CCCC[C@H]1Oc1ccccc12 78219899 572199021 /nfs/dbraw/zinc/19/90/21/572199021.db2.gz ACCMPBNJEXGKNI-NEPJUHHUSA-N 0 3 189.258 2.176 10 0 AEAEHN Cc1ccc([C@@H](N)[C@@H]2CCCO2)s1 19969819 572207315 /nfs/dbraw/zinc/20/73/15/572207315.db2.gz XIDCLGPEPLWFSD-WPRPVWTQSA-N 0 3 197.303 2.235 10 0 AEAEHN CNCc1ccc(-c2ccncc2)o1 234411527 572209986 /nfs/dbraw/zinc/20/99/86/572209986.db2.gz CZIRSDYJHVRJQX-UHFFFAOYSA-N 0 3 188.230 2.061 10 0 AEAEHN CC(C)SCc1nc([C@H](C)N)c[nH]1 308181513 572903608 /nfs/dbraw/zinc/90/36/08/572903608.db2.gz HNHSIZKUFLNJCE-ZETCQYMHSA-N 0 3 199.323 2.071 10 0 AEAEHN CCO[C@@H]1CCc2ccccc2[C@H]1N 20262432 572213987 /nfs/dbraw/zinc/21/39/87/572213987.db2.gz NTHHGYAYJKVMLJ-VXGBXAGGSA-N 0 3 191.274 2.038 10 0 AEAEHN N[C@H](CC[C@@H]1CCCO1)c1ccoc1 83529833 572231846 /nfs/dbraw/zinc/23/18/46/572231846.db2.gz BMNVXOPSTKXNGH-WDEREUQCSA-N 0 3 195.262 2.239 10 0 AEAEHN C[C@H](NCC1CCCC1)c1cc[nH]n1 37907091 572236681 /nfs/dbraw/zinc/23/66/81/572236681.db2.gz XCFUMCPRMANMAA-VIFPVBQESA-N 0 3 193.294 2.251 10 0 AEAEHN CC[C@H](C)Nc1ccncc1 21048777 572237525 /nfs/dbraw/zinc/23/75/25/572237525.db2.gz BPMMQVWLCNLQRL-QMMMGPOBSA-N 0 3 150.225 2.292 10 0 AEAEHN CCCCCN[C@H](C)c1cc[nH]n1 37906364 572237536 /nfs/dbraw/zinc/23/75/36/572237536.db2.gz ZCIMQZHODAHNPN-SECBINFHSA-N 0 3 181.283 2.251 10 0 AEAEHN CCCNCc1c[nH]c([C@H]2C[C@@H]2C)n1 83810697 572415311 /nfs/dbraw/zinc/41/53/11/572415311.db2.gz PASUOWOXJCISKV-WPRPVWTQSA-N 0 3 193.294 2.033 10 0 AEAEHN CC(C)NCc1c[nH]c([C@@H]2C[C@@H]2C)n1 83810703 572417140 /nfs/dbraw/zinc/41/71/40/572417140.db2.gz QNRRGLPLZHNNPN-WCBMZHEXSA-N 0 3 193.294 2.031 10 0 AEAEHN CC(C)NCc1c[nH]c([C@H]2C[C@H]2C)n1 83810700 572417178 /nfs/dbraw/zinc/41/71/78/572417178.db2.gz QNRRGLPLZHNNPN-SCZZXKLOSA-N 0 3 193.294 2.031 10 0 AEAEHN CNC1=N[C@@]2(CCC[C@H](C)C2)CS1 53098645 572417179 /nfs/dbraw/zinc/41/71/79/572417179.db2.gz QKPGYTNVNJQZBW-WCBMZHEXSA-N 0 3 198.335 2.258 10 0 AEAEHN CC(C)[C@H](N)c1ncc2sccn12 74243127 572460883 /nfs/dbraw/zinc/46/08/83/572460883.db2.gz XQQDBDKMIDBVBY-QMMMGPOBSA-N 0 3 195.291 2.052 10 0 AEAEHN Cc1nc([C@@H](N)CCC(C)C)cn1C 74243049 572460943 /nfs/dbraw/zinc/46/09/43/572460943.db2.gz IPXOQACGQUKUCJ-JTQLQIEISA-N 0 3 195.310 2.165 10 0 AEAEHN CC[C@H](N)c1nc2sccn2c1C 74243167 572460978 /nfs/dbraw/zinc/46/09/78/572460978.db2.gz QZRHKDRDJMYQPU-ZETCQYMHSA-N 0 3 195.291 2.114 10 0 AEAEHN CC(C)[C@@H](N)c1ncc2sccn12 74243129 572461002 /nfs/dbraw/zinc/46/10/02/572461002.db2.gz XQQDBDKMIDBVBY-MRVPVSSYSA-N 0 3 195.291 2.052 10 0 AEAEHN CCN[C@H](COC)c1ccc(C)s1 84008078 572483297 /nfs/dbraw/zinc/48/32/97/572483297.db2.gz RTWLNLVFEZTFGY-SECBINFHSA-N 0 3 199.319 2.354 10 0 AEAEHN CC(C)OC[C@H](N)c1cccs1 86524122 572953582 /nfs/dbraw/zinc/95/35/82/572953582.db2.gz BXNUAILTWYQSIN-QMMMGPOBSA-N 0 3 185.292 2.173 10 0 AEAEHN Cc1cccc(Nc2nccn2C)c1 235942873 572486612 /nfs/dbraw/zinc/48/66/12/572486612.db2.gz UDGWZNJBOCMCFN-UHFFFAOYSA-N 0 3 187.246 2.472 10 0 AEAEHN C1=C[C@@H](NCc2ccoc2)CC1 698268852 757455183 /nfs/dbraw/zinc/45/51/83/757455183.db2.gz ZQOCLEMVZPCZOB-SNVBAGLBSA-N 0 3 163.220 2.088 10 0 AEAEHN C1=C[C@H](NCc2ccoc2)CC1 698268851 757456294 /nfs/dbraw/zinc/45/62/94/757456294.db2.gz ZQOCLEMVZPCZOB-JTQLQIEISA-N 0 3 163.220 2.088 10 0 AEAEHN CCC(=O)c1ccc([C@H](N)CC)cn1 238277634 572507170 /nfs/dbraw/zinc/50/71/70/572507170.db2.gz ANRJQONLQBHMIX-SECBINFHSA-N 0 3 192.262 2.084 10 0 AEAEHN CN(CC(C)(C)C)[C@@H]1CCCC1=O 45084846 572507203 /nfs/dbraw/zinc/50/72/03/572507203.db2.gz HUOCSORMKPGPEI-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)(C)OCCNc1ccncc1 308496838 573083677 /nfs/dbraw/zinc/08/36/77/573083677.db2.gz DNMBDWAIJVINDM-UHFFFAOYSA-N 0 3 194.278 2.309 10 0 AEAEHN CCC[C@@H]1N[C@H](C)CC(C)(C)N1C 238278246 573100473 /nfs/dbraw/zinc/10/04/73/573100473.db2.gz IQDALTRLOGNDNZ-NXEZZACHSA-N 0 3 184.327 2.205 10 0 AEAEHN Nc1ccc(CN2CCCC2)cc1F 63011150 572523663 /nfs/dbraw/zinc/52/36/63/572523663.db2.gz QLYYPFATKJBWHC-UHFFFAOYSA-N 0 3 194.253 2.004 10 0 AEAEHN CC(C)[C@@H](N)c1nccc2occc12 74274180 572534274 /nfs/dbraw/zinc/53/42/74/572534274.db2.gz LDIKKOTXHQLBGO-SNVBAGLBSA-N 0 3 190.246 2.484 10 0 AEAEHN CCc1nc([C@H](C)CC)c(N)n1C 105025231 573236143 /nfs/dbraw/zinc/23/61/43/573236143.db2.gz BTXVPLUVICLPSH-SSDOTTSWSA-N 0 3 181.283 2.078 10 0 AEAEHN CCO[C@H](CN)c1ccc(CC)s1 85091297 572660446 /nfs/dbraw/zinc/66/04/46/572660446.db2.gz ZTUKQPWSVYCHDL-SECBINFHSA-N 0 3 199.319 2.347 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1ccc(O)cc1 257980715 573256222 /nfs/dbraw/zinc/25/62/22/573256222.db2.gz ZQQVXDLMEITFBU-OIBJUYFYSA-N 0 3 183.226 2.011 10 0 AEAEHN C[C@H]1CCC[C@](N)(C(F)F)[C@@H]1C 87688273 572676553 /nfs/dbraw/zinc/67/65/53/572676553.db2.gz CSWRSZQDBQWYGO-LKEWCRSYSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H](F)CCSCCN(C)C 307865714 572679001 /nfs/dbraw/zinc/67/90/01/572679001.db2.gz JDVVXUCSMXXXEB-QMMMGPOBSA-N 0 3 179.304 2.029 10 0 AEAEHN C[C@H]1CCC[C@@H](C)C1(N)C(F)F 87687975 572679066 /nfs/dbraw/zinc/67/90/66/572679066.db2.gz QPCQWWTVBZNPNU-AVSFMBPQSA-N 0 3 177.238 2.405 10 0 AEAEHN CC(C)NCc1cncn1C(C)(C)C 85199997 572706466 /nfs/dbraw/zinc/70/64/66/572706466.db2.gz ACXOJJWGVVFQHC-UHFFFAOYSA-N 0 3 195.310 2.136 10 0 AEAEHN CCCC[C@@H](C)n1cncc1CNC 85198603 572706522 /nfs/dbraw/zinc/70/65/22/572706522.db2.gz LASZAWPUQBAPCG-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CCC(CC)[C@H](C)n1cncc1CN 85199301 572706633 /nfs/dbraw/zinc/70/66/33/572706633.db2.gz LHJQWNBTVAKDAJ-VIFPVBQESA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@@H](CC1CC1)n1cncc1CN 85199375 572706655 /nfs/dbraw/zinc/70/66/55/572706655.db2.gz ORPGEFRDGWLEQW-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CCOCc1cc(CN)sc1C 87794566 572720693 /nfs/dbraw/zinc/72/06/93/572720693.db2.gz XENNNFNZXISGND-UHFFFAOYSA-N 0 3 185.292 2.052 10 0 AEAEHN Cc1c(CN)[nH]c2cc(F)ccc12 83963945 573713252 /nfs/dbraw/zinc/71/32/52/573713252.db2.gz HMJIEXLIRAYELX-UHFFFAOYSA-N 0 3 178.210 2.074 10 0 AEAEHN CC[C@H](C)Cn1cc([C@@H](C)NC)cn1 54720914 572720924 /nfs/dbraw/zinc/72/09/24/572720924.db2.gz AEVXTPDYOZOGDS-VHSXEESVSA-N 0 3 195.310 2.210 10 0 AEAEHN Cc1ccc([C@@](C)(F)CN)cc1C 108294097 573741444 /nfs/dbraw/zinc/74/14/44/573741444.db2.gz ACLKEQSFNWOWFR-NSHDSACASA-N 0 3 181.254 2.447 10 0 AEAEHN N[C@@H](CCCCF)c1ccoc1 308108524 572735953 /nfs/dbraw/zinc/73/59/53/572735953.db2.gz IYLYZVMZBPJITP-VIFPVBQESA-N 0 3 171.215 2.419 10 0 AEAEHN CC(C)N(C)c1nc([C@H](C)N)cs1 70844556 572748264 /nfs/dbraw/zinc/74/82/64/572748264.db2.gz IMZZMMQEKKSNMQ-ZETCQYMHSA-N 0 3 199.323 2.007 10 0 AEAEHN C/C=C\CCNCc1ccoc1 307935955 572793999 /nfs/dbraw/zinc/79/39/99/572793999.db2.gz TUECWJURSHXLPK-IHWYPQMZSA-N 0 3 165.236 2.335 10 0 AEAEHN CCC(CC)(C(=O)CC1CC1)N(C)C 85750341 572794030 /nfs/dbraw/zinc/79/40/30/572794030.db2.gz YRENLIYPJASVFX-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](C)CC(=O)C1(NC)CCC1 308133353 572811308 /nfs/dbraw/zinc/81/13/08/572811308.db2.gz LPMFMTKVGGWNLL-SECBINFHSA-N 0 3 183.295 2.134 10 0 AEAEHN CCOc1ccc2c(c1)C(=O)C(C)O2 49851004 572820412 /nfs/dbraw/zinc/82/04/12/572820412.db2.gz IVPYVSICHBUPEY-SSDOTTSWSA-N 0 3 192.214 2.049 10 0 AEAEHN CC(C)(C)N1CCC(=O)CC1(C)C 259285755 574031521 /nfs/dbraw/zinc/03/15/21/574031521.db2.gz GUCXXEFSBKJMIC-UHFFFAOYSA-N 0 3 183.295 2.228 10 0 AEAEHN C[C@@H]1CSC[C@H](c2ccccc2)N1 85310687 574031563 /nfs/dbraw/zinc/03/15/63/574031563.db2.gz XOJPUMXAGUCRNE-MWLCHTKSSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@@H]1NCCc2nc(C3CC3)sc21 75397542 572839685 /nfs/dbraw/zinc/83/96/85/572839685.db2.gz VQOTVRNXDMUXME-LURJTMIESA-N 0 3 194.303 2.227 10 0 AEAEHN CC(C)C[C@H](C)[C@H](N)c1ncc[nH]1 308187944 572914043 /nfs/dbraw/zinc/91/40/43/572914043.db2.gz LHXVYSFFMDYWLA-IUCAKERBSA-N 0 3 181.283 2.092 10 0 AEAEHN CC(C)C[C@H](C)[C@@H](N)c1ncc[nH]1 308187943 572914167 /nfs/dbraw/zinc/91/41/67/572914167.db2.gz LHXVYSFFMDYWLA-DTWKUNHWSA-N 0 3 181.283 2.092 10 0 AEAEHN CCCC[C@H](NCC)c1cncnc1 86315349 572915899 /nfs/dbraw/zinc/91/58/99/572915899.db2.gz FTHZNBPWVZGKBD-NSHDSACASA-N 0 3 193.294 2.317 10 0 AEAEHN CCN(CCCOC)Cc1ccco1 58198056 572943807 /nfs/dbraw/zinc/94/38/07/572943807.db2.gz DDYRVJHTNICNQB-UHFFFAOYSA-N 0 3 197.278 2.138 10 0 AEAEHN C/C=C/CN1CCCC[C@@H]1CC(C)=O 86499205 572946280 /nfs/dbraw/zinc/94/62/80/572946280.db2.gz IVQGLGHMZLKOOR-AAOUONPWSA-N 0 3 195.306 2.396 10 0 AEAEHN CCCNc1cc(N)nc(C(C)C)n1 87908909 572996174 /nfs/dbraw/zinc/99/61/74/572996174.db2.gz SEYYCFOYWXWTGQ-UHFFFAOYSA-N 0 3 194.282 2.004 10 0 AEAEHN C[C@@H](N)[C@H](F)Cc1ccc(F)cc1 257916710 572996097 /nfs/dbraw/zinc/99/60/97/572996097.db2.gz QXVSIGONAIHEAJ-GMSGAONNSA-N 0 3 185.217 2.054 10 0 AEAEHN Cc1ccc(C[C@@H](F)[C@H](C)N)cc1 257923688 572998659 /nfs/dbraw/zinc/99/86/59/572998659.db2.gz RVIXRMOYFCXQIV-GXSJLCMTSA-N 0 3 181.254 2.223 10 0 AEAEHN CSc1c([O-])cccc1[C@@H](C)[NH3+] 258211961 573001290 /nfs/dbraw/zinc/00/12/90/573001290.db2.gz ZNLUKSMHTRWNOU-ZCFIWIBFSA-N 0 3 183.276 2.134 10 0 AEAEHN Cc1cccc([C@@H](F)C2(N)CC2)c1 257918332 573001294 /nfs/dbraw/zinc/00/12/94/573001294.db2.gz RCOKPOBGPATSMM-SNVBAGLBSA-N 0 3 179.238 2.497 10 0 AEAEHN CCN[C@@H](C)c1cnccc1OCC 308475147 573013099 /nfs/dbraw/zinc/01/30/99/573013099.db2.gz KFVXXAJIBHOFNQ-VIFPVBQESA-N 0 3 194.278 2.151 10 0 AEAEHN CCC(CC)N(C)Cc1cn[nH]c1 308483758 573020808 /nfs/dbraw/zinc/02/08/08/573020808.db2.gz OGCVPIAUEUJWMX-UHFFFAOYSA-N 0 3 181.283 2.030 10 0 AEAEHN CC1=C[C@@H](N)c2cc(C)ccc2N1C 113685111 573026121 /nfs/dbraw/zinc/02/61/21/573026121.db2.gz DZJLNAUAEULBSN-LLVKDONJSA-N 0 3 188.274 2.348 10 0 AEAEHN C[C@H](CCc1ccco1)N1CCC1 308228697 573026200 /nfs/dbraw/zinc/02/62/00/573026200.db2.gz FUUJWTDLEDYZAM-SNVBAGLBSA-N 0 3 179.263 2.306 10 0 AEAEHN CCCc1ncc2cccc(C=O)n12 257931226 573032462 /nfs/dbraw/zinc/03/24/62/573032462.db2.gz JCYINRKFQTYVJJ-UHFFFAOYSA-N 0 3 188.230 2.099 10 0 AEAEHN Cc1ccncc1-c1cnccc1N 85442319 573032468 /nfs/dbraw/zinc/03/24/68/573032468.db2.gz HOPANOFXHYZSKZ-UHFFFAOYSA-N 0 3 185.230 2.034 10 0 AEAEHN CC1(C)NC(C)(C)c2cc(O)ccc21 238250316 573039260 /nfs/dbraw/zinc/03/92/60/573039260.db2.gz LPNIHIAWFOOPMI-UHFFFAOYSA-N 0 3 191.274 2.466 10 0 AEAEHN Cc1cc(C)c2[nH]c(CN)cc2c1 82452096 573042302 /nfs/dbraw/zinc/04/23/02/573042302.db2.gz YELQCQMWQPBVET-UHFFFAOYSA-N 0 3 174.247 2.243 10 0 AEAEHN CCCN[C@H](COC)c1cccs1 49684604 573042330 /nfs/dbraw/zinc/04/23/30/573042330.db2.gz MJCAZVTYJYMWJC-SECBINFHSA-N 0 3 199.319 2.435 10 0 AEAEHN CN[C@H](C)[C@H](F)c1ccccc1O 257935920 573050008 /nfs/dbraw/zinc/05/00/08/573050008.db2.gz UFWYLJIOQNMOSU-XCBNKYQSSA-N 0 3 183.226 2.011 10 0 AEAEHN NC1(c2cnc3ccsc3c2)CC1 88040878 573050245 /nfs/dbraw/zinc/05/02/45/573050245.db2.gz PJQHVXYIUNCTTG-UHFFFAOYSA-N 0 3 190.271 2.244 10 0 AEAEHN C[C@@H](NC1(C)CC1)c1ccns1 1119631805 757797126 /nfs/dbraw/zinc/79/71/26/757797126.db2.gz FUHLHYRBMWGFAL-SSDOTTSWSA-N 0 3 182.292 2.346 10 0 AEAEHN C[C@H](NC1(C)CC1)c1ccns1 1119631806 757800058 /nfs/dbraw/zinc/80/00/58/757800058.db2.gz FUHLHYRBMWGFAL-ZETCQYMHSA-N 0 3 182.292 2.346 10 0 AEAEHN CCNC1=NC(C)(C)C[C@H](C)S1 238267560 573070589 /nfs/dbraw/zinc/07/05/89/573070589.db2.gz GYGIRXZPVKUQKI-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN CCCCCC[C@@H](O)CN1CCC1 308491417 573076694 /nfs/dbraw/zinc/07/66/94/573076694.db2.gz RHPWOOLCKPRPQN-LLVKDONJSA-N 0 3 185.311 2.023 10 0 AEAEHN NCc1cccn1Cc1ccsc1 85581945 573080042 /nfs/dbraw/zinc/08/00/42/573080042.db2.gz BRCBZPFXCXLRKM-UHFFFAOYSA-N 0 3 192.287 2.057 10 0 AEAEHN CC[C@H]1NC[C@@H](C)N1c1ccccc1 238272010 573083899 /nfs/dbraw/zinc/08/38/99/573083899.db2.gz JGRUGOFIESNUSO-PWSUYJOCSA-N 0 3 190.290 2.221 10 0 AEAEHN Cc1c(CNC2CC2)ccnc1Cl 114484770 573083983 /nfs/dbraw/zinc/08/39/83/573083983.db2.gz VKXUEWXFAIBNTC-UHFFFAOYSA-N 0 3 196.681 2.295 10 0 AEAEHN CCc1ccc([C@@H]2CCNC[C@H]2F)o1 238280170 573106054 /nfs/dbraw/zinc/10/60/54/573106054.db2.gz INHULRVGVUWCEF-NXEZZACHSA-N 0 3 197.253 2.257 10 0 AEAEHN CCCCCN(C)Cc1cncnc1 1137663890 757882322 /nfs/dbraw/zinc/88/23/22/757882322.db2.gz RLKXQOTVWQAKIM-UHFFFAOYSA-N 0 3 193.294 2.099 10 0 AEAEHN C[C@@H](F)CCN(C)Cc1ccco1 308262657 573106868 /nfs/dbraw/zinc/10/68/68/573106868.db2.gz ODMZENPCWCMRMN-SECBINFHSA-N 0 3 185.242 2.460 10 0 AEAEHN CC[C@@H](N)c1ccsc1OC 238285024 573109517 /nfs/dbraw/zinc/10/95/17/573109517.db2.gz PEBQFAXKWIJLLD-SSDOTTSWSA-N 0 3 171.265 2.167 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccc(C)c(F)c1 223898192 573112424 /nfs/dbraw/zinc/11/24/24/573112424.db2.gz LLSGKDUHHKMICA-GZMMTYOYSA-N 0 3 197.253 2.169 10 0 AEAEHN CC(C)N(C)Cc1ccnc(F)c1 1139831173 757889362 /nfs/dbraw/zinc/88/93/62/757889362.db2.gz YHEHLSNTCHFPLV-UHFFFAOYSA-N 0 3 182.242 2.061 10 0 AEAEHN CCN(C)Cc1ccc(COC)s1 1139823938 757889767 /nfs/dbraw/zinc/88/97/67/757889767.db2.gz JTNGBPPDPXUAFL-UHFFFAOYSA-N 0 3 199.319 2.346 10 0 AEAEHN C[C@@H]1CCCN1Cc1ccnc(F)c1 1139830657 757889965 /nfs/dbraw/zinc/88/99/65/757889965.db2.gz IAQKFERHBJVWCX-SECBINFHSA-N 0 3 194.253 2.205 10 0 AEAEHN C[C@H]1CCCN1Cc1ccnc(F)c1 1139830658 757890825 /nfs/dbraw/zinc/89/08/25/757890825.db2.gz IAQKFERHBJVWCX-VIFPVBQESA-N 0 3 194.253 2.205 10 0 AEAEHN CCN[C@@H](C[C@@H](C)OC)c1ccco1 128712848 573112601 /nfs/dbraw/zinc/11/26/01/573112601.db2.gz BWPXAALSTMYUSX-ZJUUUORDSA-N 0 3 197.278 2.355 10 0 AEAEHN CC[C@@H](N)c1cocc1Cl 238286518 573113668 /nfs/dbraw/zinc/11/36/68/573113668.db2.gz BOVIDBOZRJHMPO-SSDOTTSWSA-N 0 3 159.616 2.343 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccc(C)c(F)c1 223898249 573113708 /nfs/dbraw/zinc/11/37/08/573113708.db2.gz LLSGKDUHHKMICA-LDYMZIIASA-N 0 3 197.253 2.169 10 0 AEAEHN C[C@@H](N)c1nccc2sccc12 74305819 573128359 /nfs/dbraw/zinc/12/83/59/573128359.db2.gz HPVHOKSTSRTLBN-ZCFIWIBFSA-N 0 3 178.260 2.316 10 0 AEAEHN CCc1ccc2c(c1)OCC[C@@H]2N 104659660 573139358 /nfs/dbraw/zinc/13/93/58/573139358.db2.gz OQIMJMGOWPSJSL-JTQLQIEISA-N 0 3 177.247 2.031 10 0 AEAEHN CC(C)[C@H](N)c1ccc2[nH]ccc2n1 89220940 573146691 /nfs/dbraw/zinc/14/66/91/573146691.db2.gz SCKFFQUERAPCMT-NSHDSACASA-N 0 3 189.262 2.219 10 0 AEAEHN CC(C)(C)C[C@H](N)C(=O)C(C)(C)C 225299413 573146803 /nfs/dbraw/zinc/14/68/03/573146803.db2.gz BWEIPIHLNDGAHU-QMMMGPOBSA-N 0 3 185.311 2.365 10 0 AEAEHN CCC[C@H](N)c1nccc2[nH]ccc12 89220562 573146883 /nfs/dbraw/zinc/14/68/83/573146883.db2.gz VXTSATDLSSBMKL-VIFPVBQESA-N 0 3 189.262 2.363 10 0 AEAEHN Cc1cc(F)cc2cc(CN)[nH]c12 82651049 573148349 /nfs/dbraw/zinc/14/83/49/573148349.db2.gz JAJUGWGWFLQXLS-UHFFFAOYSA-N 0 3 178.210 2.074 10 0 AEAEHN CCn1ccc(CN(C)C2CC2)c1 308284247 573152647 /nfs/dbraw/zinc/15/26/47/573152647.db2.gz ZPVJRDXWCITKDX-UHFFFAOYSA-N 0 3 178.279 2.102 10 0 AEAEHN Cc1ccc2c(c1Cl)OC[C@@H]2N 104674608 573163859 /nfs/dbraw/zinc/16/38/59/573163859.db2.gz FJZNSZJWLLLCMB-ZETCQYMHSA-N 0 3 183.638 2.041 10 0 AEAEHN CCc1[nH]c2ccncc2c1C 238296766 573163904 /nfs/dbraw/zinc/16/39/04/573163904.db2.gz KGNOZMGVWHASHQ-UHFFFAOYSA-N 0 3 160.220 2.434 10 0 AEAEHN C[C@H](N)c1cc2cc(N)ccc2o1 104673276 573166378 /nfs/dbraw/zinc/16/63/78/573166378.db2.gz NUILJNRNKOYBLN-LURJTMIESA-N 0 3 176.219 2.035 10 0 AEAEHN CO[C@@H](N)c1cccc2ccccc12 259352448 573166409 /nfs/dbraw/zinc/16/64/09/573166409.db2.gz JVHBHNCTVMGDMH-GFCCVEGCSA-N 0 3 187.242 2.444 10 0 AEAEHN CCc1ccn2c(N)cnc2c1CC 238298328 573166430 /nfs/dbraw/zinc/16/64/30/573166430.db2.gz IUCHWJCOMIIXNL-UHFFFAOYSA-N 0 3 189.262 2.041 10 0 AEAEHN CC[C@@H]1Oc2ccc(C)cc2[C@@H]1NC 82759654 573177377 /nfs/dbraw/zinc/17/73/77/573177377.db2.gz UMORTDUPUBCYFJ-JQWIXIFHSA-N 0 3 191.274 2.427 10 0 AEAEHN CC(C)[C@@H](C)CNCc1ccno1 308296574 573186650 /nfs/dbraw/zinc/18/66/50/573186650.db2.gz WAIMCCMTJZKGCE-VIFPVBQESA-N 0 3 182.267 2.056 10 0 AEAEHN CC(C)S[C@@H]1CCCCN1 259363838 573186732 /nfs/dbraw/zinc/18/67/32/573186732.db2.gz ZVFNDOMOPRSGCW-MRVPVSSYSA-N 0 3 159.298 2.228 10 0 AEAEHN Nc1c(F)cccc1[C@H](N)CC1CC1 104682285 573186757 /nfs/dbraw/zinc/18/67/57/573186757.db2.gz IFKULMICWYFBNR-SNVBAGLBSA-N 0 3 194.253 2.208 10 0 AEAEHN CC(C)S[C@H]1CCCCN1 259363840 573186808 /nfs/dbraw/zinc/18/68/08/573186808.db2.gz ZVFNDOMOPRSGCW-QMMMGPOBSA-N 0 3 159.298 2.228 10 0 AEAEHN CC(C)[C@H](C)CNCc1ccno1 308296570 573187062 /nfs/dbraw/zinc/18/70/62/573187062.db2.gz WAIMCCMTJZKGCE-SECBINFHSA-N 0 3 182.267 2.056 10 0 AEAEHN Nc1c(F)cccc1[C@H]1CCCCN1 104682295 573187086 /nfs/dbraw/zinc/18/70/86/573187086.db2.gz ZKQKZBKNXXBYDL-SNVBAGLBSA-N 0 3 194.253 2.223 10 0 AEAEHN C[C@H](N)c1cc2cccnc2cc1F 115369357 573189007 /nfs/dbraw/zinc/18/90/07/573189007.db2.gz MLEIELNBRQFSIF-ZETCQYMHSA-N 0 3 190.221 2.394 10 0 AEAEHN CCc1cccc2c1[C@@H](N)CCO2 238306103 573189108 /nfs/dbraw/zinc/18/91/08/573189108.db2.gz KDPJYAUYAOJABG-VIFPVBQESA-N 0 3 177.247 2.031 10 0 AEAEHN CC1(C)Cc2sccc2[C@@H]1N 142189572 573189184 /nfs/dbraw/zinc/18/91/84/573189184.db2.gz WJRUEAXVHVUZCO-QMMMGPOBSA-N 0 3 167.277 2.330 10 0 AEAEHN CCC(C)(C)N[C@H](C)c1ncc[nH]1 308296857 573189363 /nfs/dbraw/zinc/18/93/63/573189363.db2.gz KJOFVLASGRRRCL-MRVPVSSYSA-N 0 3 181.283 2.249 10 0 AEAEHN COc1ccc(C)c2c1[C@H](C)NCC2 82785371 573189401 /nfs/dbraw/zinc/18/94/01/573189401.db2.gz WGDNPMIRRVLTHW-VIFPVBQESA-N 0 3 191.274 2.210 10 0 AEAEHN C[C@@H](F)Oc1cccc2c1CCNC2 257962853 573189455 /nfs/dbraw/zinc/18/94/55/573189455.db2.gz JJUJYESKVJPURG-QMMMGPOBSA-N 0 3 195.237 2.027 10 0 AEAEHN COc1cccc2c1[C@@H](C)N[C@@H](C)C2 82785422 573192607 /nfs/dbraw/zinc/19/26/07/573192607.db2.gz NRSNZRFMAQZZKP-DTWKUNHWSA-N 0 3 191.274 2.290 10 0 AEAEHN C[C@@H]1Cc2cccc3c2[C@@H](CCO3)N1 82785453 573192679 /nfs/dbraw/zinc/19/26/79/573192679.db2.gz IANWMWQOGMXMTK-PSASIEDQSA-N 0 3 189.258 2.044 10 0 AEAEHN CC(C)C[C@H](C)Oc1cnccc1N 308515469 573192727 /nfs/dbraw/zinc/19/27/27/573192727.db2.gz UXALZFPCKKODCP-VIFPVBQESA-N 0 3 194.278 2.477 10 0 AEAEHN N=C(N)c1cc2sccc2s1 142235582 573192898 /nfs/dbraw/zinc/19/28/98/573192898.db2.gz QTXJOQMACBHRHO-UHFFFAOYSA-N 0 3 182.273 2.247 10 0 AEAEHN C[C@@H]1CC(=O)CCN1C1(C)CCCC1 82785579 573194100 /nfs/dbraw/zinc/19/41/00/573194100.db2.gz QUOKIRFLRVTFRK-SNVBAGLBSA-N 0 3 195.306 2.373 10 0 AEAEHN CCO[C@@H]1c2ccccc2CN[C@H]1C 238300847 573194305 /nfs/dbraw/zinc/19/43/05/573194305.db2.gz HHOUZRYNHRLTCM-CABZTGNLSA-N 0 3 191.274 2.256 10 0 AEAEHN C[C@@H]1N[C@H](C)Cc2cccc(F)c21 82785455 573194316 /nfs/dbraw/zinc/19/43/16/573194316.db2.gz OJOHCKNZLIFJTH-SFYZADRCSA-N 0 3 179.238 2.421 10 0 AEAEHN C[C@H]1Cc2cccc3c2[C@H](CCO3)N1 82785452 573194324 /nfs/dbraw/zinc/19/43/24/573194324.db2.gz IANWMWQOGMXMTK-WPRPVWTQSA-N 0 3 189.258 2.044 10 0 AEAEHN C[C@@H]1Cc2cccc(F)c2[C@@H](C)N1 82785457 573194414 /nfs/dbraw/zinc/19/44/14/573194414.db2.gz OJOHCKNZLIFJTH-HTQZYQBOSA-N 0 3 179.238 2.421 10 0 AEAEHN CC[C@@H](C)CN[C@@H](C)c1ccon1 308304679 573199158 /nfs/dbraw/zinc/19/91/58/573199158.db2.gz NTXGTDXXNLMGIO-BDAKNGLRSA-N 0 3 182.267 2.371 10 0 AEAEHN Cc1cccc(N2CCCC2)c1CN 235923302 573202569 /nfs/dbraw/zinc/20/25/69/573202569.db2.gz YHNKXLUVAWTQCH-UHFFFAOYSA-N 0 3 190.290 2.054 10 0 AEAEHN Cc1ccc([C@H]2C[C@H](C)N2)o1 259036190 573202575 /nfs/dbraw/zinc/20/25/75/573202575.db2.gz BYTYWILDGJYIRV-POYBYMJQSA-N 0 3 151.209 2.011 10 0 AEAEHN CN[C@@H](COC)c1cccc(C)c1F 132082517 573204898 /nfs/dbraw/zinc/20/48/98/573204898.db2.gz SDSUGIKBPGBIMI-JTQLQIEISA-N 0 3 197.253 2.041 10 0 AEAEHN CCc1ccc([C@@H](COC)NC)s1 132076858 573205025 /nfs/dbraw/zinc/20/50/25/573205025.db2.gz AUJSCOZQRVENBR-SECBINFHSA-N 0 3 199.319 2.217 10 0 AEAEHN CN[C@H](COC)c1c(C)oc(C)c1C 132096888 573205216 /nfs/dbraw/zinc/20/52/16/573205216.db2.gz QJZKPNKOOJGGIU-SNVBAGLBSA-N 0 3 197.278 2.112 10 0 AEAEHN CN[C@H](COC)c1cccc(C)c1F 132082329 573208229 /nfs/dbraw/zinc/20/82/29/573208229.db2.gz SDSUGIKBPGBIMI-SNVBAGLBSA-N 0 3 197.253 2.041 10 0 AEAEHN C[C@H](C[NH3+])c1coc2cccc([O-])c12 257963869 573208308 /nfs/dbraw/zinc/20/83/08/573208308.db2.gz SXVBMQCDJPOGQK-SSDOTTSWSA-N 0 3 191.230 2.201 10 0 AEAEHN Cc1ccc(F)c([O-])c1CCCC[NH3+] 257964995 573208404 /nfs/dbraw/zinc/20/84/04/573208404.db2.gz CDXYSNANWFUURD-UHFFFAOYSA-N 0 3 197.253 2.121 10 0 AEAEHN CCC[C@H](C)n1ccnc1NC 233343634 573218096 /nfs/dbraw/zinc/21/80/96/573218096.db2.gz LESWQYQQIQVIKX-QMMMGPOBSA-N 0 3 167.256 2.286 10 0 AEAEHN CC(C)[C@@H](C)CN[C@@H](C)c1ncc[nH]1 308517443 573218209 /nfs/dbraw/zinc/21/82/09/573218209.db2.gz NHSMWNVJIZORFZ-UWVGGRQHSA-N 0 3 195.310 2.352 10 0 AEAEHN NC1([C@H](F)c2ccccc2F)CC1 257973211 573218494 /nfs/dbraw/zinc/21/84/94/573218494.db2.gz YWFGSCMBSTUUAK-SECBINFHSA-N 0 3 183.201 2.328 10 0 AEAEHN CC[C@@H]1NCc2cccc(OC)c21 221274293 573218997 /nfs/dbraw/zinc/21/89/97/573218997.db2.gz YJIAJSURKVSJLG-VIFPVBQESA-N 0 3 177.247 2.250 10 0 AEAEHN CC[C@H](N)c1[nH]ccc1Cl 238308065 573219061 /nfs/dbraw/zinc/21/90/61/573219061.db2.gz ROLIJEITVVFKOW-LURJTMIESA-N 0 3 158.632 2.078 10 0 AEAEHN CSCCCN(C)Cc1cc[nH]c1 308316332 573219249 /nfs/dbraw/zinc/21/92/49/573219249.db2.gz XCAPTFDJVHMDMW-UHFFFAOYSA-N 0 3 198.335 2.200 10 0 AEAEHN CC[C@H]1CNCc2cc(C)oc21 238314008 573224667 /nfs/dbraw/zinc/22/46/67/573224667.db2.gz HIUCPDBFLMWBIW-QMMMGPOBSA-N 0 3 165.236 2.185 10 0 AEAEHN C[C@H](N)n1c(Cl)cc2cccnc21 258239668 573224687 /nfs/dbraw/zinc/22/46/87/573224687.db2.gz ZOZPJTMWXYSYMJ-ZCFIWIBFSA-N 0 3 195.653 2.167 10 0 AEAEHN C[C@@H]1CN(CC(=O)C(C)(C)C)C[C@H]1C 86010883 573227048 /nfs/dbraw/zinc/22/70/48/573227048.db2.gz ZZMKBYXJIAWDCD-NXEZZACHSA-N 0 3 197.322 2.189 10 0 AEAEHN COc1ccncc1[C@H](N)CC(C)C 308519861 573227118 /nfs/dbraw/zinc/22/71/18/573227118.db2.gz XFMPBZRHRLZJJH-SNVBAGLBSA-N 0 3 194.278 2.136 10 0 AEAEHN C[C@H]([NH3+])Cc1coc2cccc([O-])c12 257975539 573227615 /nfs/dbraw/zinc/22/76/15/573227615.db2.gz UVGCBMYXRFCIDB-ZETCQYMHSA-N 0 3 191.230 2.028 10 0 AEAEHN Cc1nc(C2CCCCC2)n(C)c1N 104848896 573227690 /nfs/dbraw/zinc/22/76/90/573227690.db2.gz DMZDHQYJRPCZGM-UHFFFAOYSA-N 0 3 193.294 2.358 10 0 AEAEHN Cc1cc([O-])c(Cl)cc1C[C@@H](C)[NH3+] 258242976 573234513 /nfs/dbraw/zinc/23/45/13/573234513.db2.gz WYKRVXICPWXFSB-SSDOTTSWSA-N 0 3 199.681 2.244 10 0 AEAEHN CCc1nc(C2CC2)c(N)n1C(C)C 105025270 573234970 /nfs/dbraw/zinc/23/49/70/573234970.db2.gz NZRBSGISBXQQJU-UHFFFAOYSA-N 0 3 193.294 2.486 10 0 AEAEHN Cc1nc(CC(C)C)c(N)n1C1CC1 105025088 573235666 /nfs/dbraw/zinc/23/56/66/573235666.db2.gz QQUOAVRWCIBHBN-UHFFFAOYSA-N 0 3 193.294 2.307 10 0 AEAEHN CCC(CC)c1nc(C)n(C)c1N 105025016 573235819 /nfs/dbraw/zinc/23/58/19/573235819.db2.gz QDBSSJJHGAATTP-UHFFFAOYSA-N 0 3 181.283 2.214 10 0 AEAEHN CC(C)=C[C@@H](N)c1ncccc1C 86028572 573235918 /nfs/dbraw/zinc/23/59/18/573235918.db2.gz XPSGGGYDZLVUSR-SNVBAGLBSA-N 0 3 176.263 2.356 10 0 AEAEHN CCc1nc(C(C)C)n(CC)c1N 105025358 573235949 /nfs/dbraw/zinc/23/59/49/573235949.db2.gz QRERIHLZLFQXFM-UHFFFAOYSA-N 0 3 181.283 2.171 10 0 AEAEHN CCc1nc(C(C)C)c(N)n1CC 105025239 573238993 /nfs/dbraw/zinc/23/89/93/573238993.db2.gz MYAGYWXSJLUOTE-UHFFFAOYSA-N 0 3 181.283 2.171 10 0 AEAEHN CNCc1cc(C)c(Cl)nc1C 238324025 573239188 /nfs/dbraw/zinc/23/91/88/573239188.db2.gz DWTPCSINMVVJMP-UHFFFAOYSA-N 0 3 184.670 2.071 10 0 AEAEHN CC1CCC(n2ccc(CN)n2)CC1 82856549 573240648 /nfs/dbraw/zinc/24/06/48/573240648.db2.gz HVJIVWDAMOIZMV-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN CCCC[C@@H](C)[C@@H](N)c1cn(C)cn1 308521229 573240696 /nfs/dbraw/zinc/24/06/96/573240696.db2.gz HUZRMOSLZDTZNJ-MWLCHTKSSA-N 0 3 195.310 2.246 10 0 AEAEHN CN/C=C(/C)c1ccc(F)cc1 238314764 573240822 /nfs/dbraw/zinc/24/08/22/573240822.db2.gz GTMCESXBYCEFLL-FPLPWBNLSA-N 0 3 165.211 2.406 10 0 AEAEHN CC[C@H](N)c1ccc(F)s1 238316124 573241403 /nfs/dbraw/zinc/24/14/03/573241403.db2.gz RGDQSKLCLRFPNU-YFKPBYRVSA-N 0 3 159.229 2.297 10 0 AEAEHN CN[C@]1(C)C(C)=C(C)[C@]1(C)Cl 238315962 573242109 /nfs/dbraw/zinc/24/21/09/573242109.db2.gz ZLVOPSUDTXCSHO-DTWKUNHWSA-N 0 3 173.687 2.312 10 0 AEAEHN CCc1ccccc1[C@H](N)CF 238315522 573242649 /nfs/dbraw/zinc/24/26/49/573242649.db2.gz SRVPVGALPPNFOU-SNVBAGLBSA-N 0 3 167.227 2.218 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccoc1 86056392 573242829 /nfs/dbraw/zinc/24/28/29/573242829.db2.gz ONPQPSHGZDEJFT-SECBINFHSA-N 0 3 151.209 2.246 10 0 AEAEHN CCC[C@@H](NCC)c1cn(CC)cn1 308521182 573242858 /nfs/dbraw/zinc/24/28/58/573242858.db2.gz HRTMIJGMLKMHIQ-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CCNCC(=O)CC1(CC)CCC1 308320939 573242868 /nfs/dbraw/zinc/24/28/68/573242868.db2.gz BANUOYLLZXJRTA-UHFFFAOYSA-N 0 3 183.295 2.135 10 0 AEAEHN CCN[C@@H](C)c1ncc(CC)s1 125976180 573243222 /nfs/dbraw/zinc/24/32/22/573243222.db2.gz VEUZNMGGGZUJHI-ZETCQYMHSA-N 0 3 184.308 2.376 10 0 AEAEHN CCCC[C@@H](C)[C@H](N)c1cn(C)cn1 308521228 573243288 /nfs/dbraw/zinc/24/32/88/573243288.db2.gz HUZRMOSLZDTZNJ-KOLCDFICSA-N 0 3 195.310 2.246 10 0 AEAEHN CC(C)=C[C@@H](N)c1cc(C)ccn1 86056289 573243295 /nfs/dbraw/zinc/24/32/95/573243295.db2.gz PKZQSFFFBXKKHJ-SNVBAGLBSA-N 0 3 176.263 2.356 10 0 AEAEHN CN(C)CCc1cc(F)cc(F)c1 238315115 573243336 /nfs/dbraw/zinc/24/33/36/573243336.db2.gz QMIHFTPNOPEQHC-UHFFFAOYSA-N 0 3 185.217 2.069 10 0 AEAEHN CCN[C@H](C)c1ncc(CC)s1 125975919 573243352 /nfs/dbraw/zinc/24/33/52/573243352.db2.gz VEUZNMGGGZUJHI-SSDOTTSWSA-N 0 3 184.308 2.376 10 0 AEAEHN CCOC1(NC)C(C)(C)C1(C)C 238315724 573243440 /nfs/dbraw/zinc/24/34/40/573243440.db2.gz PSINGXDJKSQYPC-UHFFFAOYSA-N 0 3 171.284 2.005 10 0 AEAEHN Nc1ccc(CN2CCCC2)c(F)c1 82864715 573243507 /nfs/dbraw/zinc/24/35/07/573243507.db2.gz VBVQAKSVSPGIED-UHFFFAOYSA-N 0 3 194.253 2.004 10 0 AEAEHN CC[C@@H](N)C(=O)CC[C@@H]1C[C@H]1C1CC1 714861847 573245504 /nfs/dbraw/zinc/24/55/04/573245504.db2.gz BHWFNPHQCIPROJ-OUAUKWLOSA-N 0 3 195.306 2.119 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cnccc1OC 308523892 573245661 /nfs/dbraw/zinc/24/56/61/573245661.db2.gz ZPCNYFNVRBZQFD-LDYMZIIASA-N 0 3 194.278 2.136 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cnccc1OC 308523891 573245847 /nfs/dbraw/zinc/24/58/47/573245847.db2.gz ZPCNYFNVRBZQFD-KWQFWETISA-N 0 3 194.278 2.136 10 0 AEAEHN COCNCc1ccc(C)c(C)c1C 259043595 573245962 /nfs/dbraw/zinc/24/59/62/573245962.db2.gz JJOMHHCXBOKGNG-UHFFFAOYSA-N 0 3 193.290 2.305 10 0 AEAEHN CCCNCC(=O)CC1(C)CCC1 308321002 573245973 /nfs/dbraw/zinc/24/59/73/573245973.db2.gz BDSYXHUHYGJJSV-UHFFFAOYSA-N 0 3 183.295 2.135 10 0 AEAEHN COC(C)(C)[C@@H](N)c1csc(C)c1 86073360 573246507 /nfs/dbraw/zinc/24/65/07/573246507.db2.gz WMMSBDJXGCVCPF-VIFPVBQESA-N 0 3 199.319 2.481 10 0 AEAEHN Nc1cc(F)ccc1CN1CCCC1 82864475 573246579 /nfs/dbraw/zinc/24/65/79/573246579.db2.gz QPRIPQHZZPTIRA-UHFFFAOYSA-N 0 3 194.253 2.004 10 0 AEAEHN COC(C)(C)[C@@H](N)c1ccsc1 86072712 573246587 /nfs/dbraw/zinc/24/65/87/573246587.db2.gz XCKVAQSOPKJUTE-QMMMGPOBSA-N 0 3 185.292 2.173 10 0 AEAEHN COC(C)(C)[C@H](N)c1ccc(C)s1 86073429 573246694 /nfs/dbraw/zinc/24/66/94/573246694.db2.gz SJBVLLLJFUWXBF-SECBINFHSA-N 0 3 199.319 2.481 10 0 AEAEHN COC(C)(C)[C@H](N)c1ccccc1C 86072664 573246940 /nfs/dbraw/zinc/24/69/40/573246940.db2.gz LWXDEHQVHCYNJQ-LLVKDONJSA-N 0 3 193.290 2.420 10 0 AEAEHN COC(C)(C)[C@@H](N)c1ccccc1 86073048 573246958 /nfs/dbraw/zinc/24/69/58/573246958.db2.gz TWHLTZMRVCGXTQ-JTQLQIEISA-N 0 3 179.263 2.111 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cnccc1OC 308523889 573249266 /nfs/dbraw/zinc/24/92/66/573249266.db2.gz ZPCNYFNVRBZQFD-GZMMTYOYSA-N 0 3 194.278 2.136 10 0 AEAEHN COC(C)(C)[C@@H](N)c1ccccc1F 86073068 573249496 /nfs/dbraw/zinc/24/94/96/573249496.db2.gz DAUZMASJDMTPGF-JTQLQIEISA-N 0 3 197.253 2.251 10 0 AEAEHN Cc1ccccc1[C@]1(C)NC[C@H](C)O1 258609312 573249575 /nfs/dbraw/zinc/24/95/75/573249575.db2.gz QWSIGPLDLHJEMU-CMPLNLGQSA-N 0 3 191.274 2.176 10 0 AEAEHN CN[C@H](CSC)c1ccc(C)o1 259055545 573253817 /nfs/dbraw/zinc/25/38/17/573253817.db2.gz GOCOSOGKIVISPT-MRVPVSSYSA-N 0 3 185.292 2.212 10 0 AEAEHN Cc1nc(C2(N)CCCC2)cs1 82875342 573253818 /nfs/dbraw/zinc/25/38/18/573253818.db2.gz PXMOOIPOZHADSM-UHFFFAOYSA-N 0 3 182.292 2.180 10 0 AEAEHN Cc1cc([O-])c(F)c([C@H]2CCC[NH2+]2)c1 257981449 573256280 /nfs/dbraw/zinc/25/62/80/573256280.db2.gz DRTBCCXPSBTTFC-SECBINFHSA-N 0 3 195.237 2.264 10 0 AEAEHN Cc1ccccc1C[C@H](F)[C@H](C)N 257981362 573256937 /nfs/dbraw/zinc/25/69/37/573256937.db2.gz ZSBHOFBMKXQRKQ-ONGXEEELSA-N 0 3 181.254 2.223 10 0 AEAEHN Cc1ncc(CNC2CC2)n1C(C)C 257980889 573256980 /nfs/dbraw/zinc/25/69/80/573256980.db2.gz ARPZOOAALGFMBV-UHFFFAOYSA-N 0 3 193.294 2.024 10 0 AEAEHN CC[C@H](N)c1ccsc1F 238319315 573257133 /nfs/dbraw/zinc/25/71/33/573257133.db2.gz UBCXSHLQDTVYEZ-LURJTMIESA-N 0 3 159.229 2.297 10 0 AEAEHN NC[C@H](F)CSc1ccccc1 257981351 573257153 /nfs/dbraw/zinc/25/71/53/573257153.db2.gz ZSABLONNCGTQBR-QMMMGPOBSA-N 0 3 185.267 2.076 10 0 AEAEHN CC[C@H](N)c1ccnc(Cl)c1F 238319100 573257235 /nfs/dbraw/zinc/25/72/35/573257235.db2.gz KHVDZSGPEJGXRA-LURJTMIESA-N 0 3 188.633 2.284 10 0 AEAEHN Cc1ccccc1C[C@@H](F)[C@H](C)N 257981354 573257236 /nfs/dbraw/zinc/25/72/36/573257236.db2.gz ZSBHOFBMKXQRKQ-GXSJLCMTSA-N 0 3 181.254 2.223 10 0 AEAEHN CC[C@H](N)c1ccsc1OC 238319331 573257785 /nfs/dbraw/zinc/25/77/85/573257785.db2.gz PEBQFAXKWIJLLD-ZETCQYMHSA-N 0 3 171.265 2.167 10 0 AEAEHN CN[C@@H](C)c1cc2cc(O)ccc2o1 258262751 573257817 /nfs/dbraw/zinc/25/78/17/573257817.db2.gz RZVRAZFEFSNSEN-ZETCQYMHSA-N 0 3 191.230 2.419 10 0 AEAEHN CCc1cc(Cl)cc2c1[C@H](N)CO2 238326681 573259832 /nfs/dbraw/zinc/25/98/32/573259832.db2.gz IJJMWLQDIVLSIY-MRVPVSSYSA-N 0 3 197.665 2.295 10 0 AEAEHN CCCC[C@@H](C)N1CCC(=O)[C@H](C)C1 50888973 573259971 /nfs/dbraw/zinc/25/99/71/573259971.db2.gz OXDZUQFXGFVKGH-GHMZBOCLSA-N 0 3 197.322 2.476 10 0 AEAEHN CNCc1ccc(C(C)(C)C)nc1 238326685 573261501 /nfs/dbraw/zinc/26/15/01/573261501.db2.gz SNLFKIJQZYOJHZ-UHFFFAOYSA-N 0 3 178.279 2.099 10 0 AEAEHN CN[C@H](C)c1cc(C)cnc1Cl 238330198 573269259 /nfs/dbraw/zinc/26/92/59/573269259.db2.gz YZYPHZUIVRUGIE-SSDOTTSWSA-N 0 3 184.670 2.324 10 0 AEAEHN CCC(=O)CN(C)C1CCCCC1 50179699 573270457 /nfs/dbraw/zinc/27/04/57/573270457.db2.gz BRFSAJJEZNJURT-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CCC(=O)CN(C)CC1CCCCC1 50179973 573272860 /nfs/dbraw/zinc/27/28/60/573272860.db2.gz VUSVGHBWWQQWDH-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CC(C)[C@H]1CSC(NCC2CC2)=N1 86126763 573272889 /nfs/dbraw/zinc/27/28/89/573272889.db2.gz AVJRLWZIENEWRX-SECBINFHSA-N 0 3 198.335 2.113 10 0 AEAEHN CSC[C@@H]1NCCc2ccccc21 258274079 573273278 /nfs/dbraw/zinc/27/32/78/573273278.db2.gz UUENNVLIIPISJN-NSHDSACASA-N 0 3 193.315 2.236 10 0 AEAEHN NCc1cc2ccoc2cc1F 257990832 573279471 /nfs/dbraw/zinc/27/94/71/573279471.db2.gz KPWLLDXMKOHFOF-UHFFFAOYSA-N 0 3 165.167 2.031 10 0 AEAEHN NCc1cc2cccc3c2n1CCC3 257990831 573279537 /nfs/dbraw/zinc/27/95/37/573279537.db2.gz KPWBTNQCDPDFIU-UHFFFAOYSA-N 0 3 186.258 2.046 10 0 AEAEHN CNCc1nccc2ccsc12 238332715 573280798 /nfs/dbraw/zinc/28/07/98/573280798.db2.gz KTCXHMPWMDFHDF-UHFFFAOYSA-N 0 3 178.260 2.016 10 0 AEAEHN Cc1c(O)ccc(CN(C)C)c1C 238331817 573280961 /nfs/dbraw/zinc/28/09/61/573280961.db2.gz KZHCBDBQNUDDIY-UHFFFAOYSA-N 0 3 179.263 2.071 10 0 AEAEHN NC1(C(=O)C2CCCC2)CCCCC1 74243075 573281137 /nfs/dbraw/zinc/28/11/37/573281137.db2.gz DHIXYXUFOIPSIL-UHFFFAOYSA-N 0 3 195.306 2.407 10 0 AEAEHN CNCc1ncc(C)c2ccsc12 238332535 573281186 /nfs/dbraw/zinc/28/11/86/573281186.db2.gz WOQRWQMULHZVFR-UHFFFAOYSA-N 0 3 192.287 2.324 10 0 AEAEHN Cc1occc1-c1nc(CN)cs1 74246394 573281638 /nfs/dbraw/zinc/28/16/38/573281638.db2.gz PODQSJMTMDDCBS-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN Cn1cnc([C@@H](N)C2CCCCC2)c1 236092342 573281665 /nfs/dbraw/zinc/28/16/65/573281665.db2.gz XNNQXJWICFYZIT-NSHDSACASA-N 0 3 193.294 2.000 10 0 AEAEHN CN[C@@H](C)c1cccc(Cl)n1 238332973 573281768 /nfs/dbraw/zinc/28/17/68/573281768.db2.gz LAQHZLMFYWRGCN-LURJTMIESA-N 0 3 170.643 2.015 10 0 AEAEHN CCCCC[C@H](N)c1cn(CC)cn1 308538649 573281860 /nfs/dbraw/zinc/28/18/60/573281860.db2.gz MALRXZDPFCWJJP-JTQLQIEISA-N 0 3 195.310 2.483 10 0 AEAEHN N[C@@H](CC(F)(F)F)c1cncs1 74242834 573283905 /nfs/dbraw/zinc/28/39/05/573283905.db2.gz XBRARHRWFRGSNO-BYPYZUCNSA-N 0 3 196.197 2.095 10 0 AEAEHN CN[C@H](C)c1cc(N)ccc1Cl 238332477 573283952 /nfs/dbraw/zinc/28/39/52/573283952.db2.gz MYLMHXLSOWMYJN-ZCFIWIBFSA-N 0 3 184.670 2.203 10 0 AEAEHN CNCc1nccc2sccc12 238332787 573285161 /nfs/dbraw/zinc/28/51/61/573285161.db2.gz IJHCXPQKSCKNIB-UHFFFAOYSA-N 0 3 178.260 2.016 10 0 AEAEHN N[C@H](CC(F)(F)F)c1cncs1 74242831 573285205 /nfs/dbraw/zinc/28/52/05/573285205.db2.gz XBRARHRWFRGSNO-SCSAIBSYSA-N 0 3 196.197 2.095 10 0 AEAEHN NC1(C(=O)C2CCCCC2)CCCC1 74243076 573285521 /nfs/dbraw/zinc/28/55/21/573285521.db2.gz ZAMNTDBCFXOBKL-UHFFFAOYSA-N 0 3 195.306 2.407 10 0 AEAEHN CCc1cc(NC(=N)C(C)C)n[nH]1 238334083 573286084 /nfs/dbraw/zinc/28/60/84/573286084.db2.gz HYRPFVSZHCZEMN-UHFFFAOYSA-N 0 3 180.255 2.017 10 0 AEAEHN C[C@@H](N)c1csc(-c2ccc[nH]2)n1 259402364 573286254 /nfs/dbraw/zinc/28/62/54/573286254.db2.gz TZCMUXPMHWIHAM-ZCFIWIBFSA-N 0 3 193.275 2.158 10 0 AEAEHN CNc1ccc(Cl)cc1[C@@H](C)N 238334142 573286272 /nfs/dbraw/zinc/28/62/72/573286272.db2.gz KTCRPLPCJXEVDJ-ZCFIWIBFSA-N 0 3 184.670 2.401 10 0 AEAEHN CCCC[C@H](C)NC1=NCCS1 50889878 573288363 /nfs/dbraw/zinc/28/83/63/573288363.db2.gz BCFDPWRGXFLKOZ-QMMMGPOBSA-N 0 3 186.324 2.258 10 0 AEAEHN CCCN[C@H](C)c1c[nH]c(C2CC2)n1 308541689 573290679 /nfs/dbraw/zinc/29/06/79/573290679.db2.gz MUVHVSYVMCXRRN-MRVPVSSYSA-N 0 3 193.294 2.348 10 0 AEAEHN CN[C@H](C)C(=O)C[C@@H]1CCC[C@H](C)C1 308541514 573290899 /nfs/dbraw/zinc/29/08/99/573290899.db2.gz UDWNWLTYBXUBTR-HBNTYKKESA-N 0 3 197.322 2.380 10 0 AEAEHN CCN1C[C@@H](C)c2cccc(CN)c21 257997164 573294005 /nfs/dbraw/zinc/29/40/05/573294005.db2.gz IFEFSEXETHQKCA-SECBINFHSA-N 0 3 190.290 2.089 10 0 AEAEHN CN[C@@H](C)c1cnccc1Cl 238336172 573296564 /nfs/dbraw/zinc/29/65/64/573296564.db2.gz KQKQKZWVUGFVPV-LURJTMIESA-N 0 3 170.643 2.015 10 0 AEAEHN C[C@H]1C[C@H](c2ccc(F)cc2F)N1 259075932 573306304 /nfs/dbraw/zinc/30/63/04/573306304.db2.gz FPGMSWCJZRJQPT-QUBYGPBYSA-N 0 3 183.201 2.388 10 0 AEAEHN CN[C@@H]1c2c(C)ccc(F)c2O[C@@H]1C 82939369 573305772 /nfs/dbraw/zinc/30/57/72/573305772.db2.gz STPDKUGBUDOYDS-XCBNKYQSSA-N 0 3 195.237 2.176 10 0 AEAEHN CN[C@@H]1CCOc2c(F)ccc(C)c21 82939362 573305850 /nfs/dbraw/zinc/30/58/50/573305850.db2.gz SWFRXYPDXBWKRF-SECBINFHSA-N 0 3 195.237 2.177 10 0 AEAEHN Cc1nc(CN2CCCCCC2)c[nH]1 258285326 573305892 /nfs/dbraw/zinc/30/58/92/573305892.db2.gz UCWXQFYUVMWFMK-UHFFFAOYSA-N 0 3 193.294 2.094 10 0 AEAEHN CC[C@H](N)c1cccc(F)c1OC 74299496 573305951 /nfs/dbraw/zinc/30/59/51/573305951.db2.gz OWMYXZMZLKQITD-VIFPVBQESA-N 0 3 183.226 2.244 10 0 AEAEHN CC[C@H](N[C@@H](C)CCO)c1ccco1 132481098 573306038 /nfs/dbraw/zinc/30/60/38/573306038.db2.gz KYEFAFVUHXSTLK-UWVGGRQHSA-N 0 3 197.278 2.091 10 0 AEAEHN CC[C@@H]1Oc2c(F)ccc(C)c2[C@H]1N 82939371 573306110 /nfs/dbraw/zinc/30/61/10/573306110.db2.gz KYKKATNFHLZLLU-WPRPVWTQSA-N 0 3 195.237 2.305 10 0 AEAEHN CC[C@@H](N[C@H](C)CCO)c1ccco1 132481719 573306185 /nfs/dbraw/zinc/30/61/85/573306185.db2.gz KYEFAFVUHXSTLK-NXEZZACHSA-N 0 3 197.278 2.091 10 0 AEAEHN CC(C)C(C)(C)N[C@H](C)c1ncc[nH]1 308544203 573308057 /nfs/dbraw/zinc/30/80/57/573308057.db2.gz VKOBDNRWPXLZQU-SECBINFHSA-N 0 3 195.310 2.495 10 0 AEAEHN COc1cccc2oc([C@H](C)N)cc12 238340895 573308227 /nfs/dbraw/zinc/30/82/27/573308227.db2.gz KQCMUEHNGWSAJJ-ZETCQYMHSA-N 0 3 191.230 2.461 10 0 AEAEHN C[NH2+]CCc1cc(C)cc([O-])c1Cl 258000674 573308233 /nfs/dbraw/zinc/30/82/33/573308233.db2.gz CARWSLHBCHGBJQ-UHFFFAOYSA-N 0 3 199.681 2.116 10 0 AEAEHN COc1cccc2oc([C@@H](C)N)cc12 238340875 573308306 /nfs/dbraw/zinc/30/83/06/573308306.db2.gz KQCMUEHNGWSAJJ-SSDOTTSWSA-N 0 3 191.230 2.461 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1cccs1 86202374 573308490 /nfs/dbraw/zinc/30/84/90/573308490.db2.gz YLZUWPZGLCAAMY-APPZFPTMSA-N 0 3 167.277 2.332 10 0 AEAEHN N[C@H](CC1CC1)c1cccnc1F 74303695 573309962 /nfs/dbraw/zinc/30/99/62/573309962.db2.gz CNSQUSFZJKKMHY-SECBINFHSA-N 0 3 180.226 2.021 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1cccc(C)n1 86204425 573311732 /nfs/dbraw/zinc/31/17/32/573311732.db2.gz OKMLUFGPJWDZNN-PWSUYJOCSA-N 0 3 190.290 2.364 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1ccccn1 86204349 573311748 /nfs/dbraw/zinc/31/17/48/573311748.db2.gz WNIKUUSOJYZRRW-MWLCHTKSSA-N 0 3 176.263 2.056 10 0 AEAEHN CC[C@H](C)[N@H+](C)Cc1ccc([O-])cn1 132511985 573314091 /nfs/dbraw/zinc/31/40/91/573314091.db2.gz NADKKBARIPQXNE-VIFPVBQESA-N 0 3 194.278 2.018 10 0 AEAEHN CC[C@H](C)[N@@H+](C)Cc1ccc([O-])cn1 132511985 573314094 /nfs/dbraw/zinc/31/40/94/573314094.db2.gz NADKKBARIPQXNE-VIFPVBQESA-N 0 3 194.278 2.018 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1ccoc1 86206079 573314228 /nfs/dbraw/zinc/31/42/28/573314228.db2.gz UJASCTAJEFFNAF-SCZZXKLOSA-N 0 3 165.236 2.254 10 0 AEAEHN C[C@H](NC[C@@H](C)C1CC1)c1cc[nH]n1 132462440 573314328 /nfs/dbraw/zinc/31/43/28/573314328.db2.gz LIIRZWSSIZWUPG-BDAKNGLRSA-N 0 3 193.294 2.106 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1ccccn1 86204355 573314410 /nfs/dbraw/zinc/31/44/10/573314410.db2.gz WNIKUUSOJYZRRW-ONGXEEELSA-N 0 3 176.263 2.056 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1cccc(C)n1 86204428 573314473 /nfs/dbraw/zinc/31/44/73/573314473.db2.gz OKMLUFGPJWDZNN-JQWIXIFHSA-N 0 3 190.290 2.364 10 0 AEAEHN CC(C)C[C@H](C)[C@H](N)c1ccnn1C 308553631 573323659 /nfs/dbraw/zinc/32/36/59/573323659.db2.gz RDLRJNWHWOYWTR-ONGXEEELSA-N 0 3 195.310 2.102 10 0 AEAEHN C[NH2+]C(C)(C)Cc1ccc([O-])c(F)c1 106874469 573324182 /nfs/dbraw/zinc/32/41/82/573324182.db2.gz FXGULVVIXZLFAK-UHFFFAOYSA-N 0 3 197.253 2.072 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCC[C@H](C)CC1 82953636 573324056 /nfs/dbraw/zinc/32/40/56/573324056.db2.gz CZIQHOAUTUCUNM-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)(C[NH3+])c1ccc([O-])c(Cl)c1 106877697 573327861 /nfs/dbraw/zinc/32/78/61/573327861.db2.gz YSUILUOGSNWGAY-UHFFFAOYSA-N 0 3 199.681 2.282 10 0 AEAEHN C[NH2+]C[C@@H](C)c1cc([O-])cc(Cl)c1 106877682 573327937 /nfs/dbraw/zinc/32/79/37/573327937.db2.gz DCWUKJAXNRHMOO-SSDOTTSWSA-N 0 3 199.681 2.369 10 0 AEAEHN CN[C@H](c1occc1C)[C@@H](C)COC 686245247 573337338 /nfs/dbraw/zinc/33/73/38/573337338.db2.gz VNDWMIGCAQTENJ-UWVGGRQHSA-N 0 3 197.278 2.131 10 0 AEAEHN CCCN[C@@H](CC)c1cn(CC)cn1 308559778 573337571 /nfs/dbraw/zinc/33/75/71/573337571.db2.gz VFJKLQGPDAQESY-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCC(CC)Cn1ncc(C)c1CN 308560612 573337593 /nfs/dbraw/zinc/33/75/93/573337593.db2.gz XDBKWWZGLAHICN-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN F[C@H](c1ccccc1)[C@H]1CCN1 258633300 573339008 /nfs/dbraw/zinc/33/90/08/573339008.db2.gz YAPAURLXQGICKW-NXEZZACHSA-N 0 3 165.211 2.059 10 0 AEAEHN COc1ccc(/C=C(/F)[C@H](C)N)cc1 238355216 573339061 /nfs/dbraw/zinc/33/90/61/573339061.db2.gz XGSGOFORZJYEDA-LBTPYSACSA-N 0 3 195.237 2.353 10 0 AEAEHN CN[C@@H](c1occc1C)[C@H](C)COC 686245246 573339151 /nfs/dbraw/zinc/33/91/51/573339151.db2.gz VNDWMIGCAQTENJ-NXEZZACHSA-N 0 3 197.278 2.131 10 0 AEAEHN CC(C)CC[C@H](NC1COC1)C1CC1 308555175 573341526 /nfs/dbraw/zinc/34/15/26/573341526.db2.gz RVENJMFJFCYBEV-LBPRGKRZSA-N 0 3 197.322 2.190 10 0 AEAEHN Cc1cccc([C@@H]2CCC[C@@H](O)N2)c1 258634393 573341740 /nfs/dbraw/zinc/34/17/40/573341740.db2.gz LDWAETNZWLESQQ-NWDGAFQWSA-N 0 3 191.274 2.128 10 0 AEAEHN Cc1cccc([C@@H]2CCC[C@H](O)N2)c1 258634395 573341760 /nfs/dbraw/zinc/34/17/60/573341760.db2.gz LDWAETNZWLESQQ-RYUDHWBXSA-N 0 3 191.274 2.128 10 0 AEAEHN COc1cc(F)c([C@@H]2CCN2)cc1F 238362498 573343292 /nfs/dbraw/zinc/34/32/92/573343292.db2.gz PBYRWAUCDLGFLF-VIFPVBQESA-N 0 3 199.200 2.008 10 0 AEAEHN Clc1ccc(C23CC(C2)N3)cc1 258305579 573343462 /nfs/dbraw/zinc/34/34/62/573343462.db2.gz STMAKDJAJBAEPY-UHFFFAOYSA-N 0 3 179.650 2.301 10 0 AEAEHN CC(C)C(=O)CN1CCCC1(C)C 86276672 573345902 /nfs/dbraw/zinc/34/59/02/573345902.db2.gz MSIZFUWDNAPYJN-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)C(=O)CN1CCCC[C@H]1C 86276291 573346353 /nfs/dbraw/zinc/34/63/53/573346353.db2.gz GIWVICDRDHDQKA-SNVBAGLBSA-N 0 3 183.295 2.086 10 0 AEAEHN C=Cc1cncc([C@@H](C)NC)c1 209789156 573350544 /nfs/dbraw/zinc/35/05/44/573350544.db2.gz RDGXRHDMXSODAN-MRVPVSSYSA-N 0 3 162.236 2.005 10 0 AEAEHN CC(C)C(=O)CN1CCC(C)(C)CC1 86276650 573350568 /nfs/dbraw/zinc/35/05/68/573350568.db2.gz AQYKOYLEAKKGBK-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@]1(C2CCC2)NCCC1(F)F 258009168 573351807 /nfs/dbraw/zinc/35/18/07/573351807.db2.gz HANGNOUWGPEDTM-MRVPVSSYSA-N 0 3 175.222 2.174 10 0 AEAEHN C[C@H](N[C@@H](C)C(C)(C)C)c1ncc[nH]1 308558237 573351816 /nfs/dbraw/zinc/35/18/16/573351816.db2.gz CMJYDDPUBUQSPZ-IUCAKERBSA-N 0 3 195.310 2.495 10 0 AEAEHN CC(C)CCN1CCC(=O)[C@@H](C)[C@H]1C 86302978 573351926 /nfs/dbraw/zinc/35/19/26/573351926.db2.gz VTNAOZUOVGDZOI-WDEREUQCSA-N 0 3 197.322 2.332 10 0 AEAEHN Cc1cn([C@H](C)CC(C)C)nc1CN 308559465 573352271 /nfs/dbraw/zinc/35/22/71/573352271.db2.gz WJOHFWOAEUUTFY-SNVBAGLBSA-N 0 3 195.310 2.257 10 0 AEAEHN CCC(CC)N1CCC(=O)[C@H](C)[C@@H]1C 86303260 573353239 /nfs/dbraw/zinc/35/32/39/573353239.db2.gz XZMMRJBCYJWGBN-ZJUUUORDSA-N 0 3 197.322 2.474 10 0 AEAEHN C=Cc1ccc([C@@H](C)NC)nc1 209789240 573353259 /nfs/dbraw/zinc/35/32/59/573353259.db2.gz PWIZTFRCXSXURU-MRVPVSSYSA-N 0 3 162.236 2.005 10 0 AEAEHN C[C@H]1C(=O)CCN(C2CCCC2)[C@@H]1C 86303236 573353489 /nfs/dbraw/zinc/35/34/89/573353489.db2.gz URTSOHAZUCANGH-NXEZZACHSA-N 0 3 195.306 2.228 10 0 AEAEHN CCc1nc([C@@H](C)N)cn1[C@H](C)CC 308558979 573353567 /nfs/dbraw/zinc/35/35/67/573353567.db2.gz UWWOIOPDNROMKK-RKDXNWHRSA-N 0 3 195.310 2.436 10 0 AEAEHN CCc1nc([C@H](C)N)cn1[C@@H](C)CC 308558978 573353593 /nfs/dbraw/zinc/35/35/93/573353593.db2.gz UWWOIOPDNROMKK-IUCAKERBSA-N 0 3 195.310 2.436 10 0 AEAEHN C[C@H](N[C@H](C)C(C)(C)C)c1ncc[nH]1 308558236 573353619 /nfs/dbraw/zinc/35/36/19/573353619.db2.gz CMJYDDPUBUQSPZ-DTWKUNHWSA-N 0 3 195.310 2.495 10 0 AEAEHN C[C@H]1C(=O)CCN(CC2CCC2)[C@@H]1C 86303499 573353636 /nfs/dbraw/zinc/35/36/36/573353636.db2.gz BTKFUJBCFCGMNH-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1C(=O)CCN(CC(C)(C)C)[C@H]1C 86304132 573353687 /nfs/dbraw/zinc/35/36/87/573353687.db2.gz QLVQFSNNQMTCJV-UWVGGRQHSA-N 0 3 197.322 2.332 10 0 AEAEHN NCc1ccc2occc2c1F 107120448 573353708 /nfs/dbraw/zinc/35/37/08/573353708.db2.gz JDDVHOUNDSUELN-UHFFFAOYSA-N 0 3 165.167 2.031 10 0 AEAEHN CN(C)Cc1coc2cc(O)ccc12 258006098 573353736 /nfs/dbraw/zinc/35/37/36/573353736.db2.gz LKBQVOWHLNZZPE-UHFFFAOYSA-N 0 3 191.230 2.200 10 0 AEAEHN CC(C)CCN1CCC(=O)[C@@H](C)[C@@H]1C 86302974 573354071 /nfs/dbraw/zinc/35/40/71/573354071.db2.gz VTNAOZUOVGDZOI-QWRGUYRKSA-N 0 3 197.322 2.332 10 0 AEAEHN CCC(C)(C)N1CCC(=O)[C@@H](C)[C@@H]1C 86303295 573354129 /nfs/dbraw/zinc/35/41/29/573354129.db2.gz ANLVLDNARWDPGY-UWVGGRQHSA-N 0 3 197.322 2.474 10 0 AEAEHN CN(CCc1nccs1)C1CCC1 308364757 573354162 /nfs/dbraw/zinc/35/41/62/573354162.db2.gz NOZGECQUEGURDZ-UHFFFAOYSA-N 0 3 196.319 2.170 10 0 AEAEHN Cc1noc2ccc(CN)c(Cl)c12 259426793 573354186 /nfs/dbraw/zinc/35/41/86/573354186.db2.gz NNNJIZNEPVENAT-UHFFFAOYSA-N 0 3 196.637 2.248 10 0 AEAEHN C[C@H]1[C@@H](C)C(=O)CCN1CC1CCC1 86303497 573357172 /nfs/dbraw/zinc/35/71/72/573357172.db2.gz BTKFUJBCFCGMNH-ZJUUUORDSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1[C@@H](C)C(=O)CCN1C1CCCC1 86303233 573357195 /nfs/dbraw/zinc/35/71/95/573357195.db2.gz URTSOHAZUCANGH-ZJUUUORDSA-N 0 3 195.306 2.228 10 0 AEAEHN CP(C)C1CCC(=O)CC1 78139374 573364138 /nfs/dbraw/zinc/36/41/38/573364138.db2.gz HHSHIUWGXWCQMX-UHFFFAOYSA-N 0 3 158.181 2.240 10 0 AEAEHN CC[C@@H](F)CN(CC)C[C@@H](C)OC 308367728 573364153 /nfs/dbraw/zinc/36/41/53/573364153.db2.gz OVXUYPWTJQOGRA-NXEZZACHSA-N 0 3 191.290 2.091 10 0 AEAEHN CCn1cnc([C@@H](N)CC(C)(C)C)c1 308562339 573364204 /nfs/dbraw/zinc/36/42/04/573364204.db2.gz WSZKTVQZOCGGHP-VIFPVBQESA-N 0 3 195.310 2.339 10 0 AEAEHN N[C@H](CF)c1ccc2occc2c1 107126684 573364366 /nfs/dbraw/zinc/36/43/66/573364366.db2.gz ATXVIDVGTDYXNR-SECBINFHSA-N 0 3 179.194 2.402 10 0 AEAEHN CN[C@H](CC1(C)CCC1)c1ncc[nH]1 308562553 573364384 /nfs/dbraw/zinc/36/43/84/573364384.db2.gz GCMSOYPUULVENT-SECBINFHSA-N 0 3 193.294 2.251 10 0 AEAEHN C/C=C/CN(CC)C[C@@H]1CCCO1 308369389 573364414 /nfs/dbraw/zinc/36/44/14/573364414.db2.gz PQJNQVAKEFLEEZ-TZNOJPMFSA-N 0 3 183.295 2.063 10 0 AEAEHN CC[C@H](C)/C=C(\C)C[C@H]1COCCN1 308368109 573365553 /nfs/dbraw/zinc/36/55/53/573365553.db2.gz RTVVDIITWITZPS-ASLGPSORSA-N 0 3 197.322 2.357 10 0 AEAEHN CC[C@H](C)/C=C(\C)C[C@@H]1COCCN1 308368110 573365922 /nfs/dbraw/zinc/36/59/22/573365922.db2.gz RTVVDIITWITZPS-SGVWJNLRSA-N 0 3 197.322 2.357 10 0 AEAEHN N[C@@H](CF)c1cccc2ccoc12 107126681 573365370 /nfs/dbraw/zinc/36/53/70/573365370.db2.gz KWLSVYSWEYHWHT-VIFPVBQESA-N 0 3 179.194 2.402 10 0 AEAEHN CO[C@H](N)c1cc(C)c(C)cc1C 259431107 573373202 /nfs/dbraw/zinc/37/32/02/573373202.db2.gz NDHKELPMBXNENF-NSHDSACASA-N 0 3 179.263 2.216 10 0 AEAEHN F[C@@H](c1cccnc1)[C@H]1CCCCN1 236190737 573373352 /nfs/dbraw/zinc/37/33/52/573373352.db2.gz AWLAAWLXUSPOGQ-MNOVXSKESA-N 0 3 194.253 2.234 10 0 AEAEHN COc1c(C)cc(F)cc1C1(N)CC1 214799285 573373369 /nfs/dbraw/zinc/37/33/69/573373369.db2.gz CRDAQJKYHOKBKR-UHFFFAOYSA-N 0 3 195.237 2.091 10 0 AEAEHN Cc1ccc(C[C@@]2(F)CCCNC2)o1 107140353 573374214 /nfs/dbraw/zinc/37/42/14/573374214.db2.gz SDQZZDVJDDEUIH-NSHDSACASA-N 0 3 197.253 2.222 10 0 AEAEHN COc1cc(C)c(F)cc1C1(N)CC1 214798853 573374223 /nfs/dbraw/zinc/37/42/23/573374223.db2.gz MTVCYRCCXLOANL-UHFFFAOYSA-N 0 3 195.237 2.091 10 0 AEAEHN C[C@H]1C[C@](O)(C2CCCC2)CCN1C 107140906 573374303 /nfs/dbraw/zinc/37/43/03/573374303.db2.gz AJGOHURNHNHWDC-JQWIXIFHSA-N 0 3 197.322 2.022 10 0 AEAEHN C[C@H]1C[C@@](O)(C2CCCC2)CCN1C 107140911 573374513 /nfs/dbraw/zinc/37/45/13/573374513.db2.gz AJGOHURNHNHWDC-CMPLNLGQSA-N 0 3 197.322 2.022 10 0 AEAEHN CN1CCC[C@H]1c1ccc(C=O)cc1 117873186 573374571 /nfs/dbraw/zinc/37/45/71/573374571.db2.gz IOHFBBHAYBGFPF-LBPRGKRZSA-N 0 3 189.258 2.266 10 0 AEAEHN COc1ccccc1[C@@]12CC[C@@H](C1)N2 258014844 573374888 /nfs/dbraw/zinc/37/48/88/573374888.db2.gz FMIUQCFJUBRAOC-JOYOIKCWSA-N 0 3 189.258 2.046 10 0 AEAEHN Cc1coc(C[C@]2(F)CCCNC2)c1 107140345 573374944 /nfs/dbraw/zinc/37/49/44/573374944.db2.gz JFAYBSYGEYYDPE-LLVKDONJSA-N 0 3 197.253 2.222 10 0 AEAEHN C[C@@H]1CC[C@H](N2CCC(=O)CC2)[C@@H]1C 83044823 573374981 /nfs/dbraw/zinc/37/49/81/573374981.db2.gz KSZKFGQQUGNDQB-FOGDFJRCSA-N 0 3 195.306 2.086 10 0 AEAEHN CCOc1ccc(C2(N)CC2)c(F)c1 214798436 573375014 /nfs/dbraw/zinc/37/50/14/573375014.db2.gz BARJBLSXLWFZBB-UHFFFAOYSA-N 0 3 195.237 2.172 10 0 AEAEHN CCc1ccc([C@H]2CCCCN2)nc1 259431932 573385543 /nfs/dbraw/zinc/38/55/43/573385543.db2.gz UDJMYOLGDYLZBU-LLVKDONJSA-N 0 3 190.290 2.459 10 0 AEAEHN COC[C@@H](N)c1cc(C)c(F)c(C)c1 238376097 573385564 /nfs/dbraw/zinc/38/55/64/573385564.db2.gz CEQJHMCBTGZIQO-SNVBAGLBSA-N 0 3 197.253 2.089 10 0 AEAEHN COc1ccccc1[C@H]1CC=CCN1 238374572 573385579 /nfs/dbraw/zinc/38/55/79/573385579.db2.gz LGBBNQFTLOBYHZ-LLVKDONJSA-N 0 3 189.258 2.286 10 0 AEAEHN COc1ccc(Cl)c([C@H]2CCN2)c1 238375395 573385619 /nfs/dbraw/zinc/38/56/19/573385619.db2.gz ZFNZKLGCXKSRSY-SNVBAGLBSA-N 0 3 197.665 2.383 10 0 AEAEHN CCN[C@@H](C)c1c[nH]c(CC(C)C)n1 308566707 573385734 /nfs/dbraw/zinc/38/57/34/573385734.db2.gz YSAOEEIYXOXTCV-VIFPVBQESA-N 0 3 195.310 2.279 10 0 AEAEHN COc1cccc(F)c1C1(N)CCC1 238375015 573385745 /nfs/dbraw/zinc/38/57/45/573385745.db2.gz IEIYKFRHVDIXKW-UHFFFAOYSA-N 0 3 195.237 2.172 10 0 AEAEHN CCN[C@@H](C)c1cncc(OCC)c1 124247512 573389308 /nfs/dbraw/zinc/38/93/08/573389308.db2.gz OSPLQTSFYJJJTC-VIFPVBQESA-N 0 3 194.278 2.151 10 0 AEAEHN c1cc2[nH]c3c(c2cn1)CCCC3 118343032 573393850 /nfs/dbraw/zinc/39/38/50/573393850.db2.gz OPSBNIJCFIELHU-UHFFFAOYSA-N 0 3 172.231 2.442 10 0 AEAEHN CC[C@@H](CCOC)Nc1ccncc1 308568943 573393882 /nfs/dbraw/zinc/39/38/82/573393882.db2.gz BLCMZDZFKLPJOW-JTQLQIEISA-N 0 3 194.278 2.309 10 0 AEAEHN N[C@@H]1CCCNc2cccc(F)c21 257804450 573393903 /nfs/dbraw/zinc/39/39/03/573393903.db2.gz SMPHWFIPEBRJLD-MRVPVSSYSA-N 0 3 180.226 2.031 10 0 AEAEHN Cc1ccc([C@@H](CN)OC(C)C)s1 43244918 573394171 /nfs/dbraw/zinc/39/41/71/573394171.db2.gz HYNCCFPRQUYYBE-SECBINFHSA-N 0 3 199.319 2.481 10 0 AEAEHN CC[C@@H](N)c1cc(C(C)C)on1 107162168 573395950 /nfs/dbraw/zinc/39/59/50/573395950.db2.gz WPPKMNUIQBYUCX-SSDOTTSWSA-N 0 3 168.240 2.208 10 0 AEAEHN C[C@@H](N)c1cc2cc[nH]c2c(Cl)n1 238386817 573396065 /nfs/dbraw/zinc/39/60/65/573396065.db2.gz NUQVZYWQHGXWCM-RXMQYKEDSA-N 0 3 195.653 2.236 10 0 AEAEHN CSc1cccc2c1CN[C@H](C)C2 238386089 573396136 /nfs/dbraw/zinc/39/61/36/573396136.db2.gz NPEOHDQAQWLBJP-MRVPVSSYSA-N 0 3 193.315 2.443 10 0 AEAEHN CCCCCN[C@H](C)c1cncnc1 308569532 573396232 /nfs/dbraw/zinc/39/62/32/573396232.db2.gz BNDZLDYQJZZCFE-SNVBAGLBSA-N 0 3 193.294 2.317 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cccc(C)n1 86391237 573401156 /nfs/dbraw/zinc/40/11/56/573401156.db2.gz KDLNZSZGWBHVFB-KCJUWKMLSA-N 0 3 178.279 2.436 10 0 AEAEHN CC1(C)CNCc2cscc21 118460486 573401219 /nfs/dbraw/zinc/40/12/19/573401219.db2.gz IYFVWQJQPHEHSC-UHFFFAOYSA-N 0 3 167.277 2.129 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cccc(C)n1 86391243 573401254 /nfs/dbraw/zinc/40/12/54/573401254.db2.gz KDLNZSZGWBHVFB-LDYMZIIASA-N 0 3 178.279 2.436 10 0 AEAEHN CC(C)CCNc1ncc(CN)s1 259094907 573401330 /nfs/dbraw/zinc/40/13/30/573401330.db2.gz ZHBAODVBMPISTP-UHFFFAOYSA-N 0 3 199.323 2.060 10 0 AEAEHN COC1=CCc2cc(C)ccc2[C@H]1N 238388561 573401347 /nfs/dbraw/zinc/40/13/47/573401347.db2.gz MPAMWGYUNGGMCZ-GFCCVEGCSA-N 0 3 189.258 2.081 10 0 AEAEHN C[C@H](NC1=N[C@H](C)CS1)C1CCC1 124273776 573401494 /nfs/dbraw/zinc/40/14/94/573401494.db2.gz QQZDJSHIULHHHK-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CN[C@@](C)(Cc2cccs2)O1 258343100 573401531 /nfs/dbraw/zinc/40/15/31/573401531.db2.gz FEUSEOGABVBUOS-PSASIEDQSA-N 0 3 197.303 2.015 10 0 AEAEHN Cc1cccc([C@@H](F)[C@@H](C)N)c1 258643886 573401581 /nfs/dbraw/zinc/40/15/81/573401581.db2.gz YXLKAWOHYASNQS-SCZZXKLOSA-N 0 3 167.227 2.353 10 0 AEAEHN CC[C@H](C)[C@H](N)c1ccccn1 86390469 573401611 /nfs/dbraw/zinc/40/16/11/573401611.db2.gz GAIFCYNPTUEANT-WPRPVWTQSA-N 0 3 164.252 2.128 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cc(C)ccn1 86391317 573401633 /nfs/dbraw/zinc/40/16/33/573401633.db2.gz UUSRPUIXESSZIV-KOLCDFICSA-N 0 3 178.279 2.436 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cccc(C)n1 86391240 573401645 /nfs/dbraw/zinc/40/16/45/573401645.db2.gz KDLNZSZGWBHVFB-KWQFWETISA-N 0 3 178.279 2.436 10 0 AEAEHN C[C@@H]1CN[C@](C)(Cc2cccs2)O1 258343109 573402927 /nfs/dbraw/zinc/40/29/27/573402927.db2.gz FEUSEOGABVBUOS-SCZZXKLOSA-N 0 3 197.303 2.015 10 0 AEAEHN c1[nH]nc(C2CC2)c1[C@@H]1CCCCN1 107178047 573403568 /nfs/dbraw/zinc/40/35/68/573403568.db2.gz HMTWIDIFXDZONB-JTQLQIEISA-N 0 3 191.278 2.102 10 0 AEAEHN c1noc(C2CC2)c1[C@H]1CCCCN1 107179750 573404907 /nfs/dbraw/zinc/40/49/07/573404907.db2.gz CUDXOADZQYNLEE-SNVBAGLBSA-N 0 3 192.262 2.367 10 0 AEAEHN C[C@H](CCC1CC1)C[C@H]1COCCN1 308576053 573405282 /nfs/dbraw/zinc/40/52/82/573405282.db2.gz HJRLJRIGPMSKTM-PWSUYJOCSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@@H](CC1CCC1)C[C@@H]1COCCN1 308574874 573406199 /nfs/dbraw/zinc/40/61/99/573406199.db2.gz GTLDOCKRFOWMAE-CMPLNLGQSA-N 0 3 197.322 2.191 10 0 AEAEHN CCN[C@@H]1CCCc2scnc21 83117202 573407981 /nfs/dbraw/zinc/40/79/81/573407981.db2.gz BPKYAINTOCKJJL-SSDOTTSWSA-N 0 3 182.292 2.130 10 0 AEAEHN COC[C@@H](C)N[C@@H](C)c1occc1C 308577518 573411992 /nfs/dbraw/zinc/41/19/92/573411992.db2.gz DYWXLFWAUXJIFY-ZJUUUORDSA-N 0 3 197.278 2.274 10 0 AEAEHN COc1ccc([C@@H](F)[C@H](C)N)cc1 257811143 573412038 /nfs/dbraw/zinc/41/20/38/573412038.db2.gz AWPNUPXFVYFMGX-XVKPBYJWSA-N 0 3 183.226 2.053 10 0 AEAEHN CCCN[C@@H](C)c1ccncc1F 133583768 573412074 /nfs/dbraw/zinc/41/20/74/573412074.db2.gz QWDOFQXSOMIDNC-QMMMGPOBSA-N 0 3 182.242 2.281 10 0 AEAEHN CCCN[C@H](C)c1ccncc1F 133583973 573414800 /nfs/dbraw/zinc/41/48/00/573414800.db2.gz QWDOFQXSOMIDNC-MRVPVSSYSA-N 0 3 182.242 2.281 10 0 AEAEHN CC[C@H](C)Cn1nc(C)c(CN)c1C 50427195 573418635 /nfs/dbraw/zinc/41/86/35/573418635.db2.gz SSZAYJUKGVMOOI-QMMMGPOBSA-N 0 3 195.310 2.005 10 0 AEAEHN Cc1nc(C2CCC2)ncc1[C@@H](C)N 83136514 573418744 /nfs/dbraw/zinc/41/87/44/573418744.db2.gz QOPXKFRLWLLUMI-SSDOTTSWSA-N 0 3 191.278 2.072 10 0 AEAEHN CC[C@@H](C)Cn1nc(C)c(CN)c1C 50427193 573418910 /nfs/dbraw/zinc/41/89/10/573418910.db2.gz SSZAYJUKGVMOOI-MRVPVSSYSA-N 0 3 195.310 2.005 10 0 AEAEHN COc1cccc([C@H](F)[C@@H](C)N)c1 238392640 573429758 /nfs/dbraw/zinc/42/97/58/573429758.db2.gz BHPMGIWJUYLETA-GMSGAONNSA-N 0 3 183.226 2.053 10 0 AEAEHN C[C@@H](c1ccccc1N)N1CC=CC1 118881937 573436355 /nfs/dbraw/zinc/43/63/55/573436355.db2.gz GCQQRSZXZSEQLX-JTQLQIEISA-N 0 3 188.274 2.202 10 0 AEAEHN C=Cc1ccc2c(c1)[C@H](C)NC2 238396180 573436426 /nfs/dbraw/zinc/43/64/26/573436426.db2.gz KOXOGJVDDQEMOJ-QMMMGPOBSA-N 0 3 159.232 2.494 10 0 AEAEHN C=Cc1ccc2c(c1)CN[C@H]2C 238395943 573437131 /nfs/dbraw/zinc/43/71/31/573437131.db2.gz DTUHPADJMMWKLZ-QMMMGPOBSA-N 0 3 159.232 2.494 10 0 AEAEHN NC1([C@@H](F)c2cccc(O)c2)CCC1 257813371 573440352 /nfs/dbraw/zinc/44/03/52/573440352.db2.gz CEJBUWFGDPITBE-JTQLQIEISA-N 0 3 195.237 2.284 10 0 AEAEHN CCc1n[nH]c([C@H]2CCCCN2)c1C 107234780 573440419 /nfs/dbraw/zinc/44/04/19/573440419.db2.gz VVXSLVHUGABOFD-SNVBAGLBSA-N 0 3 193.294 2.095 10 0 AEAEHN CCCC[C@H](O)[C@@H](N)c1ccccc1 126223319 573440453 /nfs/dbraw/zinc/44/04/53/573440453.db2.gz QFKPUTLJMISMAP-RYUDHWBXSA-N 0 3 193.290 2.238 10 0 AEAEHN NC1([C@H](F)c2cccc(O)c2)CCC1 257813372 573443244 /nfs/dbraw/zinc/44/32/44/573443244.db2.gz CEJBUWFGDPITBE-SNVBAGLBSA-N 0 3 195.237 2.284 10 0 AEAEHN NCc1ccc(-c2ccc[nH]2)cc1F 236221100 573445712 /nfs/dbraw/zinc/44/57/12/573445712.db2.gz GLVOUUSLAWYYPO-UHFFFAOYSA-N 0 3 190.221 2.280 10 0 AEAEHN F[C@H]1CCN[C@@H](c2ccccc2)C1 107255783 573445788 /nfs/dbraw/zinc/44/57/88/573445788.db2.gz PEHSFZPHVJQCSN-WDEREUQCSA-N 0 3 179.238 2.449 10 0 AEAEHN CO[C@H](C)CN[C@H](C)c1occc1C 308586643 573445850 /nfs/dbraw/zinc/44/58/50/573445850.db2.gz IPXDQANSFKDMEV-NXEZZACHSA-N 0 3 197.278 2.274 10 0 AEAEHN CO[C@@H](C)CN[C@@H](C)c1occc1C 308586645 573446016 /nfs/dbraw/zinc/44/60/16/573446016.db2.gz IPXDQANSFKDMEV-UWVGGRQHSA-N 0 3 197.278 2.274 10 0 AEAEHN Cc1ccc([C@@H](CN)OC2CCC2)o1 50519455 573451757 /nfs/dbraw/zinc/45/17/57/573451757.db2.gz IYFAHPBQDCUINK-LLVKDONJSA-N 0 3 195.262 2.157 10 0 AEAEHN CN[C@@H](CCCCOC)c1ccco1 308589431 573451798 /nfs/dbraw/zinc/45/17/98/573451798.db2.gz NTQMSBOHXKGDMO-JTQLQIEISA-N 0 3 197.278 2.357 10 0 AEAEHN C[C@H](N)c1cc(F)cc2c1O[C@H](C)C2 259452091 573451809 /nfs/dbraw/zinc/45/18/09/573451809.db2.gz MAJBFUAIPLAXAV-RQJHMYQMSA-N 0 3 195.237 2.169 10 0 AEAEHN CC(=O)CC[C@H]1CC12CCN(C)CC2 213890984 571687191 /nfs/dbraw/zinc/68/71/91/571687191.db2.gz IQEZBQRVVSSALG-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN C[C@H](O)C[C@@H](c1ccccc1)N(C)C 308587500 573452150 /nfs/dbraw/zinc/45/21/50/573452150.db2.gz MZCUSPBLXSOEOZ-JQWIXIFHSA-N 0 3 193.290 2.060 10 0 AEAEHN CCN(Cc1[nH]cnc1C)CC(C)C 687715583 571688789 /nfs/dbraw/zinc/68/87/89/571688789.db2.gz IFFYRRZJSCOXER-UHFFFAOYSA-N 0 3 195.310 2.196 10 0 AEAEHN CC[C@@H](CO)N[C@H](C)c1occc1C 308590867 573454604 /nfs/dbraw/zinc/45/46/04/573454604.db2.gz KGVGGJFQTMSDNR-ZJUUUORDSA-N 0 3 197.278 2.010 10 0 AEAEHN [NH3+]Cc1cc([O-])c2ccc(F)cc2c1 257817243 573454630 /nfs/dbraw/zinc/45/46/30/573454630.db2.gz DSSFXGPOXYWGSX-UHFFFAOYSA-N 0 3 191.205 2.143 10 0 AEAEHN CN[C@H](CCCCOC)c1ccoc1 308591507 573455184 /nfs/dbraw/zinc/45/51/84/573455184.db2.gz PDYOADKKSWMENU-LLVKDONJSA-N 0 3 197.278 2.357 10 0 AEAEHN FCc1csc([C@H]2CCCN2)n1 107262957 573455243 /nfs/dbraw/zinc/45/52/43/573455243.db2.gz DWRZKPSQYXXIGA-SSDOTTSWSA-N 0 3 186.255 2.037 10 0 AEAEHN N[C@@H](CF)Cc1c[nH]c2ccccc12 107264123 573455317 /nfs/dbraw/zinc/45/53/17/573455317.db2.gz QPWRYWJSIKBFDZ-SECBINFHSA-N 0 3 192.237 2.007 10 0 AEAEHN C[C@@H](N)c1n[nH]cc1C1CCCCC1 257814100 573456969 /nfs/dbraw/zinc/45/69/69/573456969.db2.gz ALPYZHQQPZFUED-MRVPVSSYSA-N 0 3 193.294 2.477 10 0 AEAEHN CC(C)N(C)c1cccc(F)c1CN 86476357 573456978 /nfs/dbraw/zinc/45/69/78/573456978.db2.gz JWXUHFCPDOYTTD-UHFFFAOYSA-N 0 3 196.269 2.129 10 0 AEAEHN CNCc1cccnc1SC(C)C 234376313 571909176 /nfs/dbraw/zinc/90/91/76/571909176.db2.gz MMVGEDYXRYMHJL-UHFFFAOYSA-N 0 3 196.319 2.302 10 0 AEAEHN CC[C@@H](C)c1ccc([C@H](O)NC)cc1 259459413 573459429 /nfs/dbraw/zinc/45/94/29/573459429.db2.gz PMAQQTYHTIJNIF-SKDRFNHKSA-N 0 3 193.290 2.410 10 0 AEAEHN CC(C)[C@@H]1NCCOc2ccccc21 11802723 571954311 /nfs/dbraw/zinc/95/43/11/571954311.db2.gz MGSZKSNLPRCRBC-LBPRGKRZSA-N 0 3 191.274 2.366 10 0 AEAEHN CC(C)C[C@@H]1CSC(NC2CC2)=N1 40795229 571961510 /nfs/dbraw/zinc/96/15/10/571961510.db2.gz OPPYUFZJWPBHPB-SECBINFHSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)C(F)(F)C(C)(C)N 107272979 573460698 /nfs/dbraw/zinc/46/06/98/573460698.db2.gz BJSDBZHIMVASDW-UHFFFAOYSA-N 0 3 151.200 2.015 10 0 AEAEHN CC[C@@H](C)[C@@](C)(N)c1nccs1 41059945 571971226 /nfs/dbraw/zinc/97/12/26/571971226.db2.gz XGVKTDLFFBDQKO-VXNVDRBHSA-N 0 3 184.308 2.363 10 0 AEAEHN CC[C@H](C)[C@](C)(N)c1nccs1 41059944 571971246 /nfs/dbraw/zinc/97/12/46/571971246.db2.gz XGVKTDLFFBDQKO-CBAPKCEASA-N 0 3 184.308 2.363 10 0 AEAEHN CC(C)[C@]1(C)NCCC1(F)F 107273440 573465083 /nfs/dbraw/zinc/46/50/83/573465083.db2.gz UZBYZWZUJCXOQV-ZETCQYMHSA-N 0 3 163.211 2.030 10 0 AEAEHN CC[C@@H](NC)c1nc2c(s1)CCC2 41060830 571972245 /nfs/dbraw/zinc/97/22/45/571972245.db2.gz JHJSFUJRKHQIKW-SSDOTTSWSA-N 0 3 196.319 2.302 10 0 AEAEHN CC[C@@H](C)[C@](C)(N)c1nccs1 41059943 571973052 /nfs/dbraw/zinc/97/30/52/571973052.db2.gz XGVKTDLFFBDQKO-APPZFPTMSA-N 0 3 184.308 2.363 10 0 AEAEHN Fc1cccc([C@@H]2NCC[C@@H]2F)c1 107276014 573467054 /nfs/dbraw/zinc/46/70/54/573467054.db2.gz DNNKXVJUFYTKMY-UWVGGRQHSA-N 0 3 183.201 2.198 10 0 AEAEHN C[C@H](N)[C@H](F)c1ccccc1F 107275245 573467063 /nfs/dbraw/zinc/46/70/63/573467063.db2.gz NBPPTHVXJIOUQI-RCOVLWMOSA-N 0 3 171.190 2.184 10 0 AEAEHN CC(C)(C)CCCn1cc(CN)cn1 300833117 571978024 /nfs/dbraw/zinc/97/80/24/571978024.db2.gz IMNXIRIGVRQTLB-UHFFFAOYSA-N 0 3 195.310 2.168 10 0 AEAEHN CNc1nccn1C1CCCCC1 234491191 571988504 /nfs/dbraw/zinc/98/85/04/571988504.db2.gz RHPQVXOHLBMTBL-UHFFFAOYSA-N 0 3 179.267 2.430 10 0 AEAEHN CCCCSc1cccc(CN)n1 81596707 571989144 /nfs/dbraw/zinc/98/91/44/571989144.db2.gz MAMHCKFDAHARSI-UHFFFAOYSA-N 0 3 196.319 2.433 10 0 AEAEHN CCCSc1cccc(CN)n1 81596386 571989201 /nfs/dbraw/zinc/98/92/01/571989201.db2.gz IEZFYQBWHQFNFM-UHFFFAOYSA-N 0 3 182.292 2.042 10 0 AEAEHN CC[C@H](N[C@H]1CC[C@H]1C)c1ncc[nH]1 308596291 573479110 /nfs/dbraw/zinc/47/91/10/573479110.db2.gz MQTNJLKHUDSPBB-UTLUCORTSA-N 0 3 193.294 2.249 10 0 AEAEHN CC(C)N(CC(=O)C1CC1)CC1CC1 68895091 572000718 /nfs/dbraw/zinc/00/07/18/572000718.db2.gz MPTNIEHSHKRPQK-UHFFFAOYSA-N 0 3 195.306 2.086 10 0 AEAEHN CCC(C)(C)N(C)[C@H](C)C(C)=O 69000180 572018492 /nfs/dbraw/zinc/01/84/92/572018492.db2.gz JPRAZCBWHSOLFR-MRVPVSSYSA-N 0 3 171.284 2.084 10 0 AEAEHN CCCN(C)Cc1cc(F)ccc1N 35308520 572021494 /nfs/dbraw/zinc/02/14/94/572021494.db2.gz LOOVWSUDCJPJKE-UHFFFAOYSA-N 0 3 196.269 2.250 10 0 AEAEHN CCc1ccnc([C@@H]2CCCCN2)c1 259106684 573485179 /nfs/dbraw/zinc/48/51/79/573485179.db2.gz FAEHVTXGDMCURK-NSHDSACASA-N 0 3 190.290 2.459 10 0 AEAEHN CCC[C@H](C)CN[C@@H](C)c1cc[nH]n1 308597051 573485217 /nfs/dbraw/zinc/48/52/17/573485217.db2.gz MYQIUGYKGLCWBU-UWVGGRQHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCC[C@@H](NC)c1ccnn1CCC 69025599 572026651 /nfs/dbraw/zinc/02/66/51/572026651.db2.gz FLWPJWLESBGZOU-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CCC[C@@H](N)c1ccnn1CCC 69025176 572026671 /nfs/dbraw/zinc/02/66/71/572026671.db2.gz ZSJKCIVAKHGWMD-SECBINFHSA-N 0 3 181.283 2.093 10 0 AEAEHN CCCn1nccc1[C@H](N)[C@@H](C)CC 69026424 572026687 /nfs/dbraw/zinc/02/66/87/572026687.db2.gz RAMYFVLMWFOHNK-GXSJLCMTSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@H](N)c1ccnn1CCC 69025171 572026734 /nfs/dbraw/zinc/02/67/34/572026734.db2.gz ZSJKCIVAKHGWMD-VIFPVBQESA-N 0 3 181.283 2.093 10 0 AEAEHN CCCn1nccc1[C@@H](N)[C@@H](C)CC 69026429 572026752 /nfs/dbraw/zinc/02/67/52/572026752.db2.gz RAMYFVLMWFOHNK-ONGXEEELSA-N 0 3 195.310 2.339 10 0 AEAEHN CCn1nccc1[C@H](N)CCC(C)C 69026044 572026773 /nfs/dbraw/zinc/02/67/73/572026773.db2.gz WIOUYBFSUJSUIC-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CCCn1nccc1[C@@H](N)[C@H](C)CC 69026442 572026779 /nfs/dbraw/zinc/02/67/79/572026779.db2.gz RAMYFVLMWFOHNK-KOLCDFICSA-N 0 3 195.310 2.339 10 0 AEAEHN CCNCC(=O)C[C@H](C)CC(C)C 300896204 572028334 /nfs/dbraw/zinc/02/83/34/572028334.db2.gz KLEHENGBYQJYRT-SNVBAGLBSA-N 0 3 185.311 2.237 10 0 AEAEHN CC[C@H](C)[C@H](C)NC1=NCCS1 42557878 572036421 /nfs/dbraw/zinc/03/64/21/572036421.db2.gz DQARHKBBNJNCAC-YUMQZZPRSA-N 0 3 186.324 2.113 10 0 AEAEHN CCCCC[C@H](N)c1cc(C)n(C)n1 300902108 572036603 /nfs/dbraw/zinc/03/66/03/572036603.db2.gz NTYGNMTWSRIHOA-JTQLQIEISA-N 0 3 195.310 2.309 10 0 AEAEHN CCCC(=O)CN(C)CC1CCCC1 82492566 572041510 /nfs/dbraw/zinc/04/15/10/572041510.db2.gz WBRPHHDFXVPIFP-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CC(=N)Nc1ccccc1F 33891347 572041512 /nfs/dbraw/zinc/04/15/12/572041512.db2.gz GJFYEWVFFROKKM-UHFFFAOYSA-N 0 3 152.172 2.235 10 0 AEAEHN CCCCNCc1cccc(N)c1F 308593694 573492998 /nfs/dbraw/zinc/49/29/98/573492998.db2.gz XCNBXQSKVDDVHG-UHFFFAOYSA-N 0 3 196.269 2.298 10 0 AEAEHN CC[C@@H](C)Oc1ccc(F)cc1CN 82516633 572045123 /nfs/dbraw/zinc/04/51/23/572045123.db2.gz KMQAYFRWPKXYMA-MRVPVSSYSA-N 0 3 197.253 2.462 10 0 AEAEHN CN[C@H](c1ccoc1C)[C@@H](C)COC 687706259 572055138 /nfs/dbraw/zinc/05/51/38/572055138.db2.gz LQUWYURYUDKEMK-KWQFWETISA-N 0 3 197.278 2.131 10 0 AEAEHN C[C@H]1C[C@H]1CN(C)[C@@H]1CCCCC1=O 82649128 572071861 /nfs/dbraw/zinc/07/18/61/572071861.db2.gz JFDJXEFGYOCALV-GARJFASQSA-N 0 3 195.306 2.086 10 0 AEAEHN NCc1n[nH]cc1C1CCCCCC1 257821452 573493841 /nfs/dbraw/zinc/49/38/41/573493841.db2.gz DVXPVFPXIGHYET-UHFFFAOYSA-N 0 3 193.294 2.306 10 0 AEAEHN CCCN(CC)[C@@H]1CCCCC1=O 37334883 572111591 /nfs/dbraw/zinc/11/15/91/572111591.db2.gz HEYWVCMIKUDOBQ-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCN(CC)[C@H]1CCCCC1=O 37334885 572111732 /nfs/dbraw/zinc/11/17/32/572111732.db2.gz HEYWVCMIKUDOBQ-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CC[C@@H](C)N(CC)[C@@H]1CCCC1=O 37336514 572111741 /nfs/dbraw/zinc/11/17/41/572111741.db2.gz FYAHPZWGHUMOFP-NXEZZACHSA-N 0 3 183.295 2.228 10 0 AEAEHN Cc1c(F)cccc1NCCN(C)C 43321136 572129677 /nfs/dbraw/zinc/12/96/77/572129677.db2.gz CLNFASWQRWMNSW-UHFFFAOYSA-N 0 3 196.269 2.108 10 0 AEAEHN CCC[C@@H](C)C[C@@H](N)c1ccncn1 69639319 572129683 /nfs/dbraw/zinc/12/96/83/572129683.db2.gz UTFJKLMVUHVIOK-NXEZZACHSA-N 0 3 193.294 2.303 10 0 AEAEHN CC[C@H](C)n1ccc(CNC(C)C)n1 82867296 572161243 /nfs/dbraw/zinc/16/12/43/572161243.db2.gz OKNYRFHRTXJBCB-JTQLQIEISA-N 0 3 195.310 2.352 10 0 AEAEHN CCCNCc1ccn([C@H](C)CC)n1 82867357 572161254 /nfs/dbraw/zinc/16/12/54/572161254.db2.gz DJPNOKPIXRBVMM-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN Cc1ccc2c(c1)[C@H](NC1CC1)CO2 35652658 572181348 /nfs/dbraw/zinc/18/13/48/572181348.db2.gz LLOLLPYKLNRFJI-LLVKDONJSA-N 0 3 189.258 2.181 10 0 AEAEHN CCC[C@@H](C)N(C)[C@@H](C)C(=O)CC 82946876 572181384 /nfs/dbraw/zinc/18/13/84/572181384.db2.gz PNDIQLAAAYSIES-ZJUUUORDSA-N 0 3 185.311 2.474 10 0 AEAEHN N[C@@H]1COc2c1ccc1ccccc21 35652745 572181385 /nfs/dbraw/zinc/18/13/85/572181385.db2.gz AGJATLOELKVYBB-LLVKDONJSA-N 0 3 185.226 2.232 10 0 AEAEHN C[C@H]1NC[C@H](c2cccc(Cl)c2)O1 71507618 572181404 /nfs/dbraw/zinc/18/14/04/572181404.db2.gz YXVCLYYVIZZIGS-OIBJUYFYSA-N 0 3 197.665 2.347 10 0 AEAEHN Cc1cccc2c1OC[C@H]2NC1CC1 35652689 572181431 /nfs/dbraw/zinc/18/14/31/572181431.db2.gz CMFOUBHWVOBZCS-LLVKDONJSA-N 0 3 189.258 2.181 10 0 AEAEHN CC(C)N[C@@H]1COc2c(F)cccc21 35652602 572181438 /nfs/dbraw/zinc/18/14/38/572181438.db2.gz MPGUWQDQGYHOFK-SNVBAGLBSA-N 0 3 195.237 2.257 10 0 AEAEHN CO[C@H](C)[C@H](N)c1csc(C)c1 86575774 573495264 /nfs/dbraw/zinc/49/52/64/573495264.db2.gz DAUTWWMKGZWTCQ-APPZFPTMSA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cc(C)ccc1C 86576693 573498325 /nfs/dbraw/zinc/49/83/25/573498325.db2.gz WXOUPDWPUHHMDS-CMPLNLGQSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cccc(C)c1C 86576735 573499281 /nfs/dbraw/zinc/49/92/81/573499281.db2.gz YDHVRCAMLQWQJA-CMPLNLGQSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cc(F)ccc1C 86576785 573499387 /nfs/dbraw/zinc/49/93/87/573499387.db2.gz ADBSRMADPGJDKE-GZMMTYOYSA-N 0 3 197.253 2.169 10 0 AEAEHN CCOC[C@H](NC)c1sccc1C 87022174 572346775 /nfs/dbraw/zinc/34/67/75/572346775.db2.gz BJONHGUMOZSBII-VIFPVBQESA-N 0 3 199.319 2.354 10 0 AEAEHN CNC[C@@H](F)c1cc(F)ccc1F 257822250 573506505 /nfs/dbraw/zinc/50/65/05/573506505.db2.gz FFSHOLAJCALCKD-SECBINFHSA-N 0 3 189.180 2.195 10 0 AEAEHN C[C@@]1(F)CCN(CCCCF)C1 308008734 572395353 /nfs/dbraw/zinc/39/53/53/572395353.db2.gz FFWAISSWSKGBDC-SECBINFHSA-N 0 3 177.238 2.170 10 0 AEAEHN CCCNCc1c[nH]c([C@@H]2C[C@@H]2C)n1 83810696 572414817 /nfs/dbraw/zinc/41/48/17/572414817.db2.gz PASUOWOXJCISKV-WCBMZHEXSA-N 0 3 193.294 2.033 10 0 AEAEHN CCC[C@H](C)C[C@@H](N)c1ncc[nH]1 87340876 572418760 /nfs/dbraw/zinc/41/87/60/572418760.db2.gz KVTWSZWCXGOQHY-DTWKUNHWSA-N 0 3 181.283 2.236 10 0 AEAEHN CS[C@@H](C)CNC/C=C/Cl 235042721 572438124 /nfs/dbraw/zinc/43/81/24/572438124.db2.gz RNHOQQSIHVBKRG-SDLBARTOSA-N 0 3 179.716 2.080 10 0 AEAEHN Cc1cn(-c2ccccc2C)c(N)n1 235919017 572441280 /nfs/dbraw/zinc/44/12/80/572441280.db2.gz KRLIBAQVJGUMFZ-UHFFFAOYSA-N 0 3 187.246 2.071 10 0 AEAEHN c1nc(C2CCCC2)n2c1NCCC2 258724673 573512468 /nfs/dbraw/zinc/51/24/68/573512468.db2.gz OKILLFLSHHRILR-UHFFFAOYSA-N 0 3 191.278 2.356 10 0 AEAEHN CCC(=O)CN1CC[C@H](CC(C)C)C1 307780764 572505453 /nfs/dbraw/zinc/50/54/53/572505453.db2.gz KQJMUJKZGAVECO-LLVKDONJSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1cccc([C@H](N)[C@@H](C)O)c1Cl 238422881 573513260 /nfs/dbraw/zinc/51/32/60/573513260.db2.gz MRISUIQYMQDRJU-GMSGAONNSA-N 0 3 199.681 2.029 10 0 AEAEHN C[C@@H]1NCC(C)(C)O[C@H]1c1ccco1 83459980 573513813 /nfs/dbraw/zinc/51/38/13/573513813.db2.gz QUKIOSLXPRRZSS-WCBMZHEXSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H]1NCC(C)(C)O[C@H]1c1ccco1 83459979 573513907 /nfs/dbraw/zinc/51/39/07/573513907.db2.gz QUKIOSLXPRRZSS-PSASIEDQSA-N 0 3 195.262 2.108 10 0 AEAEHN NCc1cncc([C@@H]2CCCS2)c1 258050747 573513918 /nfs/dbraw/zinc/51/39/18/573513918.db2.gz KBJXFBQKQQOSPA-JTQLQIEISA-N 0 3 194.303 2.108 10 0 AEAEHN Cc1ccc2c(C3(N)CC3)onc2c1 257821875 573513962 /nfs/dbraw/zinc/51/39/62/573513962.db2.gz GBEALHZTXVSRBZ-UHFFFAOYSA-N 0 3 188.230 2.084 10 0 AEAEHN C[NH2+]CC[C@](C)(F)c1ccccc1[O-] 257821978 573514017 /nfs/dbraw/zinc/51/40/17/573514017.db2.gz GFRNXZBXYQBBGS-NSHDSACASA-N 0 3 197.253 2.186 10 0 AEAEHN CC[C@@]1(C)CNC[C@@H](c2ccco2)O1 83460131 573514076 /nfs/dbraw/zinc/51/40/76/573514076.db2.gz HWOORGIONHIMRS-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cc(C)cnc1N 69943108 572615649 /nfs/dbraw/zinc/61/56/49/572615649.db2.gz PRBYZIMTEGQQEO-WCBMZHEXSA-N 0 3 193.294 2.018 10 0 AEAEHN C[C@@H]1C(=O)CCN(CC2(C)CC2)[C@@H]1C 235287251 572662651 /nfs/dbraw/zinc/66/26/51/572662651.db2.gz ICGXVKFCEFQUSX-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@H]1CNC[C@](C)(CC(C)C)O1 83472215 573530671 /nfs/dbraw/zinc/53/06/71/573530671.db2.gz QBPULEPIOVJIOC-QWRGUYRKSA-N 0 3 185.311 2.190 10 0 AEAEHN CN[C@H](OC)c1c[nH]c2ccccc12 259111392 573531451 /nfs/dbraw/zinc/53/14/51/573531451.db2.gz FSDHCCSIMPOWIT-LLVKDONJSA-N 0 3 190.246 2.032 10 0 AEAEHN Cc1cc(Cl)c([C@H](C)N)cn1 238434961 573541500 /nfs/dbraw/zinc/54/15/00/573541500.db2.gz UHYCLZYNDXKVJC-LURJTMIESA-N 0 3 170.643 2.063 10 0 AEAEHN CC[C@@H](C)NC1=NC[C@@H](C2CC2)S1 70887095 572754284 /nfs/dbraw/zinc/75/42/84/572754284.db2.gz BWRSYYZHUIFMPN-APPZFPTMSA-N 0 3 198.335 2.256 10 0 AEAEHN Nc1cccc(F)c1CN1CCCC1 70961433 572760234 /nfs/dbraw/zinc/76/02/34/572760234.db2.gz FOJITANUUSXVHC-UHFFFAOYSA-N 0 3 194.253 2.004 10 0 AEAEHN CCCCCn1cccc1CN 85581278 572767203 /nfs/dbraw/zinc/76/72/03/572767203.db2.gz XVTYWWHOGYBTJV-UHFFFAOYSA-N 0 3 166.268 2.137 10 0 AEAEHN CCC[C@@H](N)c1ccncc1F 83574338 573556913 /nfs/dbraw/zinc/55/69/13/573556913.db2.gz LKFRKBCLSVJZGD-SECBINFHSA-N 0 3 168.215 2.021 10 0 AEAEHN CCC[C@@H](NCc1cc[nH]n1)C1CC1 126526665 573557212 /nfs/dbraw/zinc/55/72/12/573557212.db2.gz SQALQVUSCJRDON-LLVKDONJSA-N 0 3 193.294 2.078 10 0 AEAEHN COc1ccccc1[C@@H](F)[C@@H](C)N 257831058 573559686 /nfs/dbraw/zinc/55/96/86/573559686.db2.gz JKNFUFRSLDOYLC-XCBNKYQSSA-N 0 3 183.226 2.053 10 0 AEAEHN Cc1cc2c(cn1)[C@H](N)c1ccccc1-2 238527353 572782944 /nfs/dbraw/zinc/78/29/44/572782944.db2.gz RGTSRIWXKBDHSM-CYBMUJFWSA-N 0 3 196.253 2.419 10 0 AEAEHN Cc1ccnc2c1[C@@H](N)c1ccccc1-2 238547917 572785562 /nfs/dbraw/zinc/78/55/62/572785562.db2.gz GAKZUQOQFQABPV-LBPRGKRZSA-N 0 3 196.253 2.419 10 0 AEAEHN Cn1ccc([C@@H](N)C2CCCCC2)n1 83573576 573561233 /nfs/dbraw/zinc/56/12/33/573561233.db2.gz LYXJECCHZOOSHX-NSHDSACASA-N 0 3 193.294 2.000 10 0 AEAEHN NC1(c2cc(Cl)ccn2)CCC1 75086073 572807762 /nfs/dbraw/zinc/80/77/62/572807762.db2.gz AVCGAEUKJDEMAL-UHFFFAOYSA-N 0 3 182.654 2.073 10 0 AEAEHN N[C@@H](CC1CC1)c1ncccc1F 83574320 573561361 /nfs/dbraw/zinc/56/13/61/573561361.db2.gz JNOWMDMLPSZBEI-VIFPVBQESA-N 0 3 180.226 2.021 10 0 AEAEHN CC[C@@](C)(N)C(=O)[C@H](C)CC(C)C 308135926 572817715 /nfs/dbraw/zinc/81/77/15/572817715.db2.gz IEEMCQOLXUEXRO-MWLCHTKSSA-N 0 3 185.311 2.365 10 0 AEAEHN CC1(C)NCCO[C@@H]1c1cccs1 71507557 572839763 /nfs/dbraw/zinc/83/97/63/572839763.db2.gz PJONKDZOUZLKAW-SECBINFHSA-N 0 3 197.303 2.188 10 0 AEAEHN Cc1ccccc1[C@H]1CNC(C)(C)O1 71505793 572839820 /nfs/dbraw/zinc/83/98/20/572839820.db2.gz REDPENVXYDJTPF-LLVKDONJSA-N 0 3 191.274 2.392 10 0 AEAEHN CC1(C)NCCO[C@H]1c1cccs1 71507556 572839848 /nfs/dbraw/zinc/83/98/48/572839848.db2.gz PJONKDZOUZLKAW-VIFPVBQESA-N 0 3 197.303 2.188 10 0 AEAEHN Cc1csc(N)c1[C@@H](N)C1CC1 713760840 572828012 /nfs/dbraw/zinc/82/80/12/572828012.db2.gz RCPIVCORFXESDB-QMMMGPOBSA-N 0 3 182.292 2.049 10 0 AEAEHN CC1(C)NC[C@@H](c2cccs2)O1 71499398 572835850 /nfs/dbraw/zinc/83/58/50/572835850.db2.gz VFXYOVMPHZCCJZ-ZETCQYMHSA-N 0 3 183.276 2.145 10 0 AEAEHN COc1ccccc1[C@H](F)[C@H](C)N 257831057 573561771 /nfs/dbraw/zinc/56/17/71/573561771.db2.gz JKNFUFRSLDOYLC-OIBJUYFYSA-N 0 3 183.226 2.053 10 0 AEAEHN CC1(C)NC[C@@H](c2ccccc2F)O1 71507010 572839715 /nfs/dbraw/zinc/83/97/15/572839715.db2.gz YSZSUATWDOGXQL-JTQLQIEISA-N 0 3 195.237 2.223 10 0 AEAEHN COc1ccc([C@@H](F)C2(N)CC2)cc1 257831478 573562802 /nfs/dbraw/zinc/56/28/02/573562802.db2.gz JKNCQJSKNNABKK-SNVBAGLBSA-N 0 3 195.237 2.197 10 0 AEAEHN c1ccc2c(c1)CN1C[C@@H]3C[C@@H]3[C@@H]21 257831402 573562974 /nfs/dbraw/zinc/56/29/74/573562974.db2.gz JPYIRACNWAUDPJ-ZMLRMANQSA-N 0 3 171.243 2.193 10 0 AEAEHN CC[C@H](C)Nc1ccc(F)c(CN)c1 86682056 573568221 /nfs/dbraw/zinc/56/82/21/573568221.db2.gz DZJSEMHLEREPGH-QMMMGPOBSA-N 0 3 196.269 2.495 10 0 AEAEHN C[C@H]1C[C@@]1(N)c1ccc2ccccc2n1 86199171 572890173 /nfs/dbraw/zinc/89/01/73/572890173.db2.gz YOALYXRXUZCDNJ-ZANVPECISA-N 0 3 198.269 2.429 10 0 AEAEHN C[C@@H]1C[C@]1(N)c1nccc2ccccc12 86199083 572890191 /nfs/dbraw/zinc/89/01/91/572890191.db2.gz XPQKSHMJEGJKES-NOZJJQNGSA-N 0 3 198.269 2.429 10 0 AEAEHN CCCC[C@H](NC)c1cnccc1N 86315215 572915454 /nfs/dbraw/zinc/91/54/54/572915454.db2.gz CMVPEQRHLNJSLZ-NSHDSACASA-N 0 3 193.294 2.115 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1cccc(OC)c1 257831960 573569590 /nfs/dbraw/zinc/56/95/90/573569590.db2.gz JQAATLKASBQVQJ-KWQFWETISA-N 0 3 197.253 2.314 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1cccc(OC)c1 257831962 573569672 /nfs/dbraw/zinc/56/96/72/573569672.db2.gz JQAATLKASBQVQJ-LDYMZIIASA-N 0 3 197.253 2.314 10 0 AEAEHN c1cc2c(o1)[C@H](NC1CC1)CC2 107401362 573569707 /nfs/dbraw/zinc/56/97/07/573569707.db2.gz YQTNVFAPVVQIQT-SECBINFHSA-N 0 3 163.220 2.019 10 0 AEAEHN CC[C@H](C)[C@H](C)C[C@H]1COCCN1 308178203 572903641 /nfs/dbraw/zinc/90/36/41/572903641.db2.gz BIDBJNNUXKZITR-AXFHLTTASA-N 0 3 185.311 2.047 10 0 AEAEHN CC(C)C(=O)CN(C)CC(C)(C)C 86276459 572903699 /nfs/dbraw/zinc/90/36/99/572903699.db2.gz ZCARGLXFJRBRJZ-UHFFFAOYSA-N 0 3 185.311 2.189 10 0 AEAEHN CC(C)C(=O)CN(C)[C@H](C)C(C)C 86276345 572903723 /nfs/dbraw/zinc/90/37/23/572903723.db2.gz QICKYYWPNMPIPR-SNVBAGLBSA-N 0 3 185.311 2.188 10 0 AEAEHN CCC[C@H](C)N(C)CC(=O)C(C)C 86276349 572903792 /nfs/dbraw/zinc/90/37/92/572903792.db2.gz FQMWDBFTRVUHKX-JTQLQIEISA-N 0 3 185.311 2.332 10 0 AEAEHN CCC1(CC)NCCC1(F)F 257832564 573573147 /nfs/dbraw/zinc/57/31/47/573573147.db2.gz AANZQCVXBYBVKX-UHFFFAOYSA-N 0 3 163.211 2.174 10 0 AEAEHN c1ccc(-c2ccc3c(c2)CNC3)nc1 238042712 572917137 /nfs/dbraw/zinc/91/71/37/572917137.db2.gz WVOGEIRGMLSKHG-UHFFFAOYSA-N 0 3 196.253 2.352 10 0 AEAEHN CCCC[C@@H](NC)c1ccnn1CC 86315138 572917149 /nfs/dbraw/zinc/91/71/49/572917149.db2.gz UGWYVHQBFLLOCY-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CCCC[C@H](NC)c1nccn1CC 86315175 572917208 /nfs/dbraw/zinc/91/72/08/572917208.db2.gz NJDBBHPAOZTLSF-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCCCc1nc([C@@H](C)NC)c[nH]1 308189263 572917252 /nfs/dbraw/zinc/91/72/52/572917252.db2.gz MJBNPOSZBPXQDX-MRVPVSSYSA-N 0 3 181.283 2.033 10 0 AEAEHN CC(C)C[C@H](C)C(=O)CCN(C)C 308196127 572937907 /nfs/dbraw/zinc/93/79/07/572937907.db2.gz RBGDACGDRJZMGF-JTQLQIEISA-N 0 3 185.311 2.189 10 0 AEAEHN CC(C)c1ccc2c(c1)C(=O)C[C@H]2N 57936684 572937930 /nfs/dbraw/zinc/93/79/30/572937930.db2.gz LXGRSZOJMBTHDS-LLVKDONJSA-N 0 3 189.258 2.396 10 0 AEAEHN CCCSCc1nc([C@@H](C)N)c[nH]1 308201008 572930021 /nfs/dbraw/zinc/93/00/21/572930021.db2.gz VDZFVAIDZQRZNM-SSDOTTSWSA-N 0 3 199.323 2.073 10 0 AEAEHN N[C@@H](CC1CC1)c1ccc(CO)s1 713785655 572940214 /nfs/dbraw/zinc/94/02/14/572940214.db2.gz CJDOVZFUBXUJTL-VIFPVBQESA-N 0 3 197.303 2.040 10 0 AEAEHN CC1CN([C@H](C)c2ccc(N)cc2)C1 86687816 573576820 /nfs/dbraw/zinc/57/68/20/573576820.db2.gz ILNPZRUBWFDZPN-SNVBAGLBSA-N 0 3 190.290 2.282 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cc(C)cc(F)c1 86693727 573576838 /nfs/dbraw/zinc/57/68/38/573576838.db2.gz MUHRWEXULQENMS-LDYMZIIASA-N 0 3 197.253 2.169 10 0 AEAEHN Cc1nc(C(C)(C)N)[nH]c1CC(C)C 258800389 573585590 /nfs/dbraw/zinc/58/55/90/573585590.db2.gz WSSLJERANSJFGW-UHFFFAOYSA-N 0 3 195.310 2.110 10 0 AEAEHN Cc1[nH]c(C(C)(C)N)nc1CC(C)C 258800389 573585598 /nfs/dbraw/zinc/58/55/98/573585598.db2.gz WSSLJERANSJFGW-UHFFFAOYSA-N 0 3 195.310 2.110 10 0 AEAEHN CC[C@@H](C)Oc1cc(C)ncc1CN 88116019 572966646 /nfs/dbraw/zinc/96/66/46/572966646.db2.gz LMZPHDBXXFTHPV-SECBINFHSA-N 0 3 194.278 2.026 10 0 AEAEHN CCC(C)(C)Oc1ccncc1CN 88115895 572966649 /nfs/dbraw/zinc/96/66/49/572966649.db2.gz OESSRSUDBHPUQW-UHFFFAOYSA-N 0 3 194.278 2.108 10 0 AEAEHN CCCCCCNc1cccc(=O)[nH]1 238190188 572977008 /nfs/dbraw/zinc/97/70/08/572977008.db2.gz UEWMZYSNCAYNQA-UHFFFAOYSA-N 0 3 194.278 2.367 10 0 AEAEHN CNCc1cc2c(C)cccc2o1 257918248 572999898 /nfs/dbraw/zinc/99/98/98/572999898.db2.gz QWQTYZHFKYNTJM-UHFFFAOYSA-N 0 3 175.231 2.461 10 0 AEAEHN CC(C)(N)[C@H](F)c1cccc(O)c1 257918555 572999931 /nfs/dbraw/zinc/99/99/31/572999931.db2.gz RFICRVLJIQJSCG-SECBINFHSA-N 0 3 183.226 2.140 10 0 AEAEHN CCC[C@H](N)c1c(N)ccnc1Cl 238242377 573000010 /nfs/dbraw/zinc/00/00/10/573000010.db2.gz SKQRGXDPTBZIAL-LURJTMIESA-N 0 3 199.685 2.117 10 0 AEAEHN CC(C)(N)[C@@H](F)c1cccc(O)c1 257919451 573000053 /nfs/dbraw/zinc/00/00/53/573000053.db2.gz RFICRVLJIQJSCG-VIFPVBQESA-N 0 3 183.226 2.140 10 0 AEAEHN CCC[C@@H](C)[C@@H](N)c1ccnc(C)n1 233288808 573000066 /nfs/dbraw/zinc/00/00/66/573000066.db2.gz AORYSFXFWVPIKJ-LDYMZIIASA-N 0 3 193.294 2.221 10 0 AEAEHN Cc1ccc(F)c2c1C(=O)C(C)O2 113295334 573000139 /nfs/dbraw/zinc/00/01/39/573000139.db2.gz PMCGKLOGUGWQLK-ZCFIWIBFSA-N 0 3 180.178 2.098 10 0 AEAEHN CN(Cc1ccc[nH]1)CC1CCC1 308405030 573587202 /nfs/dbraw/zinc/58/72/02/573587202.db2.gz JGEGGVFONYFDQB-UHFFFAOYSA-N 0 3 178.279 2.247 10 0 AEAEHN O=C1CCN[C@@H](C2CCCCCC2)C1 258219060 573010198 /nfs/dbraw/zinc/01/01/98/573010198.db2.gz YHCMTOGVZXTVQW-GFCCVEGCSA-N 0 3 195.306 2.278 10 0 AEAEHN C=C=C[C@@H](N)c1ccccc1 104558266 573014182 /nfs/dbraw/zinc/01/41/82/573014182.db2.gz TWSCZIJOLDJJQC-SNVBAGLBSA-N 0 3 145.205 2.028 10 0 AEAEHN COc1ccc([C@@H](F)[C@@H]2CCN2)cc1 257833675 573588249 /nfs/dbraw/zinc/58/82/49/573588249.db2.gz KBQGARCOAOJZER-WDEREUQCSA-N 0 3 195.237 2.068 10 0 AEAEHN CC1Oc2cc(Cl)ccc2C1=O 107415461 573588285 /nfs/dbraw/zinc/58/82/85/573588285.db2.gz CRUBHOKQBMYCAP-YFKPBYRVSA-N 0 3 182.606 2.304 10 0 AEAEHN CN[C@H]1c2ccccc2OCC12CC2 107419611 573588205 /nfs/dbraw/zinc/58/82/05/573588205.db2.gz OBVZZZUQTUVYOG-NSHDSACASA-N 0 3 189.258 2.120 10 0 AEAEHN CCC[C@H](NCc1ccon1)C1CC1 126641539 573591353 /nfs/dbraw/zinc/59/13/53/573591353.db2.gz PWNPHSXXUSQZAL-NSHDSACASA-N 0 3 194.278 2.343 10 0 AEAEHN Cc1nc([C@@H](N)CC(C)C)cs1 82392994 573024699 /nfs/dbraw/zinc/02/46/99/573024699.db2.gz FJZZCQQECPWZCQ-QMMMGPOBSA-N 0 3 184.308 2.497 10 0 AEAEHN CC1=C[C@H](N)c2ccccc2N1C 113685102 573024737 /nfs/dbraw/zinc/02/47/37/573024737.db2.gz DTMSHWHGEALQPM-JTQLQIEISA-N 0 3 174.247 2.040 10 0 AEAEHN CN[C@@H]1c2c(F)ccc(F)c2C[C@@H]1C 86718932 573591386 /nfs/dbraw/zinc/59/13/86/573591386.db2.gz DNGFGJHUMBPWGY-KGFZYKRKSA-N 0 3 197.228 2.418 10 0 AEAEHN CCCCC[C@H](N)c1c(C)cnn1C 308477057 573027381 /nfs/dbraw/zinc/02/73/81/573027381.db2.gz LLELUPWVLFTWAY-JTQLQIEISA-N 0 3 195.310 2.309 10 0 AEAEHN CCOC1=CCc2ccccc2[C@@H]1N 238256754 573028600 /nfs/dbraw/zinc/02/86/00/573028600.db2.gz UMTIQCIBFNFGFZ-LBPRGKRZSA-N 0 3 189.258 2.163 10 0 AEAEHN CCc1cccc(F)c1[C@@H]1CCN1 104578010 573028669 /nfs/dbraw/zinc/02/86/69/573028669.db2.gz LEZHAUPHFZSWPZ-JTQLQIEISA-N 0 3 179.238 2.423 10 0 AEAEHN CCC(CC)[C@H](N)c1cnc(C)n1C 308477172 573028767 /nfs/dbraw/zinc/02/87/67/573028767.db2.gz LNQQDHRSQOQYHC-NSHDSACASA-N 0 3 195.310 2.165 10 0 AEAEHN CCC[C@H](N)c1cccc(F)c1N 104577622 573029848 /nfs/dbraw/zinc/02/98/48/573029848.db2.gz FUQWKPDVVZTTKM-VIFPVBQESA-N 0 3 182.242 2.208 10 0 AEAEHN CCCC[C@@H](C)C[C@@H]1COCCN1 308232695 573035293 /nfs/dbraw/zinc/03/52/93/573035293.db2.gz UJEDTFHYZPIYSK-GHMZBOCLSA-N 0 3 185.311 2.191 10 0 AEAEHN CC(=O)[C@@H](C)N1CCCC(C)(C)CC1 83680766 573592040 /nfs/dbraw/zinc/59/20/40/573592040.db2.gz PHEGMENWZQXAOF-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC[C@H]1CC[C@@]2(C)NCCN2C1 238250286 573038314 /nfs/dbraw/zinc/03/83/14/573038314.db2.gz WKYCDHSHLIJNJA-RYUDHWBXSA-N 0 3 196.338 2.208 10 0 AEAEHN CCC(CC)Cn1nccc1CNC 128584298 573051639 /nfs/dbraw/zinc/05/16/39/573051639.db2.gz ROZLOUXXMLGVRD-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CC[C@@H](N)c1cc(F)cs1 238274505 573058310 /nfs/dbraw/zinc/05/83/10/573058310.db2.gz IVKUQEPLCFVQGT-ZCFIWIBFSA-N 0 3 159.229 2.297 10 0 AEAEHN C[NH2+]CC[C@@H](F)c1ccccc1[O-] 257938634 573058329 /nfs/dbraw/zinc/05/83/29/573058329.db2.gz UNYKEEZXOJOGSZ-SECBINFHSA-N 0 3 183.226 2.012 10 0 AEAEHN Cc1ccc(-c2nc([C@H](C)N)co2)o1 257940265 573063451 /nfs/dbraw/zinc/06/34/51/573063451.db2.gz FIDUQQZPYOVACQ-ZETCQYMHSA-N 0 3 192.218 2.263 10 0 AEAEHN CC(C)C[C@@H](C)C(=O)CNCC1CC1 308495031 573069140 /nfs/dbraw/zinc/06/91/40/573069140.db2.gz SNXFPIGTRRXEMN-SNVBAGLBSA-N 0 3 197.322 2.237 10 0 AEAEHN CC[C@@H](N)c1c(N)cccc1Cl 238268903 573072295 /nfs/dbraw/zinc/07/22/95/573072295.db2.gz VTRJIMWTFVLVJP-SSDOTTSWSA-N 0 3 184.670 2.332 10 0 AEAEHN CCO[C@H]1c2ccccc2CN[C@@H]1C 238269486 573080168 /nfs/dbraw/zinc/08/01/68/573080168.db2.gz HHOUZRYNHRLTCM-BXKDBHETSA-N 0 3 191.274 2.256 10 0 AEAEHN CCCCCC[C@H](O)CN1CCC1 308491418 573081179 /nfs/dbraw/zinc/08/11/79/573081179.db2.gz RHPWOOLCKPRPQN-NSHDSACASA-N 0 3 185.311 2.023 10 0 AEAEHN C[C@@H]1CC(C)(C)CC[C@]12CNCCO2 88133409 573081241 /nfs/dbraw/zinc/08/12/41/573081241.db2.gz WXZBQYPTTOGJAI-PWSUYJOCSA-N 0 3 197.322 2.191 10 0 AEAEHN CN[C@@H](C)c1cc(F)c(F)cc1F 114538480 573088238 /nfs/dbraw/zinc/08/82/38/573088238.db2.gz XGLYYDKEWDIKNF-YFKPBYRVSA-N 0 3 189.180 2.384 10 0 AEAEHN Cc1[nH]c(N)nc1-c1cccs1 82529565 573091304 /nfs/dbraw/zinc/09/13/04/573091304.db2.gz MAYLFCFEXYSQLR-UHFFFAOYSA-N 0 3 179.248 2.029 10 0 AEAEHN CC(C)COc1cccc2c1CNC2 257947939 573121605 /nfs/dbraw/zinc/12/16/05/573121605.db2.gz IMCFWICVBUJXJU-UHFFFAOYSA-N 0 3 191.274 2.325 10 0 AEAEHN Cc1cc(CC(C)(C)[NH3+])cc([O-])c1F 257947619 573122351 /nfs/dbraw/zinc/12/23/51/573122351.db2.gz ALSPKZAOUGYZJQ-UHFFFAOYSA-N 0 3 197.253 2.120 10 0 AEAEHN CN(C)C(C)(C)[C@@H](N)c1ccsc1 85736251 573128998 /nfs/dbraw/zinc/12/89/98/573128998.db2.gz BVOAEVKZUDMJIB-VIFPVBQESA-N 0 3 198.335 2.088 10 0 AEAEHN Cc1cccc([C@H](N)[C@@H]2CCCO2)c1 83711983 573597987 /nfs/dbraw/zinc/59/79/87/573597987.db2.gz SOHBOEHGBMYHKP-RYUDHWBXSA-N 0 3 191.274 2.174 10 0 AEAEHN Cn1ccnc1[C@H](N)CC1CCCC1 89015207 573134145 /nfs/dbraw/zinc/13/41/45/573134145.db2.gz LKNRHBMZLCEXQH-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN CN[C@H](c1cc(C)ccn1)C(C)C 82643743 573137556 /nfs/dbraw/zinc/13/75/56/573137556.db2.gz MVUGJDOQDXAJHH-NSHDSACASA-N 0 3 178.279 2.307 10 0 AEAEHN CCN[C@](C)(COC)c1ccccc1 308504699 573151039 /nfs/dbraw/zinc/15/10/39/573151039.db2.gz IEHPBBWPOPCVMY-GFCCVEGCSA-N 0 3 193.290 2.158 10 0 AEAEHN CC(C)(C(=O)C1CC1)N1CCCCC1 85740999 573137668 /nfs/dbraw/zinc/13/76/68/573137668.db2.gz MUZCXNVONYKIJX-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)c1ncc(CN)c(C(C)C)n1 82637136 573137728 /nfs/dbraw/zinc/13/77/28/573137728.db2.gz VONRXZPITFSXNO-UHFFFAOYSA-N 0 3 193.294 2.182 10 0 AEAEHN COc1cc(SC)ccc1[C@@H](C)N 257955920 573137792 /nfs/dbraw/zinc/13/77/92/573137792.db2.gz BIVBNPFZHXDERK-SSDOTTSWSA-N 0 3 197.303 2.437 10 0 AEAEHN Cc1ccnc(C(=N)NC(C)(C)C)c1 82643921 573137798 /nfs/dbraw/zinc/13/77/98/573137798.db2.gz WEEWRPHVVRWBGR-UHFFFAOYSA-N 0 3 191.278 2.103 10 0 AEAEHN Cc1ccnc([C@H](N)CC(C)C)c1 82643629 573137845 /nfs/dbraw/zinc/13/78/45/573137845.db2.gz HLOQSLXECIGKQB-SNVBAGLBSA-N 0 3 178.279 2.436 10 0 AEAEHN Cn1ccnc1[C@@H](N)CC1CCCC1 89015208 573137892 /nfs/dbraw/zinc/13/78/92/573137892.db2.gz LKNRHBMZLCEXQH-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN CCc1c(CN)csc1C 82632112 573137897 /nfs/dbraw/zinc/13/78/97/573137897.db2.gz SWVKQQCFBZXUQA-UHFFFAOYSA-N 0 3 155.266 2.078 10 0 AEAEHN CC(=O)C1(N(C)C)CCCCCC1 85754047 573138628 /nfs/dbraw/zinc/13/86/28/573138628.db2.gz WDLIQYJHDJFTRO-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CN[C@H](C)c1c[nH]c(CCC(C)C)n1 308507957 573147008 /nfs/dbraw/zinc/14/70/08/573147008.db2.gz ARARMTHYJGCIKZ-SECBINFHSA-N 0 3 195.310 2.279 10 0 AEAEHN CC(C)[C@@H](N)c1ccc2[nH]ccc2n1 89220942 573150830 /nfs/dbraw/zinc/15/08/30/573150830.db2.gz SCKFFQUERAPCMT-LLVKDONJSA-N 0 3 189.262 2.219 10 0 AEAEHN FC(F)[C@H]1CC2(CCCC2)CN1 257962249 573183358 /nfs/dbraw/zinc/18/33/58/573183358.db2.gz XOHKDWPIYZJIQB-SSDOTTSWSA-N 0 3 175.222 2.174 10 0 AEAEHN CCc1cccc2c1[C@@H](C)NC2 238305285 573183434 /nfs/dbraw/zinc/18/34/34/573183434.db2.gz DFPJCDZWDHNBQA-MRVPVSSYSA-N 0 3 161.248 2.413 10 0 AEAEHN Cc1ccc2ncc(CN)c(C)c2c1 257962262 573183242 /nfs/dbraw/zinc/18/32/42/573183242.db2.gz XOQCYEPLIOAHAL-UHFFFAOYSA-N 0 3 186.258 2.310 10 0 AEAEHN C[C@@H]1CSC(NC2(C)CCCC2)=N1 82785625 573195591 /nfs/dbraw/zinc/19/55/91/573195591.db2.gz VKMZYEMBFHROCO-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@H]1CC(=O)CCN1C1(C)CCCC1 82785580 573195889 /nfs/dbraw/zinc/19/58/89/573195889.db2.gz QUOKIRFLRVTFRK-JTQLQIEISA-N 0 3 195.306 2.373 10 0 AEAEHN Cc1ccc2c([C@H](C)N)onc2c1 257966564 573195940 /nfs/dbraw/zinc/19/59/40/573195940.db2.gz YCNGFLLYECWVBF-ZETCQYMHSA-N 0 3 176.219 2.156 10 0 AEAEHN Cc1ccc2c([C@@H](C)N)onc2c1 257966560 573195983 /nfs/dbraw/zinc/19/59/83/573195983.db2.gz YCNGFLLYECWVBF-SSDOTTSWSA-N 0 3 176.219 2.156 10 0 AEAEHN C[C@@H]1CN=C(NC2(C)CCCC2)S1 82785618 573196123 /nfs/dbraw/zinc/19/61/23/573196123.db2.gz YHKNTWJEZWVINF-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CCSc1ccc2c(c1)OC[C@@H]2N 238310534 573196161 /nfs/dbraw/zinc/19/61/61/573196161.db2.gz DUIJDDBNJXCMHX-VIFPVBQESA-N 0 3 195.287 2.191 10 0 AEAEHN C[C@@H](F)Oc1ccc2c(c1)CNCC2 257971027 573211854 /nfs/dbraw/zinc/21/18/54/573211854.db2.gz KDCRYNAINYTTPA-QMMMGPOBSA-N 0 3 195.237 2.027 10 0 AEAEHN CCc1cc(CC)c2c(c1)[C@H](N)CO2 238307302 573211959 /nfs/dbraw/zinc/21/19/59/573211959.db2.gz VJLIOXXAPDPVHK-LLVKDONJSA-N 0 3 191.274 2.204 10 0 AEAEHN CSc1cc(F)cc(CN)c1F 257972798 573212286 /nfs/dbraw/zinc/21/22/86/573212286.db2.gz CYTGPYNCCMWTQR-UHFFFAOYSA-N 0 3 189.230 2.145 10 0 AEAEHN Cc1cnc(CNC(C)C)n1C(C)C 257971055 573212381 /nfs/dbraw/zinc/21/23/81/573212381.db2.gz ZWYFWFFQRXUZAY-UHFFFAOYSA-N 0 3 195.310 2.270 10 0 AEAEHN CC[C@H]1CO[C@@H](c2ccccc2C)N1 238313662 573212400 /nfs/dbraw/zinc/21/24/00/573212400.db2.gz PMMIUTKDBXPAGW-JQWIXIFHSA-N 0 3 191.274 2.392 10 0 AEAEHN CC[C@H]1CNCc2c(C)coc21 238313971 573214905 /nfs/dbraw/zinc/21/49/05/573214905.db2.gz XMCMSFHMFSNLKM-QMMMGPOBSA-N 0 3 165.236 2.185 10 0 AEAEHN CC(C)[C@@H](C)CN[C@H](C)c1ncc[nH]1 308517444 573215073 /nfs/dbraw/zinc/21/50/73/573215073.db2.gz NHSMWNVJIZORFZ-VHSXEESVSA-N 0 3 195.310 2.352 10 0 AEAEHN CC(C)=CCNCc1ccc(C)n1C 308517537 573215383 /nfs/dbraw/zinc/21/53/83/573215383.db2.gz NLCXKOGJGMLBEH-UHFFFAOYSA-N 0 3 192.306 2.389 10 0 AEAEHN [NH3+]C/C=C/c1cc(Cl)ccc1[O-] 257972863 573215478 /nfs/dbraw/zinc/21/54/78/573215478.db2.gz DAWBCERQKFAWMJ-OWOJBTEDSA-N 0 3 183.638 2.018 10 0 AEAEHN CC(C)[C@H](C)CN[C@H](C)c1ncc[nH]1 308517442 573215500 /nfs/dbraw/zinc/21/55/00/573215500.db2.gz NHSMWNVJIZORFZ-NXEZZACHSA-N 0 3 195.310 2.352 10 0 AEAEHN CC(C)[C@H]1NCc2ccc(O)cc21 221273690 573216756 /nfs/dbraw/zinc/21/67/56/573216756.db2.gz XMNDXRQMUQNESI-LLVKDONJSA-N 0 3 177.247 2.193 10 0 AEAEHN CC[C@H](N)c1[nH]ccc1C(F)(F)F 238308055 573216874 /nfs/dbraw/zinc/21/68/74/573216874.db2.gz CESYOPPJVXCYKN-LURJTMIESA-N 0 3 192.184 2.443 10 0 AEAEHN CC[C@H]([NH3+])c1cc([O-])ccc1Cl 238313988 573217013 /nfs/dbraw/zinc/21/70/13/573217013.db2.gz JSZJRJBLHDYRQF-VIFPVBQESA-N 0 3 185.654 2.455 10 0 AEAEHN CC[C@@H](O)CCCNc1ccncc1 308518752 573222796 /nfs/dbraw/zinc/22/27/96/573222796.db2.gz NVWCAFKVVXTPJF-LLVKDONJSA-N 0 3 194.278 2.045 10 0 AEAEHN CNCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C 238321784 573228528 /nfs/dbraw/zinc/22/85/28/573228528.db2.gz UGYNHFALCFXPAN-SKDRFNHKSA-N 0 3 197.322 2.237 10 0 AEAEHN CNCC(=O)[C@]1(C)CC[C@H](C)C1(C)C 238321793 573228618 /nfs/dbraw/zinc/22/86/18/573228618.db2.gz UGYNHFALCFXPAN-CABZTGNLSA-N 0 3 197.322 2.237 10 0 AEAEHN CCC[C@H](C)[C@@H](C)C[C@@H]1COCCN1 308526701 573236890 /nfs/dbraw/zinc/23/68/90/573236890.db2.gz BFWIUMBLRAWBHL-SDDRHHMPSA-N 0 3 199.338 2.437 10 0 AEAEHN CN[C@H](C=C(C)C)c1ccccn1 86025798 573236915 /nfs/dbraw/zinc/23/69/15/573236915.db2.gz VSTHJIYVNLJGPS-LLVKDONJSA-N 0 3 176.263 2.308 10 0 AEAEHN C[C@H]1CC(=O)CCN1C[C@@H]1CC1(C)C 235552603 573236951 /nfs/dbraw/zinc/23/69/51/573236951.db2.gz HFWSDIHECAQRMF-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN CN[C@@]1(C)C(C)=C(C)[C@]1(C)Cl 238314959 573236237 /nfs/dbraw/zinc/23/62/37/573236237.db2.gz ZLVOPSUDTXCSHO-IUCAKERBSA-N 0 3 173.687 2.312 10 0 AEAEHN CN[C@H](C=C(C)C)c1cccnc1 86025853 573236381 /nfs/dbraw/zinc/23/63/81/573236381.db2.gz BBMBPLLFXRWHKK-LLVKDONJSA-N 0 3 176.263 2.308 10 0 AEAEHN CCCc1sc(CNC)nc1C 258604632 573236393 /nfs/dbraw/zinc/23/63/93/573236393.db2.gz AJSNLMHUEVDLIJ-UHFFFAOYSA-N 0 3 184.308 2.123 10 0 AEAEHN Cc1cc([O-])c(Cl)cc1C[C@H](C)[NH3+] 258242981 573236434 /nfs/dbraw/zinc/23/64/34/573236434.db2.gz WYKRVXICPWXFSB-ZETCQYMHSA-N 0 3 199.681 2.244 10 0 AEAEHN CC(C)=C[C@H](N)c1ncccc1C 86028576 573236449 /nfs/dbraw/zinc/23/64/49/573236449.db2.gz XPSGGGYDZLVUSR-JTQLQIEISA-N 0 3 176.263 2.356 10 0 AEAEHN CN/C=C(/C)c1cccc(OC)c1 238314821 573236581 /nfs/dbraw/zinc/23/65/81/573236581.db2.gz OJPZWMYSBWSTIM-HJWRWDBZSA-N 0 3 177.247 2.275 10 0 AEAEHN CN[C@@H](C=C(C)C)c1ccncc1 86025906 573236684 /nfs/dbraw/zinc/23/66/84/573236684.db2.gz ASSPSAGJSVWEPW-NSHDSACASA-N 0 3 176.263 2.308 10 0 AEAEHN CCc1nc(CC)n(C(C)C)c1N 105025258 573236748 /nfs/dbraw/zinc/23/67/48/573236748.db2.gz QLKCMXMOGYCHLM-UHFFFAOYSA-N 0 3 181.283 2.171 10 0 AEAEHN CC(C)N(C)Cc1ccc(F)cc1N 82864486 573244698 /nfs/dbraw/zinc/24/46/98/573244698.db2.gz UXOJDNBYUTWHBF-UHFFFAOYSA-N 0 3 196.269 2.248 10 0 AEAEHN CCCC[C@H](C)[C@H](N)c1cn(C)cn1 308521230 573244039 /nfs/dbraw/zinc/24/40/39/573244039.db2.gz HUZRMOSLZDTZNJ-ONGXEEELSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCC[C@H](C)[C@@H](N)c1cn(C)cn1 308521227 573244068 /nfs/dbraw/zinc/24/40/68/573244068.db2.gz HUZRMOSLZDTZNJ-GXSJLCMTSA-N 0 3 195.310 2.246 10 0 AEAEHN CC(C)=C[C@H](N)c1ccoc1 86056389 573244150 /nfs/dbraw/zinc/24/41/50/573244150.db2.gz ONPQPSHGZDEJFT-VIFPVBQESA-N 0 3 151.209 2.246 10 0 AEAEHN CC(C)N(C)Cc1ccc(N)cc1F 82864726 573244207 /nfs/dbraw/zinc/24/42/07/573244207.db2.gz DURGUQDBXLSRCX-UHFFFAOYSA-N 0 3 196.269 2.248 10 0 AEAEHN CC(C)=C[C@@H](N)c1cccc(C)n1 86056176 573244217 /nfs/dbraw/zinc/24/42/17/573244217.db2.gz RGFBZYODEZHOGK-SNVBAGLBSA-N 0 3 176.263 2.356 10 0 AEAEHN Cc1sccc1CCN(C)C 238315647 573244322 /nfs/dbraw/zinc/24/43/22/573244322.db2.gz JGQZLDPNZQGBDS-UHFFFAOYSA-N 0 3 169.293 2.161 10 0 AEAEHN CN(C)CCc1ccc(F)cc1F 238315342 573244503 /nfs/dbraw/zinc/24/45/03/573244503.db2.gz DGNARNBBVRQBRW-UHFFFAOYSA-N 0 3 185.217 2.069 10 0 AEAEHN CN[C@H](O)c1ccc2ccccc2c1 259604326 573244533 /nfs/dbraw/zinc/24/45/33/573244533.db2.gz YFCFENQAOIMOBP-GFCCVEGCSA-N 0 3 187.242 2.050 10 0 AEAEHN CCC[C@H](NCC)c1cn(CC)cn1 308521181 573244544 /nfs/dbraw/zinc/24/45/44/573244544.db2.gz HRTMIJGMLKMHIQ-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN COC(C)(C)[C@@H](N)c1ccccc1C 86072662 573250753 /nfs/dbraw/zinc/25/07/53/573250753.db2.gz LWXDEHQVHCYNJQ-NSHDSACASA-N 0 3 193.290 2.420 10 0 AEAEHN Cc1cc([C@@H](N)[C@H]2CCCO2)cs1 83712744 573600536 /nfs/dbraw/zinc/60/05/36/573600536.db2.gz XIGYPURAPIGWKI-NXEZZACHSA-N 0 3 197.303 2.235 10 0 AEAEHN CC1(Oc2ccc(Cl)cc2)CNC1 257983637 573250358 /nfs/dbraw/zinc/25/03/58/573250358.db2.gz DSONKECYYXJUFF-UHFFFAOYSA-N 0 3 197.665 2.081 10 0 AEAEHN COC(C)(C)[C@H](N)c1cccc(F)c1 86073114 573250416 /nfs/dbraw/zinc/25/04/16/573250416.db2.gz RHZWRHJGNSJCIJ-SNVBAGLBSA-N 0 3 197.253 2.251 10 0 AEAEHN CCC(C)(C)CCN1CC(OC)C1 308322338 573250693 /nfs/dbraw/zinc/25/06/93/573250693.db2.gz ZMIFVYGPLPQKAU-UHFFFAOYSA-N 0 3 185.311 2.143 10 0 AEAEHN CC(C)(N)c1nsc2ccccc12 82891722 573258614 /nfs/dbraw/zinc/25/86/14/573258614.db2.gz HLWNVQRELWYOMU-UHFFFAOYSA-N 0 3 192.287 2.490 10 0 AEAEHN CCCc1ccc([C@@H]2CCN2)o1 211627143 573258268 /nfs/dbraw/zinc/25/82/68/573258268.db2.gz MNYFBRFZRMEPAH-VIFPVBQESA-N 0 3 165.236 2.267 10 0 AEAEHN Cc1ccccc1C[C@H](F)[C@@H](C)N 257981357 573258354 /nfs/dbraw/zinc/25/83/54/573258354.db2.gz ZSBHOFBMKXQRKQ-KOLCDFICSA-N 0 3 181.254 2.223 10 0 AEAEHN CN[C@H](C)c1cc2cc(O)ccc2o1 258262746 573258445 /nfs/dbraw/zinc/25/84/45/573258445.db2.gz RZVRAZFEFSNSEN-SSDOTTSWSA-N 0 3 191.230 2.419 10 0 AEAEHN Cc1ncsc1[C@@H]1CCCCN1 82887174 573259314 /nfs/dbraw/zinc/25/93/14/573259314.db2.gz NULBLNOQDKFMPB-QMMMGPOBSA-N 0 3 182.292 2.266 10 0 AEAEHN CC(C)(C)SCCNCCF 393513185 573258900 /nfs/dbraw/zinc/25/89/00/573258900.db2.gz HTFPDCAAKOEZBM-UHFFFAOYSA-N 0 3 179.304 2.077 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1ccc(O)cc1 257980713 573258915 /nfs/dbraw/zinc/25/89/15/573258915.db2.gz ZQQVXDLMEITFBU-GMSGAONNSA-N 0 3 183.226 2.011 10 0 AEAEHN Cc1ccccc1C[C@@H](F)[C@@H](C)N 257981360 573258998 /nfs/dbraw/zinc/25/89/98/573258998.db2.gz ZSBHOFBMKXQRKQ-MWLCHTKSSA-N 0 3 181.254 2.223 10 0 AEAEHN CNCc1ccc(C(C)(C)C)cn1 238326668 573259071 /nfs/dbraw/zinc/25/90/71/573259071.db2.gz LDNLAKVNCHVLNM-UHFFFAOYSA-N 0 3 178.279 2.099 10 0 AEAEHN CCc1cc(Cl)cc2c1[C@@H](N)CO2 238326692 573263078 /nfs/dbraw/zinc/26/30/78/573263078.db2.gz IJJMWLQDIVLSIY-QMMMGPOBSA-N 0 3 197.665 2.295 10 0 AEAEHN CCCC(=O)CN(C)[C@@H](C)C(C)C 50184148 573263080 /nfs/dbraw/zinc/26/30/80/573263080.db2.gz YOFFQUAPGBYKJR-JTQLQIEISA-N 0 3 185.311 2.332 10 0 AEAEHN C[C@@H](N)c1ncn2cc(Cl)ccc12 107318250 573262604 /nfs/dbraw/zinc/26/26/04/573262604.db2.gz VUHNOZCPNPAPLB-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN CN(C)Cc1ccc(C(C)(C)C)[nH]1 238331083 573278018 /nfs/dbraw/zinc/27/80/18/573278018.db2.gz GMSJRIKSGNTKGH-UHFFFAOYSA-N 0 3 180.295 2.374 10 0 AEAEHN CCCOc1ccccc1[C@@H](F)CN 132353154 573290247 /nfs/dbraw/zinc/29/02/47/573290247.db2.gz AXDVWLUARYUGCL-JTQLQIEISA-N 0 3 197.253 2.445 10 0 AEAEHN CCCN[C@@H](CC)c1ccnc(C)n1 132461947 573312186 /nfs/dbraw/zinc/31/21/86/573312186.db2.gz HSPHJGIAOREERL-JTQLQIEISA-N 0 3 193.294 2.236 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1ccoc1 86206075 573312191 /nfs/dbraw/zinc/31/21/91/573312191.db2.gz UJASCTAJEFFNAF-PSASIEDQSA-N 0 3 165.236 2.254 10 0 AEAEHN C[C@@H](NC[C@H](C)C1CC1)c1cc[nH]n1 132462645 573312143 /nfs/dbraw/zinc/31/21/43/573312143.db2.gz LIIRZWSSIZWUPG-DTWKUNHWSA-N 0 3 193.294 2.106 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1ccccn1 86204351 573312151 /nfs/dbraw/zinc/31/21/51/573312151.db2.gz WNIKUUSOJYZRRW-GXSJLCMTSA-N 0 3 176.263 2.056 10 0 AEAEHN N[C@@H](CC1CC1)c1cccnc1F 74303697 573313124 /nfs/dbraw/zinc/31/31/24/573313124.db2.gz CNSQUSFZJKKMHY-VIFPVBQESA-N 0 3 180.226 2.021 10 0 AEAEHN COc1c(C)cc(Cl)c(CN)c1C 258252783 573313154 /nfs/dbraw/zinc/31/31/54/573313154.db2.gz XTJUJYUHCJVMPZ-UHFFFAOYSA-N 0 3 199.681 2.424 10 0 AEAEHN CN[C@H](c1ccsc1)[C@@H]1CCCO1 83713257 573601787 /nfs/dbraw/zinc/60/17/87/573601787.db2.gz LUYCEFANEDGHBF-VHSXEESVSA-N 0 3 197.303 2.188 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1ccoc1 86206080 573312714 /nfs/dbraw/zinc/31/27/14/573312714.db2.gz UJASCTAJEFFNAF-WPRPVWTQSA-N 0 3 165.236 2.254 10 0 AEAEHN COc1cc(F)c(C)cc1[C@@H](C)N 238346372 573313078 /nfs/dbraw/zinc/31/30/78/573313078.db2.gz XJWAGRVJIJEDCQ-SSDOTTSWSA-N 0 3 183.226 2.162 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1cc(C)ccn1 86204322 573313111 /nfs/dbraw/zinc/31/31/11/573313111.db2.gz LGBZCSWAFRINLS-PWSUYJOCSA-N 0 3 190.290 2.364 10 0 AEAEHN C[NH2+]CC(C)(C)c1cccc(F)c1[O-] 106874417 573322493 /nfs/dbraw/zinc/32/24/93/573322493.db2.gz IDORJEDDODATBQ-UHFFFAOYSA-N 0 3 197.253 2.028 10 0 AEAEHN CCC[C@H](N)c1cccc(F)n1 74333922 573322529 /nfs/dbraw/zinc/32/25/29/573322529.db2.gz HJCYGYWDDWIFKD-ZETCQYMHSA-N 0 3 168.215 2.021 10 0 AEAEHN [O-]c1ccc(Cl)c([C@@H]2CCC[NH2+]2)c1 106874884 573322545 /nfs/dbraw/zinc/32/25/45/573322545.db2.gz QJWMRDCPANXPTO-JTQLQIEISA-N 0 3 197.665 2.470 10 0 AEAEHN [O-]c1cc(Cl)cc([C@H]2CC[NH2+]C2)c1 106874876 573322887 /nfs/dbraw/zinc/32/28/87/573322887.db2.gz UDESLGOUZWEEGF-ZETCQYMHSA-N 0 3 197.665 2.123 10 0 AEAEHN C[NH2+]CC(C)(C)c1ccc([O-])cc1F 106874461 573322956 /nfs/dbraw/zinc/32/29/56/573322956.db2.gz RQJYXLBHALORRE-UHFFFAOYSA-N 0 3 197.253 2.028 10 0 AEAEHN Cc1ccoc1[C@@H](N)CC1CC1 74339139 573323060 /nfs/dbraw/zinc/32/30/60/573323060.db2.gz VNQGASWCSLZCPE-VIFPVBQESA-N 0 3 165.236 2.388 10 0 AEAEHN CCC[C@@H](C)C[C@H](N)c1cncn1C 126078541 573323078 /nfs/dbraw/zinc/32/30/78/573323078.db2.gz WJFOLKXOEYRZNG-ZJUUUORDSA-N 0 3 195.310 2.246 10 0 AEAEHN Cc1cocc1[C@H](N)CC1CC1 74339129 573323092 /nfs/dbraw/zinc/32/30/92/573323092.db2.gz ZDIAEEKZCUFHSA-SNVBAGLBSA-N 0 3 165.236 2.388 10 0 AEAEHN CCC[C@H](C)C[C@@H](N)c1cncn1C 126079239 573323271 /nfs/dbraw/zinc/32/32/71/573323271.db2.gz WJFOLKXOEYRZNG-VHSXEESVSA-N 0 3 195.310 2.246 10 0 AEAEHN c1ccc(CCCN2CCC2)cc1 308349904 573333432 /nfs/dbraw/zinc/33/34/32/573333432.db2.gz XRPLGKGULUEKOW-UHFFFAOYSA-N 0 3 175.275 2.325 10 0 AEAEHN CCCn1cc([C@H](C)NCC)nc1C 308560067 573334165 /nfs/dbraw/zinc/33/41/65/573334165.db2.gz VJGSWWYNTJMXHK-VIFPVBQESA-N 0 3 195.310 2.272 10 0 AEAEHN CO[C@@H](N)c1c(C)[nH]c2ccccc12 259420046 573333689 /nfs/dbraw/zinc/33/36/89/573333689.db2.gz MRRXHCWDGPGERW-LLVKDONJSA-N 0 3 190.246 2.080 10 0 AEAEHN CC(C)c1cccnc1[C@H](C)N 259420718 573333743 /nfs/dbraw/zinc/33/37/43/573333743.db2.gz SURRGXFMGXFYMP-QMMMGPOBSA-N 0 3 164.252 2.225 10 0 AEAEHN CN[C@H](c1occc1C)[C@H](C)COC 686245249 573337129 /nfs/dbraw/zinc/33/71/29/573337129.db2.gz VNDWMIGCAQTENJ-ZJUUUORDSA-N 0 3 197.278 2.131 10 0 AEAEHN CCCn1cc([C@@H](C)NCC)nc1C 308560066 573336644 /nfs/dbraw/zinc/33/66/44/573336644.db2.gz VJGSWWYNTJMXHK-SECBINFHSA-N 0 3 195.310 2.272 10 0 AEAEHN CCN[C@H](c1cn(CC)cn1)C(C)C 308559728 573336748 /nfs/dbraw/zinc/33/67/48/573336748.db2.gz VDEJAQPIXLXUEX-NSHDSACASA-N 0 3 195.310 2.210 10 0 AEAEHN F[C@@H](c1ccccc1)[C@H]1CCN1 258633307 573336862 /nfs/dbraw/zinc/33/68/62/573336862.db2.gz YAPAURLXQGICKW-ZJUUUORDSA-N 0 3 165.211 2.059 10 0 AEAEHN COc1ccc(/C=C(/F)[C@@H](C)N)cc1 238355198 573336983 /nfs/dbraw/zinc/33/69/83/573336983.db2.gz XGSGOFORZJYEDA-XAPLUZPNSA-N 0 3 195.237 2.353 10 0 AEAEHN C[C@@H]1C(=O)CCN(C2CCCC2)[C@@H]1C 86303239 573356629 /nfs/dbraw/zinc/35/66/29/573356629.db2.gz URTSOHAZUCANGH-VHSXEESVSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(C)[C@H](C)N1CCC(=O)[C@H](C)[C@H]1C 86303440 573356798 /nfs/dbraw/zinc/35/67/98/573356798.db2.gz URHHPKLMERDNET-OUAUKWLOSA-N 0 3 197.322 2.330 10 0 AEAEHN C[C@@H]1C(=O)CCN(CC(C)(C)C)[C@@H]1C 86304136 573356210 /nfs/dbraw/zinc/35/62/10/573356210.db2.gz QLVQFSNNQMTCJV-VHSXEESVSA-N 0 3 197.322 2.332 10 0 AEAEHN CN[C@@H](c1ccc(COC)o1)C(C)C 132955984 573356241 /nfs/dbraw/zinc/35/62/41/573356241.db2.gz SDIIJJWUFQQGFI-LLVKDONJSA-N 0 3 197.278 2.343 10 0 AEAEHN C[C@@H](NCc1cncnc1)C(C)(C)C 132847169 573356297 /nfs/dbraw/zinc/35/62/97/573356297.db2.gz CITCAQQHVWGYPN-SECBINFHSA-N 0 3 193.294 2.001 10 0 AEAEHN CCC(C)(C)N1CCC(=O)[C@H](C)[C@@H]1C 86303293 573356485 /nfs/dbraw/zinc/35/64/85/573356485.db2.gz ANLVLDNARWDPGY-ZJUUUORDSA-N 0 3 197.322 2.474 10 0 AEAEHN CN[C@@H](CF)c1ccccc1C 107121306 573361333 /nfs/dbraw/zinc/36/13/33/573361333.db2.gz XYJRSGZLMNKTFW-JTQLQIEISA-N 0 3 167.227 2.225 10 0 AEAEHN C[C@@H](N)c1coc([C@@H]2CCCS2)n1 258297895 573360845 /nfs/dbraw/zinc/36/08/45/573360845.db2.gz ZOCHXFPDQICRBZ-SVRRBLITSA-N 0 3 198.291 2.262 10 0 AEAEHN CN[C@H](CF)c1ccccc1C 107121304 573360999 /nfs/dbraw/zinc/36/09/99/573360999.db2.gz XYJRSGZLMNKTFW-SNVBAGLBSA-N 0 3 167.227 2.225 10 0 AEAEHN CCn1cnc([C@H](N)CC(C)(C)C)c1 308562338 573361065 /nfs/dbraw/zinc/36/10/65/573361065.db2.gz WSZKTVQZOCGGHP-SECBINFHSA-N 0 3 195.310 2.339 10 0 AEAEHN CCCc1ncc2cc(OC)ccn12 258007349 573361209 /nfs/dbraw/zinc/36/12/09/573361209.db2.gz BJFUFZVHNONJBL-UHFFFAOYSA-N 0 3 190.246 2.295 10 0 AEAEHN C[C@H]1[C@@H](C)C(=O)CCN1CCC1CC1 86305498 573361280 /nfs/dbraw/zinc/36/12/80/573361280.db2.gz KIGCIIZADVXGJZ-ZJUUUORDSA-N 0 3 195.306 2.086 10 0 AEAEHN N[C@@H](CF)c1ccc2occc2c1 107126688 573363795 /nfs/dbraw/zinc/36/37/95/573363795.db2.gz ATXVIDVGTDYXNR-VIFPVBQESA-N 0 3 179.194 2.402 10 0 AEAEHN CC[C@H](F)CN(CC)C[C@@H](C)OC 308367736 573363527 /nfs/dbraw/zinc/36/35/27/573363527.db2.gz OVXUYPWTJQOGRA-ZJUUUORDSA-N 0 3 191.290 2.091 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1cn(CC)cn1 308562827 573363594 /nfs/dbraw/zinc/36/35/94/573363594.db2.gz XBIMKCRNKXBHIT-KOLCDFICSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@@H](F)CN(CC)C[C@H](C)OC 308367733 573363686 /nfs/dbraw/zinc/36/36/86/573363686.db2.gz OVXUYPWTJQOGRA-VHSXEESVSA-N 0 3 191.290 2.091 10 0 AEAEHN N[C@@H](CF)c1ccc2c(c1)CCC2 107126938 573363697 /nfs/dbraw/zinc/36/36/97/573363697.db2.gz NDNIOTBAESSYAK-NSHDSACASA-N 0 3 179.238 2.145 10 0 AEAEHN CC[C@@H](C=C1CNC1)CC(F)F 688758188 573368478 /nfs/dbraw/zinc/36/84/78/573368478.db2.gz GNPQKFYLNALWPO-ZETCQYMHSA-N 0 3 175.222 2.197 10 0 AEAEHN CC(C)(F)c1ccnc(C2(N)CC2)c1 214771427 573368651 /nfs/dbraw/zinc/36/86/51/573368651.db2.gz YRPPMVBNIAVIMY-UHFFFAOYSA-N 0 3 194.253 2.234 10 0 AEAEHN CC(C)[C@H]1CCNc2ccncc2N1 107135385 573368734 /nfs/dbraw/zinc/36/87/34/573368734.db2.gz YRMFAWSQEOTUAY-SECBINFHSA-N 0 3 191.278 2.334 10 0 AEAEHN NCc1cnsc1-c1ccccc1 107134558 573369343 /nfs/dbraw/zinc/36/93/43/573369343.db2.gz YUIYFGIFIRKNHJ-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN CC[C@@H](F)CN(CC)[C@H](C)COC 308374009 573369531 /nfs/dbraw/zinc/36/95/31/573369531.db2.gz RIVVDTUEDXYKDA-NXEZZACHSA-N 0 3 191.290 2.091 10 0 AEAEHN Cc1cccc(N(C)C)c1C1(N)CC1 259432279 573381248 /nfs/dbraw/zinc/38/12/48/573381248.db2.gz KZNYJVBNMMBKFJ-UHFFFAOYSA-N 0 3 190.290 2.009 10 0 AEAEHN CC[C@](N)(c1nccs1)C1CC1 83058104 573380691 /nfs/dbraw/zinc/38/06/91/573380691.db2.gz CJIRVIPROPMSMK-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1C[C@](O)(CC(C)(C)C)CCN1C 107142728 573380728 /nfs/dbraw/zinc/38/07/28/573380728.db2.gz PRCCULMORSGIBV-JQWIXIFHSA-N 0 3 199.338 2.268 10 0 AEAEHN CCCC1([C@H](N)c2cncnc2)CC1 308566648 573380750 /nfs/dbraw/zinc/38/07/50/573380750.db2.gz AVKYTUVBLRZDHD-SNVBAGLBSA-N 0 3 191.278 2.057 10 0 AEAEHN CC[C@](C)(C(C)=O)N(C)C[C@@H]1C[C@H]1C 308566354 573380808 /nfs/dbraw/zinc/38/08/08/573380808.db2.gz YMBAXEBUBJKLEA-ADEWGFFLSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H]1C[C@@](O)(CC(C)(C)C)CCN1C 107142736 573380875 /nfs/dbraw/zinc/38/08/75/573380875.db2.gz PRCCULMORSGIBV-CMPLNLGQSA-N 0 3 199.338 2.268 10 0 AEAEHN C[C@@H]1C[C@@](O)(CC(C)(C)C)CCN1C 107142732 573381139 /nfs/dbraw/zinc/38/11/39/573381139.db2.gz PRCCULMORSGIBV-ZYHUDNBSSA-N 0 3 199.338 2.268 10 0 AEAEHN C/C=C\CCN[C@@H](C)c1nccn1C 308377754 573382062 /nfs/dbraw/zinc/38/20/62/573382062.db2.gz CBRXCPPYGUMSOD-LWTINBJPSA-N 0 3 193.294 2.037 10 0 AEAEHN CNc1cccc2c1CN(C1CC1)C2 259434524 573382447 /nfs/dbraw/zinc/38/24/47/573382447.db2.gz USNXICQUUGHNHS-UHFFFAOYSA-N 0 3 188.274 2.206 10 0 AEAEHN COc1cncc([C@@H](N)C(C)(C)C)c1 124233641 573383718 /nfs/dbraw/zinc/38/37/18/573383718.db2.gz ZLVPSZSLOVASRX-SNVBAGLBSA-N 0 3 194.278 2.136 10 0 AEAEHN COc1ccc(Cl)c([C@@H]2CCN2)c1 238375144 573382976 /nfs/dbraw/zinc/38/29/76/573382976.db2.gz ZFNZKLGCXKSRSY-JTQLQIEISA-N 0 3 197.665 2.383 10 0 AEAEHN CC[C@@](N)(c1nc(C)cs1)C1CC1 83058083 573383377 /nfs/dbraw/zinc/38/33/77/573383377.db2.gz YDAGLGKPRBZTAN-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN CC[C@@H](C)CNCc1cccnc1F 308566661 573383477 /nfs/dbraw/zinc/38/34/77/573383477.db2.gz AVUKBPYTTLDIAS-SECBINFHSA-N 0 3 196.269 2.356 10 0 AEAEHN NCC1=NO[C@H](C2CCCCCC2)C1 257810567 573390723 /nfs/dbraw/zinc/39/07/23/573390723.db2.gz AMRSEDAJXBTPEB-NSHDSACASA-N 0 3 196.294 2.060 10 0 AEAEHN CC(C)[C@H]1C[C@]1(N)c1ccco1 107160759 573390109 /nfs/dbraw/zinc/39/01/09/573390109.db2.gz OYUSWLDWRAQDFK-PSASIEDQSA-N 0 3 165.236 2.110 10 0 AEAEHN COc1ccc(F)c2c1[C@@H](N)CCC2 238378325 573392257 /nfs/dbraw/zinc/39/22/57/573392257.db2.gz YPXSGJIDHUYJNE-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN C[C@H]1CNCc2ccccc2S1 107168083 573392321 /nfs/dbraw/zinc/39/23/21/573392321.db2.gz DMPMBCPPLGPTCN-QMMMGPOBSA-N 0 3 179.288 2.270 10 0 AEAEHN NCC1=NO[C@@H](C2CCCCCC2)C1 257810566 573392389 /nfs/dbraw/zinc/39/23/89/573392389.db2.gz AMRSEDAJXBTPEB-LLVKDONJSA-N 0 3 196.294 2.060 10 0 AEAEHN CCCCCN[C@@H](C)c1cncnc1 308569527 573392636 /nfs/dbraw/zinc/39/26/36/573392636.db2.gz BNDZLDYQJZZCFE-JTQLQIEISA-N 0 3 193.294 2.317 10 0 AEAEHN COc1ccc(F)c2c1[C@H](N)CCC2 238378311 573392771 /nfs/dbraw/zinc/39/27/71/573392771.db2.gz YPXSGJIDHUYJNE-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN C[C@@H]1CNCc2ccccc2S1 107168081 573392911 /nfs/dbraw/zinc/39/29/11/573392911.db2.gz DMPMBCPPLGPTCN-MRVPVSSYSA-N 0 3 179.288 2.270 10 0 AEAEHN COc1cc([C@H]2CCCCN2)co1 238385705 573397858 /nfs/dbraw/zinc/39/78/58/573397858.db2.gz LEWACDAWSFJAJY-SECBINFHSA-N 0 3 181.235 2.103 10 0 AEAEHN N[C@H]1CCSc2cccc(F)c21 107171299 573397560 /nfs/dbraw/zinc/39/75/60/573397560.db2.gz OHSIKMKLSFUQJS-ZETCQYMHSA-N 0 3 183.251 2.321 10 0 AEAEHN Fc1cnccc1[C@@H]1CCCCCN1 83094027 573397619 /nfs/dbraw/zinc/39/76/19/573397619.db2.gz DAEPUSQHRPBSOC-NSHDSACASA-N 0 3 194.253 2.425 10 0 AEAEHN CCn1ccnc1NC[C@H](C)C1CC1 133311454 573397656 /nfs/dbraw/zinc/39/76/56/573397656.db2.gz ZLEIKSPVQSJNTL-VIFPVBQESA-N 0 3 193.294 2.361 10 0 AEAEHN CCc1nc2c(s1)CCC[C@@H]2NC 83117128 573409571 /nfs/dbraw/zinc/40/95/71/573409571.db2.gz YNKPWMSDQOIMMB-ZETCQYMHSA-N 0 3 196.319 2.302 10 0 AEAEHN Cc1cc(F)c(F)c(C2(N)CC2)c1 258019016 573409380 /nfs/dbraw/zinc/40/93/80/573409380.db2.gz HYNOUVJXIIWLLI-UHFFFAOYSA-N 0 3 183.201 2.221 10 0 AEAEHN CCN[C@H]1CCCc2scnc21 83117203 573409462 /nfs/dbraw/zinc/40/94/62/573409462.db2.gz BPKYAINTOCKJJL-ZETCQYMHSA-N 0 3 182.292 2.130 10 0 AEAEHN COC[C@H](C)N[C@@H](C)c1occc1C 308577515 573410850 /nfs/dbraw/zinc/41/08/50/573410850.db2.gz DYWXLFWAUXJIFY-UWVGGRQHSA-N 0 3 197.278 2.274 10 0 AEAEHN COc1ccc([C@@H](F)[C@@H](C)N)cc1 257811142 573410859 /nfs/dbraw/zinc/41/08/59/573410859.db2.gz AWPNUPXFVYFMGX-XCBNKYQSSA-N 0 3 183.226 2.053 10 0 AEAEHN COc1ccc([C@H](F)[C@@H](C)N)cc1 257811140 573410903 /nfs/dbraw/zinc/41/09/03/573410903.db2.gz AWPNUPXFVYFMGX-GMSGAONNSA-N 0 3 183.226 2.053 10 0 AEAEHN COC[C@H](C)N[C@H](C)c1occc1C 308577517 573410519 /nfs/dbraw/zinc/41/05/19/573410519.db2.gz DYWXLFWAUXJIFY-VHSXEESVSA-N 0 3 197.278 2.274 10 0 AEAEHN C/C=C\CCn1cncc1C(C)(C)N 308386650 573417426 /nfs/dbraw/zinc/41/74/26/573417426.db2.gz KWWQEIJURXLPJZ-PLNGDYQASA-N 0 3 193.294 2.043 10 0 AEAEHN C[C@@H](N)c1[nH]c2ccccc2c1F 238383235 573417494 /nfs/dbraw/zinc/41/74/94/573417494.db2.gz DSYCGGLSQMNGSX-ZCFIWIBFSA-N 0 3 178.210 2.327 10 0 AEAEHN CC(C)(C)CCNCc1cnccn1 129981797 573417649 /nfs/dbraw/zinc/41/76/49/573417649.db2.gz NTTRGLACQZPNLG-UHFFFAOYSA-N 0 3 193.294 2.002 10 0 AEAEHN CN(C)C(C)(C)c1ccc(C=O)cc1 257810766 573422004 /nfs/dbraw/zinc/42/20/04/573422004.db2.gz APNKZEAATZHTIQ-UHFFFAOYSA-N 0 3 191.274 2.296 10 0 AEAEHN CC(C)NCc1ccc(N)cc1Cl 258026155 573421447 /nfs/dbraw/zinc/42/14/47/573421447.db2.gz CLDVNXVXYQUMSV-UHFFFAOYSA-N 0 3 198.697 2.420 10 0 AEAEHN C[C@@H](c1ccccc1)n1cncc1N 238385443 573421455 /nfs/dbraw/zinc/42/14/55/573421455.db2.gz QOLWLDOEHAOXHA-VIFPVBQESA-N 0 3 187.246 2.075 10 0 AEAEHN CC[C@H](C)CN(CC)[C@@H](C)C(C)=O 86438021 573426303 /nfs/dbraw/zinc/42/63/03/573426303.db2.gz LDVUHNWSWAJVSY-UWVGGRQHSA-N 0 3 185.311 2.332 10 0 AEAEHN CC(C)c1cc(CNC(C)(C)C)[nH]n1 50479374 573426994 /nfs/dbraw/zinc/42/69/94/573426994.db2.gz ICPJCELQYHDSTI-UHFFFAOYSA-N 0 3 195.310 2.421 10 0 AEAEHN CC(C)(N)[C@H](F)c1ccc(O)cc1 257812374 573430567 /nfs/dbraw/zinc/43/05/67/573430567.db2.gz BNYQWWRVCKBXQE-SECBINFHSA-N 0 3 183.226 2.140 10 0 AEAEHN C[C@]1(C2CCCCCC2)CC(=O)CN1 258027598 573430214 /nfs/dbraw/zinc/43/02/14/573430214.db2.gz IMJNSYPVMDQTKP-GFCCVEGCSA-N 0 3 195.306 2.278 10 0 AEAEHN CCCCN[C@H](C)c1ccnc(C)n1 308585956 573445062 /nfs/dbraw/zinc/44/50/62/573445062.db2.gz IITFQUHBGGZOEH-SECBINFHSA-N 0 3 193.294 2.236 10 0 AEAEHN CCc1ccccc1[C@@H](F)CNC 257816437 573445549 /nfs/dbraw/zinc/44/55/49/573445549.db2.gz BPXWYOYQCSUZBT-NSHDSACASA-N 0 3 181.254 2.479 10 0 AEAEHN Cc1ccoc1[C@H](C)N[C@H](C)[C@@H](C)O 308590076 573453971 /nfs/dbraw/zinc/45/39/71/573453971.db2.gz JZQQRSCUZSTJPR-KXUCPTDWSA-N 0 3 197.278 2.008 10 0 AEAEHN FC(F)[C@@H]1CN[C@@H]1c1ccccc1 257817386 573453986 /nfs/dbraw/zinc/45/39/86/573453986.db2.gz DQWKNZKEZKJRJR-RKDXNWHRSA-N 0 3 183.201 2.212 10 0 AEAEHN CC(=O)[C@H](N1CCCCC1)C(C)(C)C 259455034 573453525 /nfs/dbraw/zinc/45/35/25/573453525.db2.gz WKEVLXJHFVIOKH-NSHDSACASA-N 0 3 197.322 2.476 10 0 AEAEHN Cc1ccc2c(c1)CC[C@]2(F)CN 257817484 573453618 /nfs/dbraw/zinc/45/36/18/573453618.db2.gz DSFAJTYYYLKNLX-NSHDSACASA-N 0 3 179.238 2.065 10 0 AEAEHN NC1(c2conc2C2CC2)CCCC1 83278388 573453628 /nfs/dbraw/zinc/45/36/28/573453628.db2.gz IRGSQMWFBNHGLO-UHFFFAOYSA-N 0 3 192.262 2.280 10 0 AEAEHN CCCc1cc([C@@H](C)N)nn1C(C)C 257817714 573458870 /nfs/dbraw/zinc/45/88/70/573458870.db2.gz DXMYJJLZDZGUCS-SECBINFHSA-N 0 3 195.310 2.436 10 0 AEAEHN CCCc1[nH]c(C(C)(C)NC)nc1C 258497740 573458910 /nfs/dbraw/zinc/45/89/10/573458910.db2.gz DQSXXIDOGUKATA-UHFFFAOYSA-N 0 3 195.310 2.125 10 0 AEAEHN CCCc1nc(C(C)(C)NC)[nH]c1C 258497740 573458914 /nfs/dbraw/zinc/45/89/14/573458914.db2.gz DQSXXIDOGUKATA-UHFFFAOYSA-N 0 3 195.310 2.125 10 0 AEAEHN C[C@H](F)CNCc1ccccc1 107264864 573458309 /nfs/dbraw/zinc/45/83/09/573458309.db2.gz SNGNOMDYULXUPW-VIFPVBQESA-N 0 3 167.227 2.134 10 0 AEAEHN CCc1cc2[nH]c(C)cc2cn1 142587578 573458314 /nfs/dbraw/zinc/45/83/14/573458314.db2.gz XEDDUFIAMAMNCR-UHFFFAOYSA-N 0 3 160.220 2.434 10 0 AEAEHN FCc1csc([C@@H]2CCCN2)n1 107262954 573459894 /nfs/dbraw/zinc/45/98/94/573459894.db2.gz DWRZKPSQYXXIGA-ZETCQYMHSA-N 0 3 186.255 2.037 10 0 AEAEHN C[C@H](N)c1cccc(OC(C)(C)C)n1 211796907 573459915 /nfs/dbraw/zinc/45/99/15/573459915.db2.gz UIVYLLZTMZHHRM-QMMMGPOBSA-N 0 3 194.278 2.279 10 0 AEAEHN CC1(C)CN[C@@H](Cc2cccs2)O1 258366582 573459947 /nfs/dbraw/zinc/45/99/47/573459947.db2.gz GPUFLPAEIKNPOG-SECBINFHSA-N 0 3 197.303 2.015 10 0 AEAEHN CC(C)[C@@H]1CNCc2cc(O)ccc21 258373778 573460228 /nfs/dbraw/zinc/46/02/28/573460228.db2.gz XGOURPMOATVIAC-LBPRGKRZSA-N 0 3 191.274 2.235 10 0 AEAEHN FC[C@@H]1NCCCc2ccccc21 258032966 573460401 /nfs/dbraw/zinc/46/04/01/573460401.db2.gz PHVWABRHSHJYMJ-NSHDSACASA-N 0 3 179.238 2.233 10 0 AEAEHN CC[C@H](C)c1ccc([C@H](O)NC)cc1 259459411 573460974 /nfs/dbraw/zinc/46/09/74/573460974.db2.gz PMAQQTYHTIJNIF-CABZTGNLSA-N 0 3 193.290 2.410 10 0 AEAEHN FC[C@H]1NCCCc2ccccc21 258032962 573461031 /nfs/dbraw/zinc/46/10/31/573461031.db2.gz PHVWABRHSHJYMJ-LLVKDONJSA-N 0 3 179.238 2.233 10 0 AEAEHN CNC[C@@H](F)C[C@@H]1CCCSC1 257814724 573461113 /nfs/dbraw/zinc/46/11/13/573461113.db2.gz CPEYTBXOYCSVJQ-IUCAKERBSA-N 0 3 191.315 2.077 10 0 AEAEHN Cc1cccc(N[C@@H]2CCCN2)c1 257815409 573461145 /nfs/dbraw/zinc/46/11/45/573461145.db2.gz CTLUXKXVWMZISY-LLVKDONJSA-N 0 3 176.263 2.116 10 0 AEAEHN CCn1nc([C@@H](C)N)cc1CC(C)C 257814716 573461282 /nfs/dbraw/zinc/46/12/82/573461282.db2.gz COWQVCVUFOYVIP-SECBINFHSA-N 0 3 195.310 2.121 10 0 AEAEHN COc1cc(F)c(C(C)C)cc1CN 258033183 573461412 /nfs/dbraw/zinc/46/14/12/573461412.db2.gz JBIMBQARPBGDAI-UHFFFAOYSA-N 0 3 197.253 2.416 10 0 AEAEHN CC(C)(C)[C@@]1(C)NCCC1(F)F 107274109 573467100 /nfs/dbraw/zinc/46/71/00/573467100.db2.gz IHLUSUMUNZCNIT-MRVPVSSYSA-N 0 3 177.238 2.420 10 0 AEAEHN CC(C)(C)[C@]1(C)NCCC1(F)F 107274107 573467175 /nfs/dbraw/zinc/46/71/75/573467175.db2.gz IHLUSUMUNZCNIT-QMMMGPOBSA-N 0 3 177.238 2.420 10 0 AEAEHN NC[C@](F)(C1CCCC1)C(F)(F)F 258035381 573467201 /nfs/dbraw/zinc/46/72/01/573467201.db2.gz IYAFTLKFSGHITL-ZETCQYMHSA-N 0 3 199.191 2.406 10 0 AEAEHN Fc1cccc([C@@H]2CCNC[C@H]2F)c1 107276052 573467286 /nfs/dbraw/zinc/46/72/86/573467286.db2.gz GKBLCUJJWPWFJH-WDEREUQCSA-N 0 3 197.228 2.241 10 0 AEAEHN C[C@]1(c2ccccc2)NCC[C@@H]1F 107275165 573467309 /nfs/dbraw/zinc/46/73/09/573467309.db2.gz HWFKUDRGUZDXGE-WDEREUQCSA-N 0 3 179.238 2.233 10 0 AEAEHN C[C@H](N)[C@H](F)c1ccc(F)cc1 107276499 573467342 /nfs/dbraw/zinc/46/73/42/573467342.db2.gz MKKCBLXFYRSQOF-RCOVLWMOSA-N 0 3 171.190 2.184 10 0 AEAEHN F[C@@H]1CNCC[C@@H]1Cc1ccccc1 107274396 573467356 /nfs/dbraw/zinc/46/73/56/573467356.db2.gz XIFVUJPPJSPIJH-VXGBXAGGSA-N 0 3 193.265 2.177 10 0 AEAEHN C[C@@]1(c2ccccc2)NCC[C@@H]1F 107275164 573467402 /nfs/dbraw/zinc/46/74/02/573467402.db2.gz HWFKUDRGUZDXGE-QWRGUYRKSA-N 0 3 179.238 2.233 10 0 AEAEHN C[C@@H](N)[C@H](F)c1ccc(F)cc1 107276502 573467553 /nfs/dbraw/zinc/46/75/53/573467553.db2.gz MKKCBLXFYRSQOF-MUWHJKNJSA-N 0 3 171.190 2.184 10 0 AEAEHN CCCc1c([C@H](C)NC)cnn1CC 257815560 573467571 /nfs/dbraw/zinc/46/75/71/573467571.db2.gz CYRQBMDCWJOEIF-VIFPVBQESA-N 0 3 195.310 2.136 10 0 AEAEHN CCC(CC)[C@H](C)C[C@@H]1COCCN1 308584139 573472091 /nfs/dbraw/zinc/47/20/91/573472091.db2.gz LFWDEZMMHLPJPI-ZYHUDNBSSA-N 0 3 199.338 2.437 10 0 AEAEHN CC(C)(N)[C@@](C)(F)c1ccccc1O 257820736 573472254 /nfs/dbraw/zinc/47/22/54/573472254.db2.gz FWSJJJSJAYNKFW-NSHDSACASA-N 0 3 197.253 2.314 10 0 AEAEHN C[C@H]1CN=C(N[C@@H]2CC2(C)C)SC1 83386940 573472878 /nfs/dbraw/zinc/47/28/78/573472878.db2.gz NWCYXMUZNRNOPL-JGVFFNPUSA-N 0 3 198.335 2.113 10 0 AEAEHN N[C@@H]1Cc2cccc(Br)c21 257819468 573480667 /nfs/dbraw/zinc/48/06/67/573480667.db2.gz FLAPSKDRYTVKCP-SSDOTTSWSA-N 0 3 198.063 2.005 10 0 AEAEHN CC[C@H](N[C@H]1CC[C@@H]1C)c1ncc[nH]1 308596288 573480868 /nfs/dbraw/zinc/48/08/68/573480868.db2.gz MQTNJLKHUDSPBB-GUBZILKMSA-N 0 3 193.294 2.249 10 0 AEAEHN CCOc1ccc([C@@H](F)CNC)cc1 257819134 573483702 /nfs/dbraw/zinc/48/37/02/573483702.db2.gz CZSVVLSOZMQNCS-NSHDSACASA-N 0 3 197.253 2.315 10 0 AEAEHN C[C@H](N)c1cc(C(C)(C)C)ccn1 238415673 573483984 /nfs/dbraw/zinc/48/39/84/573483984.db2.gz VEPUMDDXHDMPBN-QMMMGPOBSA-N 0 3 178.279 2.399 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccccc1Cl 86575817 573496140 /nfs/dbraw/zinc/49/61/40/573496140.db2.gz IKCOBDWLRNPRFM-XVKPBYJWSA-N 0 3 199.681 2.375 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cc(C)cc(C)c1 86575753 573495477 /nfs/dbraw/zinc/49/54/77/573495477.db2.gz WYSPISPNPJMGBV-ZYHUDNBSSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccc(F)cc1C 86575945 573495621 /nfs/dbraw/zinc/49/56/21/573495621.db2.gz ZIWOSEHCFZLFQG-KCJUWKMLSA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1csc(C)c1 86575776 573496184 /nfs/dbraw/zinc/49/61/84/573496184.db2.gz DAUTWWMKGZWTCQ-CBAPKCEASA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccccc1C 86575715 573496023 /nfs/dbraw/zinc/49/60/23/573496023.db2.gz DJBAGGGTENJXGG-GXSJLCMTSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccc(C)s1 86577061 573502851 /nfs/dbraw/zinc/50/28/51/573502851.db2.gz LYKPHVAADLSFRT-IONNQARKSA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cccc(C)c1C 86576737 573503074 /nfs/dbraw/zinc/50/30/74/573503074.db2.gz YDHVRCAMLQWQJA-JQWIXIFHSA-N 0 3 193.290 2.338 10 0 AEAEHN Cc1ccccc1[C@H]1CCC[C@@H](O)N1 258050209 573503079 /nfs/dbraw/zinc/50/30/79/573503079.db2.gz BHPMIOKUAURCOH-VXGBXAGGSA-N 0 3 191.274 2.128 10 0 AEAEHN C[C@@]1(c2ccco2)CCCCN1 258049096 573503213 /nfs/dbraw/zinc/50/32/13/573503213.db2.gz CZPLYXJQIFOQCN-JTQLQIEISA-N 0 3 165.236 2.268 10 0 AEAEHN C[C@]1(c2ccco2)CCCCN1 258049098 573503227 /nfs/dbraw/zinc/50/32/27/573503227.db2.gz CZPLYXJQIFOQCN-SNVBAGLBSA-N 0 3 165.236 2.268 10 0 AEAEHN CN(Cc1ccc[nH]1)CC(C)(C)C 308398177 573503299 /nfs/dbraw/zinc/50/32/99/573503299.db2.gz FSFIOLPKHDYSOI-UHFFFAOYSA-N 0 3 180.295 2.493 10 0 AEAEHN CCC(CC)CNCc1cnco1 130258648 573503390 /nfs/dbraw/zinc/50/33/90/573503390.db2.gz RCUYDBSGVNCSLC-UHFFFAOYSA-N 0 3 182.267 2.200 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@]2(C)C[C@H]2C)S1 714704294 573503508 /nfs/dbraw/zinc/50/35/08/573503508.db2.gz CCOGFOVJSOYWDE-DOLQZWNJSA-N 0 3 185.336 2.474 10 0 AEAEHN CSc1ccc(O)cc1[C@H]1CCN1 238419549 573504956 /nfs/dbraw/zinc/50/49/56/573504956.db2.gz QIEJMLKBUNLXHR-SECBINFHSA-N 0 3 195.287 2.149 10 0 AEAEHN C[C@@H](N)c1cc(Cl)cc(F)c1N 238420202 573505537 /nfs/dbraw/zinc/50/55/37/573505537.db2.gz JSMDQFIXPRDTDV-SCSAIBSYSA-N 0 3 188.633 2.081 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1ccccc1F 257837104 573606781 /nfs/dbraw/zinc/60/67/81/573606781.db2.gz LIBMWYQMGTXCMM-XVKPBYJWSA-N 0 3 185.217 2.444 10 0 AEAEHN CC1(C)CO[C@@H](Cc2cccs2)N1 258709420 573506611 /nfs/dbraw/zinc/50/66/11/573506611.db2.gz UYVGYZRTFXUGIS-VIFPVBQESA-N 0 3 197.303 2.015 10 0 AEAEHN C[C@H](N)c1cc(F)cc(Cl)c1N 238419877 573506648 /nfs/dbraw/zinc/50/66/48/573506648.db2.gz TZRNCSDKZLPDKT-BYPYZUCNSA-N 0 3 188.633 2.081 10 0 AEAEHN CNC[C@H](F)c1cc(F)ccc1F 257822252 573508025 /nfs/dbraw/zinc/50/80/25/573508025.db2.gz FFSHOLAJCALCKD-VIFPVBQESA-N 0 3 189.180 2.195 10 0 AEAEHN Cc1ccccc1[C@H]1CCC[C@H](O)N1 258050202 573508028 /nfs/dbraw/zinc/50/80/28/573508028.db2.gz BHPMIOKUAURCOH-NEPJUHHUSA-N 0 3 191.274 2.128 10 0 AEAEHN C[C@@H](NCCOC1CC1)c1ccoc1 714961222 573514226 /nfs/dbraw/zinc/51/42/26/573514226.db2.gz SMROWHDPRVICQG-SECBINFHSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@@]1(C)CNC[C@H](c2ccco2)O1 83460127 573514327 /nfs/dbraw/zinc/51/43/27/573514327.db2.gz HWOORGIONHIMRS-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN Cc1ccc([C@@H]2CNCC(C)(C)O2)o1 83459852 573514349 /nfs/dbraw/zinc/51/43/49/573514349.db2.gz WIQMFWLODHJOSS-JTQLQIEISA-N 0 3 195.262 2.028 10 0 AEAEHN CSC[C@H](N)c1csc(C)c1 83451902 573514409 /nfs/dbraw/zinc/51/44/09/573514409.db2.gz MSEWYBHBBUJZDM-QMMMGPOBSA-N 0 3 187.333 2.419 10 0 AEAEHN CSC[C@@H](N)c1ccsc1 83451892 573514467 /nfs/dbraw/zinc/51/44/67/573514467.db2.gz JOROJIJHBPWZMZ-SSDOTTSWSA-N 0 3 173.306 2.111 10 0 AEAEHN C[C@@H]1N[C@H](c2ccccc2)OC1(C)C 238422552 573514567 /nfs/dbraw/zinc/51/45/67/573514567.db2.gz LOQKXCTUIGJROU-ONGXEEELSA-N 0 3 191.274 2.472 10 0 AEAEHN CNc1nc(CCC(C)C)c(C)[nH]1 258727371 573514572 /nfs/dbraw/zinc/51/45/72/573514572.db2.gz IRZMXZYLNCBXNN-UHFFFAOYSA-N 0 3 181.283 2.348 10 0 AEAEHN CNc1nc(C)c(CCC(C)C)[nH]1 258727371 573514579 /nfs/dbraw/zinc/51/45/79/573514579.db2.gz IRZMXZYLNCBXNN-UHFFFAOYSA-N 0 3 181.283 2.348 10 0 AEAEHN C[C@@H]1NCC(C)(C)O[C@@H]1c1ccco1 83459983 573514711 /nfs/dbraw/zinc/51/47/11/573514711.db2.gz QUKIOSLXPRRZSS-WPRPVWTQSA-N 0 3 195.262 2.108 10 0 AEAEHN C[NH2+][C@H](C)C[C@H](F)c1ccccc1[O-] 257826836 573522101 /nfs/dbraw/zinc/52/21/01/573522101.db2.gz HSGXDXCSWNXDEV-SCZZXKLOSA-N 0 3 197.253 2.401 10 0 AEAEHN C[C@H](N)c1ccc(Cl)c(Cl)n1 238426027 573522135 /nfs/dbraw/zinc/52/21/35/573522135.db2.gz BAHZGXMCOQBYPA-BYPYZUCNSA-N 0 3 191.061 2.408 10 0 AEAEHN CC(C)(C)c1ncc2ccc(O)cn12 258057397 573522167 /nfs/dbraw/zinc/52/21/67/573522167.db2.gz UFPFWTYVEWAOTN-UHFFFAOYSA-N 0 3 190.246 2.337 10 0 AEAEHN Cc1cncnc1[C@H](N)CCC(C)C 74247555 573522172 /nfs/dbraw/zinc/52/21/72/573522172.db2.gz RTGRJPZZHUBRLR-SNVBAGLBSA-N 0 3 193.294 2.221 10 0 AEAEHN C[C@H]1CNCC2(CCCCCCC2)O1 83471970 573521446 /nfs/dbraw/zinc/52/14/46/573521446.db2.gz KGPRVSOCMSZMGN-NSHDSACASA-N 0 3 197.322 2.478 10 0 AEAEHN CC[C@@H]1CCCC[C@]12CNC[C@H](C)O2 83471634 573521747 /nfs/dbraw/zinc/52/17/47/573521747.db2.gz HKOTTXIYLWLNLR-TUAOUCFPSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CNC[C@@](C)(C2CCCCC2)O1 83471470 573521780 /nfs/dbraw/zinc/52/17/80/573521780.db2.gz GMJJPTOBLDBGAF-PWSUYJOCSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CC(C)(C)C[C@]2(CNCCO2)C1 83471235 573521840 /nfs/dbraw/zinc/52/18/40/573521840.db2.gz VHGNEWFTVOLWRH-PWSUYJOCSA-N 0 3 197.322 2.191 10 0 AEAEHN CC[C@@H]1CNCC2(CCCCCC2)O1 83470818 573521913 /nfs/dbraw/zinc/52/19/13/573521913.db2.gz GOIDYNYBLDHNFA-LLVKDONJSA-N 0 3 197.322 2.478 10 0 AEAEHN CC1(C)CCC[C@]2(CC1)CNCCO2 83471225 573521921 /nfs/dbraw/zinc/52/19/21/573521921.db2.gz SLLNGYPQPWKFKF-LBPRGKRZSA-N 0 3 197.322 2.335 10 0 AEAEHN Cc1ncncc1[C@H](N)CCC(C)C 74247545 573521985 /nfs/dbraw/zinc/52/19/85/573521985.db2.gz DZOJFUXQPIOKEZ-LLVKDONJSA-N 0 3 193.294 2.221 10 0 AEAEHN CCCC(=O)CN1CCC[C@@H](C)[C@@H]1C 50565878 573522284 /nfs/dbraw/zinc/52/22/84/573522284.db2.gz DTRIRYIKWTZQHA-MNOVXSKESA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H]1CNC[C@]2(CCC[C@H](C)C2)O1 83469103 573522348 /nfs/dbraw/zinc/52/23/48/573522348.db2.gz JRJDWFJITXRTTE-QJPTWQEYSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1ccc2c(c1)C[C@@](F)(CN)CC2 257826762 573522363 /nfs/dbraw/zinc/52/23/63/573522363.db2.gz HPJMIMHOGGQDIA-GFCCVEGCSA-N 0 3 193.265 2.151 10 0 AEAEHN C[C@H]1CC(C)(C)C[C@@]2(CNCCO2)C1 83471240 573522453 /nfs/dbraw/zinc/52/24/53/573522453.db2.gz VHGNEWFTVOLWRH-CMPLNLGQSA-N 0 3 197.322 2.191 10 0 AEAEHN CCc1nc(C)c(CNC2CCC2)o1 308612525 573522733 /nfs/dbraw/zinc/52/27/33/573522733.db2.gz RAQHOAWUCWSOCR-UHFFFAOYSA-N 0 3 194.278 2.188 10 0 AEAEHN CCCn1ncc(C)c1CNC(C)C 308613598 573522751 /nfs/dbraw/zinc/52/27/51/573522751.db2.gz RGHDJISEUWKKOT-UHFFFAOYSA-N 0 3 195.310 2.100 10 0 AEAEHN CC[C@@H]1CCC[C@@]2(CNC[C@H](C)O2)C1 83471855 573522759 /nfs/dbraw/zinc/52/27/59/573522759.db2.gz AMXXOQGBDJGOED-TUAOUCFPSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1COC2(CCC(C)(C)CC2)CN1 83468293 573522840 /nfs/dbraw/zinc/52/28/40/573522840.db2.gz VFJKSIOJFUCJOJ-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC1CCN([C@H](C)C(C)=O)CC1 50894217 573522891 /nfs/dbraw/zinc/52/28/91/573522891.db2.gz QACQYDPYWRFKDK-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@@H]1CNCC2(CCCCCC2)O1 83470771 573522912 /nfs/dbraw/zinc/52/29/12/573522912.db2.gz ULAOFVZEPTVMHS-SNVBAGLBSA-N 0 3 183.295 2.088 10 0 AEAEHN CC(C)(C)c1c[nH]c(C2(N)CCC2)n1 257826785 573523023 /nfs/dbraw/zinc/52/30/23/573523023.db2.gz HQCUIOMAUXGCKJ-UHFFFAOYSA-N 0 3 193.294 2.045 10 0 AEAEHN CC[C@@H]1CNC[C@@]2(CCC[C@H](C)C2)O1 83469107 573523024 /nfs/dbraw/zinc/52/30/24/573523024.db2.gz JRJDWFJITXRTTE-TUAOUCFPSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H]1CCCC[C@@]12CNC[C@H](C)O2 83471631 573523604 /nfs/dbraw/zinc/52/36/04/573523604.db2.gz HKOTTXIYLWLNLR-QJPTWQEYSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC1CCN([C@@H](C)C(C)=O)CC1 50894215 573523625 /nfs/dbraw/zinc/52/36/25/573523625.db2.gz QACQYDPYWRFKDK-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@H]1CNCC2(CCCCCC2)O1 83470773 573523709 /nfs/dbraw/zinc/52/37/09/573523709.db2.gz ULAOFVZEPTVMHS-JTQLQIEISA-N 0 3 183.295 2.088 10 0 AEAEHN C[NH2+][C@@H](C)C[C@H](F)c1ccccc1[O-] 257826838 573523773 /nfs/dbraw/zinc/52/37/73/573523773.db2.gz HSGXDXCSWNXDEV-WPRPVWTQSA-N 0 3 197.253 2.401 10 0 AEAEHN c1ccc2c(c1)NCC[C@@H]2N1CCC1 257823703 573523788 /nfs/dbraw/zinc/52/37/88/573523788.db2.gz GPQYRKRAKKUNMT-LBPRGKRZSA-N 0 3 188.274 2.249 10 0 AEAEHN C[C@H]1COC2(CCC(C)(C)CC2)CN1 83468294 573523800 /nfs/dbraw/zinc/52/38/00/573523800.db2.gz VFJKSIOJFUCJOJ-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN C[NH2+][C@H](C)C[C@@H](F)c1ccccc1[O-] 257826835 573523921 /nfs/dbraw/zinc/52/39/21/573523921.db2.gz HSGXDXCSWNXDEV-PSASIEDQSA-N 0 3 197.253 2.401 10 0 AEAEHN CC[C@@H]1CCC[C@]2(CNC[C@H](C)O2)C1 83471851 573524018 /nfs/dbraw/zinc/52/40/18/573524018.db2.gz AMXXOQGBDJGOED-QJPTWQEYSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1ccc2c(c1)C[C@](F)(CN)CC2 257826763 573524022 /nfs/dbraw/zinc/52/40/22/573524022.db2.gz HPJMIMHOGGQDIA-LBPRGKRZSA-N 0 3 193.265 2.151 10 0 AEAEHN CC[C@H]1CCC[C@]2(CC1)CNCCO2 83471449 573524034 /nfs/dbraw/zinc/52/40/34/573524034.db2.gz NCJXYBFRRJUPTL-RYUDHWBXSA-N 0 3 197.322 2.335 10 0 AEAEHN Cc1ncncc1[C@@H](N)CCC(C)C 74247546 573524125 /nfs/dbraw/zinc/52/41/25/573524125.db2.gz DZOJFUXQPIOKEZ-NSHDSACASA-N 0 3 193.294 2.221 10 0 AEAEHN C[C@H]1CC(C)(C)C[C@]2(CNCCO2)C1 83471237 573524140 /nfs/dbraw/zinc/52/41/40/573524140.db2.gz VHGNEWFTVOLWRH-JQWIXIFHSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@@H]1CNCC2(CCC(C)(C)CC2)O1 83468296 573524161 /nfs/dbraw/zinc/52/41/61/573524161.db2.gz YVVCMZQCDXSLFX-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CC(C)(C)C[C@@]2(CNCCO2)C1 83471239 573524238 /nfs/dbraw/zinc/52/42/38/573524238.db2.gz VHGNEWFTVOLWRH-ZYHUDNBSSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@H]1CNC[C@@](C)(C2CCCCC2)O1 83471473 573524255 /nfs/dbraw/zinc/52/42/55/573524255.db2.gz GMJJPTOBLDBGAF-JQWIXIFHSA-N 0 3 197.322 2.334 10 0 AEAEHN C[NH2+][C@@H](C)C[C@@H](F)c1ccccc1[O-] 257826837 573526534 /nfs/dbraw/zinc/52/65/34/573526534.db2.gz HSGXDXCSWNXDEV-WCBMZHEXSA-N 0 3 197.253 2.401 10 0 AEAEHN CCC(CC)[C@@H]1CNCC(C)(C)O1 83473026 573526540 /nfs/dbraw/zinc/52/65/40/573526540.db2.gz ZPNSCJYCKZZOCK-JTQLQIEISA-N 0 3 185.311 2.190 10 0 AEAEHN C[C@H]1CNC[C@]2(CCCC(C)(C)C2)O1 83472079 573526579 /nfs/dbraw/zinc/52/65/79/573526579.db2.gz TVVDWUBGMQISJT-CMPLNLGQSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(C)CC[C@@]1(C)CNC[C@H](C)O1 83472064 573526629 /nfs/dbraw/zinc/52/66/29/573526629.db2.gz PBRHVTILVJMWSC-QWRGUYRKSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@@](C)(CC(C)C)O1 83472208 573526880 /nfs/dbraw/zinc/52/68/80/573526880.db2.gz QBPULEPIOVJIOC-GHMZBOCLSA-N 0 3 185.311 2.190 10 0 AEAEHN CCSC[C@H](N)c1ccoc1 83485277 573526899 /nfs/dbraw/zinc/52/68/99/573526899.db2.gz GFFBRTRVEAJBOP-QMMMGPOBSA-N 0 3 171.265 2.033 10 0 AEAEHN CC1(C)CNC[C@H](C2CCCCC2)O1 83473134 573527056 /nfs/dbraw/zinc/52/70/56/573527056.db2.gz XMOYNKKAJNACRD-LLVKDONJSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H]1CNCC2(C[C@H](C)C[C@@H](C)C2)O1 83472041 573527071 /nfs/dbraw/zinc/52/70/71/573527071.db2.gz UPLLJPITPQSNEH-MXWKQRLJSA-N 0 3 197.322 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@](C)(CC(C)C)O1 83472212 573527114 /nfs/dbraw/zinc/52/71/14/573527114.db2.gz QBPULEPIOVJIOC-MNOVXSKESA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@H]1CNC[C@H](C2CCCCC2)O1 83472670 573527121 /nfs/dbraw/zinc/52/71/21/573527121.db2.gz UQPYEBKHVSTGAE-NWDGAFQWSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H]1CNC[C@](C)(C2CCCC2)O1 83472532 573527290 /nfs/dbraw/zinc/52/72/90/573527290.db2.gz XKFYSIRWBBYTLX-VXGBXAGGSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1ccc(Cl)nc1[C@H](C)N 238436696 573544924 /nfs/dbraw/zinc/54/49/24/573544924.db2.gz FHMVPOAXMBQBBI-LURJTMIESA-N 0 3 170.643 2.063 10 0 AEAEHN CC(C)(N)[C@H](F)c1ccccc1O 257824469 573544321 /nfs/dbraw/zinc/54/43/21/573544321.db2.gz GVNLLPGIUDVOHE-SECBINFHSA-N 0 3 183.226 2.140 10 0 AEAEHN CC(C)(N)[C@@H](F)c1ccccc1O 257824470 573544345 /nfs/dbraw/zinc/54/43/45/573544345.db2.gz GVNLLPGIUDVOHE-VIFPVBQESA-N 0 3 183.226 2.140 10 0 AEAEHN CC[C@@H](CCOC)NCc1ccoc1 308627628 573544513 /nfs/dbraw/zinc/54/45/13/573544513.db2.gz XIVLGYNHFYMFPD-NSHDSACASA-N 0 3 197.278 2.184 10 0 AEAEHN CNC[C@H](F)c1ccc(F)cc1C 257824907 573544552 /nfs/dbraw/zinc/54/45/52/573544552.db2.gz GHFARWJRCVRMAL-JTQLQIEISA-N 0 3 185.217 2.364 10 0 AEAEHN CC1(C)CC(=O)CCN1C1CCCC1 259499923 573544619 /nfs/dbraw/zinc/54/46/19/573544619.db2.gz SWTTVBPIUFJIOJ-UHFFFAOYSA-N 0 3 195.306 2.373 10 0 AEAEHN CNCc1onc2cc(Cl)ccc12 257825310 573544686 /nfs/dbraw/zinc/54/46/86/573544686.db2.gz HDYHORQJWBGJSH-UHFFFAOYSA-N 0 3 196.637 2.201 10 0 AEAEHN CNC[C@@H](F)c1ccc(F)cc1C 257824908 573544779 /nfs/dbraw/zinc/54/47/79/573544779.db2.gz GHFARWJRCVRMAL-SNVBAGLBSA-N 0 3 185.217 2.364 10 0 AEAEHN FC(F)(C1CCC1)[C@H]1CCCN1 257830214 573556422 /nfs/dbraw/zinc/55/64/22/573556422.db2.gz JDXZEBIMYDNWQU-MRVPVSSYSA-N 0 3 175.222 2.174 10 0 AEAEHN C[C@H](N)c1cccc(C(F)(F)F)n1 95705705 573555729 /nfs/dbraw/zinc/55/57/29/573555729.db2.gz FZDWTYLPDDKVAA-YFKPBYRVSA-N 0 3 190.168 2.120 10 0 AEAEHN c1occ2c1CC[C@H]2NC1CC1 107401364 573567707 /nfs/dbraw/zinc/56/77/07/573567707.db2.gz PDKPJKWYTZNIFX-SNVBAGLBSA-N 0 3 163.220 2.019 10 0 AEAEHN c1cc2c(o1)[C@@H](NC1CC1)CC2 107401360 573567105 /nfs/dbraw/zinc/56/71/05/573567105.db2.gz YQTNVFAPVVQIQT-VIFPVBQESA-N 0 3 163.220 2.019 10 0 AEAEHN c1ccc2c(c1)CN1C[C@@H]3C[C@@H]3[C@H]21 257831393 573567455 /nfs/dbraw/zinc/56/74/55/573567455.db2.gz JPYIRACNWAUDPJ-DLOVCJGASA-N 0 3 171.243 2.193 10 0 AEAEHN CNCc1cnoc1C1CCCCC1 83630937 573575572 /nfs/dbraw/zinc/57/55/72/573575572.db2.gz LRTRBUKZYRMXMM-UHFFFAOYSA-N 0 3 194.278 2.442 10 0 AEAEHN N[C@@H](CC1CC1)c1ccoc1 78677481 573575102 /nfs/dbraw/zinc/57/51/02/573575102.db2.gz SKDUSORGBIFWMH-VIFPVBQESA-N 0 3 151.209 2.080 10 0 AEAEHN Cc1cccc([C@H](N)CC2CC2)n1 78677813 573575399 /nfs/dbraw/zinc/57/53/99/573575399.db2.gz HTTXLHIUPCLPQT-SNVBAGLBSA-N 0 3 176.263 2.190 10 0 AEAEHN C[C@H]([NH2+]C(C)(C)C)c1ccc([O-])cn1 145274389 573575432 /nfs/dbraw/zinc/57/54/32/573575432.db2.gz AZILZWLDSJMEPY-QMMMGPOBSA-N 0 3 194.278 2.236 10 0 AEAEHN [NH3+]C1(Cc2ccc([O-])c(Cl)c2)CC1 258065021 573575502 /nfs/dbraw/zinc/57/55/02/573575502.db2.gz LVDSPASKIUFQAP-UHFFFAOYSA-N 0 3 197.665 2.079 10 0 AEAEHN CC(C)(F)Oc1ccc2c(c1)CNC2 258063596 573589281 /nfs/dbraw/zinc/58/92/81/573589281.db2.gz PWOVLJKESUOFJZ-UHFFFAOYSA-N 0 3 195.237 2.374 10 0 AEAEHN COc1ccc([C@H](F)[C@H]2CCN2)cc1 257833673 573588891 /nfs/dbraw/zinc/58/88/91/573588891.db2.gz KBQGARCOAOJZER-MNOVXSKESA-N 0 3 195.237 2.068 10 0 AEAEHN C[C@H]1Sc2cc(F)ccc2[C@@H]1N 107415662 573589038 /nfs/dbraw/zinc/58/90/38/573589038.db2.gz AYIYUPFIEZFXGM-MLUIRONXSA-N 0 3 183.251 2.320 10 0 AEAEHN C[C@@H]1Cc2c(F)ccc(F)c2[C@@H]1N 86718361 573589066 /nfs/dbraw/zinc/58/90/66/573589066.db2.gz FALNIXYGKVKFCC-GPXNAGAYSA-N 0 3 183.201 2.157 10 0 AEAEHN C[C@@H]1Sc2cc(F)ccc2[C@H]1N 107415660 573589136 /nfs/dbraw/zinc/58/91/36/573589136.db2.gz AYIYUPFIEZFXGM-CDUCUWFYSA-N 0 3 183.251 2.320 10 0 AEAEHN Cc1ccc2cc([C@H](N)O)ccc2c1 259524432 573597382 /nfs/dbraw/zinc/59/73/82/573597382.db2.gz SJDKHNWVOIOWBL-GFCCVEGCSA-N 0 3 187.242 2.098 10 0 AEAEHN Cc1cccc([C@H](N)[C@H]2CCCO2)c1 83711987 573597062 /nfs/dbraw/zinc/59/70/62/573597062.db2.gz SOHBOEHGBMYHKP-NEPJUHHUSA-N 0 3 191.274 2.174 10 0 AEAEHN C[C@H](N)[C@H](F)Cc1cccc(F)c1 257836204 573597138 /nfs/dbraw/zinc/59/71/38/573597138.db2.gz KZKPKMGHFVEVBB-OIBJUYFYSA-N 0 3 185.217 2.054 10 0 AEAEHN Cc1ccccc1[C@@H](N)[C@H]1CCCO1 83712186 573597264 /nfs/dbraw/zinc/59/72/64/573597264.db2.gz NMTCTBZXDRUXAQ-VXGBXAGGSA-N 0 3 191.274 2.174 10 0 AEAEHN CN[C@H](C)c1onc2cc(F)ccc12 257835952 573599779 /nfs/dbraw/zinc/59/97/79/573599779.db2.gz KRCHQROHZMAXGC-ZCFIWIBFSA-N 0 3 194.209 2.247 10 0 AEAEHN C[C@@H](N)[C@H](F)Cc1cccc(F)c1 257836202 573599383 /nfs/dbraw/zinc/59/93/83/573599383.db2.gz KZKPKMGHFVEVBB-GMSGAONNSA-N 0 3 185.217 2.054 10 0 AEAEHN COc1ccc2c(c1)S[C@H](C)[C@H]2N 107430729 573599672 /nfs/dbraw/zinc/59/96/72/573599672.db2.gz VDDRAAFRFAFPNB-LHLIQPBNSA-N 0 3 195.287 2.189 10 0 AEAEHN N[C@@H](c1ccccc1F)[C@@H]1CCCO1 83712110 573599718 /nfs/dbraw/zinc/59/97/18/573599718.db2.gz VJSBMWVKSBJTFE-QWRGUYRKSA-N 0 3 195.237 2.005 10 0 AEAEHN CNC[C@@](C)(F)c1ccc(O)cc1C 257836189 573599750 /nfs/dbraw/zinc/59/97/50/573599750.db2.gz LZXWYWZFIPQIFJ-LLVKDONJSA-N 0 3 197.253 2.105 10 0 AEAEHN C[C@]1(c2ccc(F)cc2)C[C@@H](F)CN1 257837519 573613613 /nfs/dbraw/zinc/61/36/13/573613613.db2.gz ASMMEAIDCPHJPZ-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN CC(C)C1([C@@H]2CNC[C@@H](C)O2)CCC1 686125861 573613051 /nfs/dbraw/zinc/61/30/51/573613051.db2.gz JVZAKCTXQPKMJT-MNOVXSKESA-N 0 3 197.322 2.190 10 0 AEAEHN C[C@@H]1CCC[C@@H](c2ccco2)N1 83739722 573613081 /nfs/dbraw/zinc/61/30/81/573613081.db2.gz OAXNDNZPVUKLES-BDAKNGLRSA-N 0 3 165.236 2.483 10 0 AEAEHN C[C@@]1(c2ccc(F)cc2)C[C@H](F)CN1 257837523 573613303 /nfs/dbraw/zinc/61/33/03/573613303.db2.gz ASMMEAIDCPHJPZ-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@@]1(c2ccc(F)cc2)C[C@@H](F)CN1 257837521 573614394 /nfs/dbraw/zinc/61/43/94/573614394.db2.gz ASMMEAIDCPHJPZ-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@]1(c2ccc(F)cc2)C[C@H](F)CN1 257837525 573614459 /nfs/dbraw/zinc/61/44/59/573614459.db2.gz ASMMEAIDCPHJPZ-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN C/C(=C/c1ccc([O-])c(F)c1)[C@@H](C)[NH3+] 308408001 573616340 /nfs/dbraw/zinc/61/63/40/573616340.db2.gz CAFPSIINJZCDKH-GRKOMRHMSA-N 0 3 195.237 2.282 10 0 AEAEHN Cc1ccc2c(c1)[C@H](C)N[C@@H](C)CO2 238451197 573617313 /nfs/dbraw/zinc/61/73/13/573617313.db2.gz XNCHFQRXXSSGFT-UWVGGRQHSA-N 0 3 191.274 2.427 10 0 AEAEHN C[C@H]1COc2ccc(F)cc2[C@H](C)N1 238451365 573616756 /nfs/dbraw/zinc/61/67/56/573616756.db2.gz WEPMBTBNUITQBD-YUMQZZPRSA-N 0 3 195.237 2.257 10 0 AEAEHN CCC(C)(C)C(=O)CN1CCC[C@H]1C 308658659 573621729 /nfs/dbraw/zinc/62/17/29/573621729.db2.gz OTKVEUYVUWGYDM-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN Cc1oncc1[C@H](C)NC[C@@H]1C[C@H]1C 308643721 573621937 /nfs/dbraw/zinc/62/19/37/573621937.db2.gz GGHLGCLAQZCZLQ-WEDXCCLWSA-N 0 3 194.278 2.290 10 0 AEAEHN CNC[C@@H](F)c1ccc(Cl)o1 257834034 573622209 /nfs/dbraw/zinc/62/22/09/573622209.db2.gz LEXLAGDZEZFHFK-RXMQYKEDSA-N 0 3 177.606 2.163 10 0 AEAEHN CNC[C@@](C)(F)c1ccc(C)s1 257834029 573625277 /nfs/dbraw/zinc/62/52/77/573625277.db2.gz LENOTDKMGUNGNS-SECBINFHSA-N 0 3 187.283 2.461 10 0 AEAEHN Oc1cccc2c1CC[C@@H]2N1CCC1 257837918 573625503 /nfs/dbraw/zinc/62/55/03/573625503.db2.gz LDOHCEZHNICDOX-NSHDSACASA-N 0 3 189.258 2.085 10 0 AEAEHN Oc1cccc2c1CC[C@H]2N1CCC1 257837917 573625657 /nfs/dbraw/zinc/62/56/57/573625657.db2.gz LDOHCEZHNICDOX-LLVKDONJSA-N 0 3 189.258 2.085 10 0 AEAEHN CNC[C@](C)(F)c1ccc(C)s1 257834030 573625685 /nfs/dbraw/zinc/62/56/85/573625685.db2.gz LENOTDKMGUNGNS-VIFPVBQESA-N 0 3 187.283 2.461 10 0 AEAEHN CN[C@H](C)[C@H](F)c1cccc(F)c1 257834263 573627429 /nfs/dbraw/zinc/62/74/29/573627429.db2.gz KREOUTAWJNSXBG-XCBNKYQSSA-N 0 3 185.217 2.444 10 0 AEAEHN CCC[C@@H](N)C(=O)C1CC2(CCC2)C1 717513134 573627489 /nfs/dbraw/zinc/62/74/89/573627489.db2.gz ABYVVQVTCYOUFH-SNVBAGLBSA-N 0 3 195.306 2.263 10 0 AEAEHN NCc1c[nH]c(C2CCCCCC2)n1 83780018 573628765 /nfs/dbraw/zinc/62/87/65/573628765.db2.gz RCAJETAYSRLEKJ-UHFFFAOYSA-N 0 3 193.294 2.306 10 0 AEAEHN CN1CC=C(c2ccccc2O)CC1 75579286 573628341 /nfs/dbraw/zinc/62/83/41/573628341.db2.gz SNJQLWHKQHGFFU-UHFFFAOYSA-N 0 3 189.258 2.111 10 0 AEAEHN Cc1cc(F)c(F)c([C@H](C)N)c1 258072570 573629865 /nfs/dbraw/zinc/62/98/65/573629865.db2.gz UQFXNBOZMLFSQJ-LURJTMIESA-N 0 3 171.190 2.293 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1cccc(F)c1 257834259 573629965 /nfs/dbraw/zinc/62/99/65/573629965.db2.gz KREOUTAWJNSXBG-GMSGAONNSA-N 0 3 185.217 2.444 10 0 AEAEHN C1=CO[C@H](CNCc2ccoc2)CC1 130638174 573630139 /nfs/dbraw/zinc/63/01/39/573630139.db2.gz DZQNWMSULFXIEV-NSHDSACASA-N 0 3 193.246 2.062 10 0 AEAEHN CN1CCC[C@@H](CC(F)(F)F)C1 259532828 573630317 /nfs/dbraw/zinc/63/03/17/573630317.db2.gz WNGDDVYDVUZXDL-ZETCQYMHSA-N 0 3 181.201 2.281 10 0 AEAEHN CC[C@](C)(N)c1nc(C(C)(C)C)c[nH]1 86810805 573630341 /nfs/dbraw/zinc/63/03/41/573630341.db2.gz IHYSTWPDFJWHMS-NSHDSACASA-N 0 3 195.310 2.291 10 0 AEAEHN Cc1cccc2occ(CN)c12 238460035 573632063 /nfs/dbraw/zinc/63/20/63/573632063.db2.gz JEIPUNJDBKBFDH-UHFFFAOYSA-N 0 3 161.204 2.200 10 0 AEAEHN C[C@]1(C2CCCCCC2)NCCC1=O 258073266 573632078 /nfs/dbraw/zinc/63/20/78/573632078.db2.gz LRBAGWNSVOIDJY-GFCCVEGCSA-N 0 3 195.306 2.278 10 0 AEAEHN COc1cccc2cc(C)nc(N)c12 259535438 573631423 /nfs/dbraw/zinc/63/14/23/573631423.db2.gz BJTPGDPDGAYHAB-UHFFFAOYSA-N 0 3 188.230 2.134 10 0 AEAEHN CCc1cccnc1[C@@H](N)C(C)C 96554668 573631469 /nfs/dbraw/zinc/63/14/69/573631469.db2.gz LQHLAYUMAQBYAR-JTQLQIEISA-N 0 3 178.279 2.300 10 0 AEAEHN CC[C@](C)(N)c1nc(C(C)C)c[nH]1 86810777 573631486 /nfs/dbraw/zinc/63/14/86/573631486.db2.gz LCWOZXKPUOZENP-JTQLQIEISA-N 0 3 181.283 2.117 10 0 AEAEHN CCc1cccnc1[C@H](N)C(C)C 96554665 573631573 /nfs/dbraw/zinc/63/15/73/573631573.db2.gz LQHLAYUMAQBYAR-SNVBAGLBSA-N 0 3 178.279 2.300 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1cccc(F)c1 257834261 573631597 /nfs/dbraw/zinc/63/15/97/573631597.db2.gz KREOUTAWJNSXBG-OIBJUYFYSA-N 0 3 185.217 2.444 10 0 AEAEHN CC[C@@](C)(N)c1nc(C(C)(C)C)c[nH]1 86810807 573631699 /nfs/dbraw/zinc/63/16/99/573631699.db2.gz IHYSTWPDFJWHMS-LLVKDONJSA-N 0 3 195.310 2.291 10 0 AEAEHN Cc1ncc(C(F)F)c(CN)c1C 238459984 573631734 /nfs/dbraw/zinc/63/17/34/573631734.db2.gz AAWNEAGZTKPQCE-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CC(C)c1c(CN)cnn1C(C)(C)C 257835051 573634522 /nfs/dbraw/zinc/63/45/22/573634522.db2.gz KNFUPHJLERHTKT-UHFFFAOYSA-N 0 3 195.310 2.220 10 0 AEAEHN CNCc1c[nH]c([C@@H]2CC[C@@H](C)C2)n1 83790698 573634667 /nfs/dbraw/zinc/63/46/67/573634667.db2.gz UNHWMUSRGMPXTQ-RKDXNWHRSA-N 0 3 193.294 2.033 10 0 AEAEHN CNCc1cnc([C@@H]2CC[C@@H](C)C2)[nH]1 83790698 573634673 /nfs/dbraw/zinc/63/46/73/573634673.db2.gz UNHWMUSRGMPXTQ-RKDXNWHRSA-N 0 3 193.294 2.033 10 0 AEAEHN CCc1cccnc1[C@H](N)C1CC1 96554675 573634724 /nfs/dbraw/zinc/63/47/24/573634724.db2.gz ZQOPJUOUSGETIW-SNVBAGLBSA-N 0 3 176.263 2.054 10 0 AEAEHN CCc1cccnc1[C@@H](N)CC 96554663 573634857 /nfs/dbraw/zinc/63/48/57/573634857.db2.gz MYROKVWHIKMMHO-VIFPVBQESA-N 0 3 164.252 2.054 10 0 AEAEHN CCc1cc(C2(N)CC2)c(F)cc1F 258072794 573635924 /nfs/dbraw/zinc/63/59/24/573635924.db2.gz MJXMECWBHVFDFQ-UHFFFAOYSA-N 0 3 197.228 2.475 10 0 AEAEHN CNCc1c[nH]c([C@H]2CC[C@H](C)C2)n1 83790695 573636022 /nfs/dbraw/zinc/63/60/22/573636022.db2.gz UNHWMUSRGMPXTQ-IUCAKERBSA-N 0 3 193.294 2.033 10 0 AEAEHN CNCc1cnc([C@H]2CC[C@H](C)C2)[nH]1 83790695 573636025 /nfs/dbraw/zinc/63/60/25/573636025.db2.gz UNHWMUSRGMPXTQ-IUCAKERBSA-N 0 3 193.294 2.033 10 0 AEAEHN CC(C)c1cc(CN)nn1C1CCC1 259535582 573636353 /nfs/dbraw/zinc/63/63/53/573636353.db2.gz BKUWWQQNUANDQA-UHFFFAOYSA-N 0 3 193.294 2.190 10 0 AEAEHN c1cc(NCCC2CC2)ccn1 78814640 573636414 /nfs/dbraw/zinc/63/64/14/573636414.db2.gz NUDNEGQJRMZYRE-UHFFFAOYSA-N 0 3 162.236 2.294 10 0 AEAEHN O=Cc1ccccc1[C@H]1CCCCN1 257835003 573636473 /nfs/dbraw/zinc/63/64/73/573636473.db2.gz KLWLWCGUEWNZMJ-GFCCVEGCSA-N 0 3 189.258 2.314 10 0 AEAEHN CCn1c(CN)cc2ccc(F)cc21 257834626 573636525 /nfs/dbraw/zinc/63/65/25/573636525.db2.gz AHLNSHOOQPAVCR-UHFFFAOYSA-N 0 3 192.237 2.259 10 0 AEAEHN CN[C@H]1c2cc(F)ccc2OC[C@@H]1C 35753460 573637916 /nfs/dbraw/zinc/63/79/16/573637916.db2.gz ZDNMRSHCMCNMPF-WRWORJQWSA-N 0 3 195.237 2.115 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](C)N[C@H](C)CO2 238461269 573637335 /nfs/dbraw/zinc/63/73/35/573637335.db2.gz XNCHFQRXXSSGFT-NXEZZACHSA-N 0 3 191.274 2.427 10 0 AEAEHN CN[C@@H]1c2cc(F)ccc2OC[C@H]1C 35753462 573640091 /nfs/dbraw/zinc/64/00/91/573640091.db2.gz ZDNMRSHCMCNMPF-HQJQHLMTSA-N 0 3 195.237 2.115 10 0 AEAEHN Cc1cccc2c1O[C@H](C)C[C@H]2N 35749173 573640819 /nfs/dbraw/zinc/64/08/19/573640819.db2.gz GLDFMECPJQXHLY-PSASIEDQSA-N 0 3 177.247 2.166 10 0 AEAEHN NCc1cnc(C2CCC2)c(Cl)c1 257838746 573642950 /nfs/dbraw/zinc/64/29/50/573642950.db2.gz LMVRKNKEUHZELL-UHFFFAOYSA-N 0 3 196.681 2.461 10 0 AEAEHN NC[C@](F)(CC1CC1)C(F)(F)F 259541133 573647356 /nfs/dbraw/zinc/64/73/56/573647356.db2.gz BTUJBFSUDNXIRT-ZCFIWIBFSA-N 0 3 185.164 2.016 10 0 AEAEHN CCCN(C)[C@H](c1ccco1)[C@@H](C)N 43334743 573647515 /nfs/dbraw/zinc/64/75/15/573647515.db2.gz CEQYZDCXYOANMN-KOLCDFICSA-N 0 3 196.294 2.010 10 0 AEAEHN CN[C@H](c1ccoc1)[C@@H]1C[C@@H]1C 83808952 573647609 /nfs/dbraw/zinc/64/76/09/573647609.db2.gz MIBQANMWIZOBHY-FXBDTBDDSA-N 0 3 165.236 2.196 10 0 AEAEHN CN[C@H](c1ccoc1)[C@@H]1C[C@H]1C 83808951 573647777 /nfs/dbraw/zinc/64/77/77/573647777.db2.gz MIBQANMWIZOBHY-SZEHBUNVSA-N 0 3 165.236 2.196 10 0 AEAEHN C[C@@H](N)c1nocc1-c1ccccc1 257840088 573647814 /nfs/dbraw/zinc/64/78/14/573647814.db2.gz NNTHQWITGWYAGN-MRVPVSSYSA-N 0 3 188.230 2.361 10 0 AEAEHN Cc1c(Cl)ccc2c1[C@@H](N)CCO2 238466537 573648720 /nfs/dbraw/zinc/64/87/20/573648720.db2.gz GMXDAVWBZBRXDL-QMMMGPOBSA-N 0 3 197.665 2.431 10 0 AEAEHN C[C@@H](CF)NC/C=C/c1ccncc1 308655610 573648837 /nfs/dbraw/zinc/64/88/37/573648837.db2.gz NXXBXQJKRXMGIX-PBKGFPTLSA-N 0 3 194.253 2.042 10 0 AEAEHN CCCN(C)[C@@H](c1ccco1)[C@@H](C)N 43334742 573649020 /nfs/dbraw/zinc/64/90/20/573649020.db2.gz CEQYZDCXYOANMN-MWLCHTKSSA-N 0 3 196.294 2.010 10 0 AEAEHN CC(C)[C@@]1(c2ccccc2O)C[C@@H]1N 257840781 573649081 /nfs/dbraw/zinc/64/90/81/573649081.db2.gz MAFBOBWWSPMORS-NWDGAFQWSA-N 0 3 191.274 2.017 10 0 AEAEHN CNCc1c(C)cc(C)c(C)c1OC 259150866 573649347 /nfs/dbraw/zinc/64/93/47/573649347.db2.gz OAAZYUHDLDCCKO-UHFFFAOYSA-N 0 3 193.290 2.340 10 0 AEAEHN Cc1c(CN)cnc2cc(F)ccc12 257840341 573649353 /nfs/dbraw/zinc/64/93/53/573649353.db2.gz LYSKCRLNGVFBOZ-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN Cc1cccc([C@@H](N)[C@@H](C)O)c1Cl 238457842 573651533 /nfs/dbraw/zinc/65/15/33/573651533.db2.gz MRISUIQYMQDRJU-XCBNKYQSSA-N 0 3 199.681 2.029 10 0 AEAEHN Cc1c(Cl)ccc2c1[C@H](N)CCO2 238466522 573651662 /nfs/dbraw/zinc/65/16/62/573651662.db2.gz GMXDAVWBZBRXDL-MRVPVSSYSA-N 0 3 197.665 2.431 10 0 AEAEHN CC(C)[C@]1(c2ccccc2O)C[C@@H]1N 257840782 573651715 /nfs/dbraw/zinc/65/17/15/573651715.db2.gz MAFBOBWWSPMORS-RYUDHWBXSA-N 0 3 191.274 2.017 10 0 AEAEHN CN[C@H](c1ccoc1)[C@H]1C[C@@H]1C 83808950 573651744 /nfs/dbraw/zinc/65/17/44/573651744.db2.gz MIBQANMWIZOBHY-UJNFCWOMSA-N 0 3 165.236 2.196 10 0 AEAEHN C[C@H](CF)NC/C=C\c1ccncc1 308655609 573651859 /nfs/dbraw/zinc/65/18/59/573651859.db2.gz NXXBXQJKRXMGIX-MXQLGCADSA-N 0 3 194.253 2.042 10 0 AEAEHN CCn1cc(CSC(C)C)nc1N 258075266 573651925 /nfs/dbraw/zinc/65/19/25/573651925.db2.gz HEETZLGIGWRXHG-UHFFFAOYSA-N 0 3 199.323 2.127 10 0 AEAEHN Nc1cccc2c1[C@@H](N)c1ccccc1-2 33756018 573651989 /nfs/dbraw/zinc/65/19/89/573651989.db2.gz SKKKJNPBIGQNEJ-ZDUSSCGKSA-N 0 3 196.253 2.297 10 0 AEAEHN C/C=C\CN1CC[C@H](C(F)F)C1 388473564 573652205 /nfs/dbraw/zinc/65/22/05/573652205.db2.gz PHDZZSQSNVUBJR-KZUAUGPASA-N 0 3 175.222 2.150 10 0 AEAEHN Cc1c(Cl)ccc2c1CNC2 238466357 573652158 /nfs/dbraw/zinc/65/21/58/573652158.db2.gz OBUGRDYBDZVIPC-UHFFFAOYSA-N 0 3 167.639 2.252 10 0 AEAEHN NC[C@H](OC1CCCC1)c1ccco1 43336542 573652919 /nfs/dbraw/zinc/65/29/19/573652919.db2.gz YZMQACXISPSXAJ-NSHDSACASA-N 0 3 195.262 2.239 10 0 AEAEHN [NH3+]Cc1cc([O-])c2c(F)cccc2c1 257842144 573653120 /nfs/dbraw/zinc/65/31/20/573653120.db2.gz MNMOMEYMEUGDCK-UHFFFAOYSA-N 0 3 191.205 2.143 10 0 AEAEHN [NH3+]C/C=C/c1cc([O-])ccc1Cl 258080690 573653295 /nfs/dbraw/zinc/65/32/95/573653295.db2.gz NCOZHVNXJDPWED-OWOJBTEDSA-N 0 3 183.638 2.018 10 0 AEAEHN Cc1cc([C@H]2CCC[NH2+]2)cc([O-])c1F 258080641 573653398 /nfs/dbraw/zinc/65/33/98/573653398.db2.gz NALWYOLVBRLPJI-SECBINFHSA-N 0 3 195.237 2.264 10 0 AEAEHN CNCc1sc([C@H]2C[C@H]2C)nc1C 83810322 573654805 /nfs/dbraw/zinc/65/48/05/573654805.db2.gz NLHJKGFYVCJVFT-SVRRBLITSA-N 0 3 196.319 2.294 10 0 AEAEHN F[C@@H]1CCCN[C@H]1Cc1ccccc1 257845772 573655023 /nfs/dbraw/zinc/65/50/23/573655023.db2.gz NOMLOBKKLRPTKH-NEPJUHHUSA-N 0 3 193.265 2.319 10 0 AEAEHN CCN1CC=C(CC(F)(F)F)C1 258081797 573655089 /nfs/dbraw/zinc/65/50/89/573655089.db2.gz MWGCRWAQGKZLRA-UHFFFAOYSA-N 0 3 179.185 2.201 10 0 AEAEHN CNc1nc(CC2CCCC2)c(C)[nH]1 258844414 573655092 /nfs/dbraw/zinc/65/50/92/573655092.db2.gz QBAJCYLWXTVVHH-UHFFFAOYSA-N 0 3 193.294 2.493 10 0 AEAEHN CNc1nc(C)c(CC2CCCC2)[nH]1 258844414 573655098 /nfs/dbraw/zinc/65/50/98/573655098.db2.gz QBAJCYLWXTVVHH-UHFFFAOYSA-N 0 3 193.294 2.493 10 0 AEAEHN C/C=C\CN1CC[C@@H](C(F)F)C1 388473565 573655218 /nfs/dbraw/zinc/65/52/18/573655218.db2.gz PHDZZSQSNVUBJR-YAJNLLPGSA-N 0 3 175.222 2.150 10 0 AEAEHN F[C@H]1CCCN[C@H]1Cc1ccccc1 257845774 573655391 /nfs/dbraw/zinc/65/53/91/573655391.db2.gz NOMLOBKKLRPTKH-RYUDHWBXSA-N 0 3 193.265 2.319 10 0 AEAEHN CC(C)c1csc2c1[C@H](N)COC2 75627504 573655508 /nfs/dbraw/zinc/65/55/08/573655508.db2.gz XPLAZYBCZOSGIW-MRVPVSSYSA-N 0 3 197.303 2.402 10 0 AEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)OC1 258849726 573657894 /nfs/dbraw/zinc/65/78/94/573657894.db2.gz ZWQBRFZEVBIHMM-ZYHUDNBSSA-N 0 3 191.274 2.115 10 0 AEAEHN CCCCO[C@@H](c1ccco1)[C@@H](C)N 43337765 573657916 /nfs/dbraw/zinc/65/79/16/573657916.db2.gz KQRCAWFHWBSQTH-MWLCHTKSSA-N 0 3 197.278 2.485 10 0 AEAEHN N[C@@H]1COCc2scc(C3CC3)c21 75627510 573657315 /nfs/dbraw/zinc/65/73/15/573657315.db2.gz VXBHHDXYIMLBGY-MRVPVSSYSA-N 0 3 195.287 2.156 10 0 AEAEHN CCc1nc(N)[nH]c1[C@H]1CCCS1 257842075 573657436 /nfs/dbraw/zinc/65/74/36/573657436.db2.gz CALDVEZTAAVZGP-SSDOTTSWSA-N 0 3 197.307 2.122 10 0 AEAEHN CC(C)c1cn2c(n1)[C@H](N)C[C@@H](C)C2 107826999 573657449 /nfs/dbraw/zinc/65/74/49/573657449.db2.gz VSFYVSYOOHBFJX-RKDXNWHRSA-N 0 3 193.294 2.046 10 0 AEAEHN Cc1nc([C@H]2C[C@@H]2C)sc1CN 83810314 573657495 /nfs/dbraw/zinc/65/74/95/573657495.db2.gz VLWUTAQAMUACES-FSPLSTOPSA-N 0 3 182.292 2.034 10 0 AEAEHN CCCCO[C@@H](c1ccco1)[C@H](C)N 43337767 573657739 /nfs/dbraw/zinc/65/77/39/573657739.db2.gz KQRCAWFHWBSQTH-GXSJLCMTSA-N 0 3 197.278 2.485 10 0 AEAEHN CCN(CC)[C@@H](C)c1ccc(CN)o1 257842233 573658276 /nfs/dbraw/zinc/65/82/76/573658276.db2.gz MQWNVUQLDDUHTR-VIFPVBQESA-N 0 3 196.294 2.141 10 0 AEAEHN CC[C@@H](C)O[C@H](CN)c1ccco1 43337859 573658322 /nfs/dbraw/zinc/65/83/22/573658322.db2.gz CTYWSMJYSVNCFI-PSASIEDQSA-N 0 3 183.251 2.095 10 0 AEAEHN CN[C@H](C)[C@H](F)c1ccccc1OC 257842824 573658328 /nfs/dbraw/zinc/65/83/28/573658328.db2.gz MUBVHLUYOIAUBL-KCJUWKMLSA-N 0 3 197.253 2.314 10 0 AEAEHN CC(C)n1nc(CN)cc1C1CCC1 257843273 573658404 /nfs/dbraw/zinc/65/84/04/573658404.db2.gz MWCZDGBUSKXKOM-UHFFFAOYSA-N 0 3 193.294 2.190 10 0 AEAEHN CC(C)C[C@@](F)(CN)C(F)(F)F 259545656 573658489 /nfs/dbraw/zinc/65/84/89/573658489.db2.gz CBQUXJQSSVIIQS-ZCFIWIBFSA-N 0 3 187.180 2.262 10 0 AEAEHN FCC1=CCN(Cc2ccccc2)C1 258081784 573658523 /nfs/dbraw/zinc/65/85/23/573658523.db2.gz MVTKNXLNBYEPGK-UHFFFAOYSA-N 0 3 191.249 2.398 10 0 AEAEHN CCCCCO[C@H](CN)c1ccco1 43337774 573658591 /nfs/dbraw/zinc/65/85/91/573658591.db2.gz HEOQUYSFOCYQIN-LLVKDONJSA-N 0 3 197.278 2.486 10 0 AEAEHN CNCc1cc2c(F)cc(F)cc2o1 83820999 573658606 /nfs/dbraw/zinc/65/86/06/573658606.db2.gz KFDHUPMPKUNAQT-UHFFFAOYSA-N 0 3 197.184 2.430 10 0 AEAEHN CC(C)c1cn2c(n1)[C@@H](N)C[C@@H](C)C2 107826995 573658988 /nfs/dbraw/zinc/65/89/88/573658988.db2.gz VSFYVSYOOHBFJX-BDAKNGLRSA-N 0 3 193.294 2.046 10 0 AEAEHN CNCc1cc2c(F)ccc(F)c2o1 83821060 573659185 /nfs/dbraw/zinc/65/91/85/573659185.db2.gz SNHUXABUOPXKOZ-UHFFFAOYSA-N 0 3 197.184 2.430 10 0 AEAEHN CC(C)CO[C@@H](c1ccco1)[C@H](C)N 43337141 573659296 /nfs/dbraw/zinc/65/92/96/573659296.db2.gz JTRQBDZXWNNEAE-GXSJLCMTSA-N 0 3 197.278 2.341 10 0 AEAEHN CCc1nc(N)[nH]c1[C@@H]1CCCS1 257842413 573659465 /nfs/dbraw/zinc/65/94/65/573659465.db2.gz CALDVEZTAAVZGP-ZETCQYMHSA-N 0 3 197.307 2.122 10 0 AEAEHN CNC[C@](C)(F)c1ccc(F)cc1 257843114 573659501 /nfs/dbraw/zinc/65/95/01/573659501.db2.gz OXCYHYDLQQZZTR-JTQLQIEISA-N 0 3 185.217 2.230 10 0 AEAEHN CC[C@@H]1N[C@@H](C)[C@@H](O)c2ccccc21 107832955 573659570 /nfs/dbraw/zinc/65/95/70/573659570.db2.gz UYJQABLHNLIOPO-KPXOXKRLSA-N 0 3 191.274 2.163 10 0 AEAEHN CCCCCO[C@@H](CN)c1ccco1 43337773 573659600 /nfs/dbraw/zinc/65/96/00/573659600.db2.gz HEOQUYSFOCYQIN-NSHDSACASA-N 0 3 197.278 2.486 10 0 AEAEHN C[C@H](N)[C@@H](OC(C)(C)C)c1ccco1 43337541 573659615 /nfs/dbraw/zinc/65/96/15/573659615.db2.gz VSDQVLWYYWEUGX-WCBMZHEXSA-N 0 3 197.278 2.483 10 0 AEAEHN Cc1cc(N)c(-c2cccnc2)cn1 238472001 573659661 /nfs/dbraw/zinc/65/96/61/573659661.db2.gz HTLPNYWAVUAJQT-UHFFFAOYSA-N 0 3 185.230 2.034 10 0 AEAEHN CC(C)c1cn2c(n1)[C@@H](N)C[C@H](C)C2 107826998 573658977 /nfs/dbraw/zinc/65/89/77/573658977.db2.gz VSFYVSYOOHBFJX-IUCAKERBSA-N 0 3 193.294 2.046 10 0 AEAEHN C[C@H](N)[C@H](OCC1CC1)c1ccco1 43337405 573662651 /nfs/dbraw/zinc/66/26/51/573662651.db2.gz FRFAIFLLPREWDJ-KWQFWETISA-N 0 3 195.262 2.095 10 0 AEAEHN CNC[C@@](C)(F)c1ccc(F)cc1 257843115 573662766 /nfs/dbraw/zinc/66/27/66/573662766.db2.gz OXCYHYDLQQZZTR-SNVBAGLBSA-N 0 3 185.217 2.230 10 0 AEAEHN C[C@@H]1CC(=O)CC2(CCCCC2)N1 238471634 573662832 /nfs/dbraw/zinc/66/28/32/573662832.db2.gz IYHDVCOMOBSMBX-SECBINFHSA-N 0 3 181.279 2.030 10 0 AEAEHN C[C@H](N)[C@@H](OCC1CC1)c1ccco1 43337407 573662928 /nfs/dbraw/zinc/66/29/28/573662928.db2.gz FRFAIFLLPREWDJ-GZMMTYOYSA-N 0 3 195.262 2.095 10 0 AEAEHN CNCc1cc2ccc(F)c(F)c2o1 83821020 573662958 /nfs/dbraw/zinc/66/29/58/573662958.db2.gz VMGHCIAATHXJQU-UHFFFAOYSA-N 0 3 197.184 2.430 10 0 AEAEHN CNC[C@](C)(F)Cc1ccc(F)cc1 257843530 573662969 /nfs/dbraw/zinc/66/29/69/573662969.db2.gz KWYNJARNLHWTEO-LLVKDONJSA-N 0 3 199.244 2.316 10 0 AEAEHN Cc1csc2c1[C@@H](N)CSC2 75627903 573662998 /nfs/dbraw/zinc/66/29/98/573662998.db2.gz XSDNZWBDTQKFQE-LURJTMIESA-N 0 3 185.317 2.303 10 0 AEAEHN C[C@]1(C2CCC2)CC(F)(F)CN1 257842951 573663027 /nfs/dbraw/zinc/66/30/27/573663027.db2.gz CFCRXYCAGDPMMR-MRVPVSSYSA-N 0 3 175.222 2.174 10 0 AEAEHN CC[C@H](C)O[C@@H](c1ccco1)[C@@H](C)N 43337862 573663031 /nfs/dbraw/zinc/66/30/31/573663031.db2.gz XJWJFKQUNLPZKE-IQJOONFLSA-N 0 3 197.278 2.483 10 0 AEAEHN C[C@@]1(C2CCC2)CC(F)(F)CN1 257842952 573663069 /nfs/dbraw/zinc/66/30/69/573663069.db2.gz CFCRXYCAGDPMMR-QMMMGPOBSA-N 0 3 175.222 2.174 10 0 AEAEHN CCCCO[C@H](CN)c1ccco1 43337764 573663228 /nfs/dbraw/zinc/66/32/28/573663228.db2.gz BWPAHVZPGNNLBB-SNVBAGLBSA-N 0 3 183.251 2.096 10 0 AEAEHN CNC[C@@H](F)c1ccc(F)cc1F 257843862 573663462 /nfs/dbraw/zinc/66/34/62/573663462.db2.gz PIZDXWNZQVSPCI-SECBINFHSA-N 0 3 189.180 2.195 10 0 AEAEHN C[C@@H]1N[C@H](C)Cc2ccc(F)cc21 107848920 573665110 /nfs/dbraw/zinc/66/51/10/573665110.db2.gz FYFMTBKBZHLWRQ-SFYZADRCSA-N 0 3 179.238 2.421 10 0 AEAEHN CC[C@H]1N[C@@H](C)Cc2ccncc21 107851404 573665148 /nfs/dbraw/zinc/66/51/48/573665148.db2.gz WXLNBJQFSDHOCY-GZMMTYOYSA-N 0 3 176.263 2.067 10 0 AEAEHN Cc1ccc([C@@H](CN)OC(C)C)o1 43366470 573665271 /nfs/dbraw/zinc/66/52/71/573665271.db2.gz NERZZBGNOPLMKY-SNVBAGLBSA-N 0 3 183.251 2.013 10 0 AEAEHN Cc1cnc([C@H](C)NCC(C)C)cn1 308664565 573665298 /nfs/dbraw/zinc/66/52/98/573665298.db2.gz RUKFZZPEYQJSNT-JTQLQIEISA-N 0 3 193.294 2.092 10 0 AEAEHN CC[C@@H]1N[C@@H](C)Cc2ncccc21 107850967 573665309 /nfs/dbraw/zinc/66/53/09/573665309.db2.gz XKCYFRUUCOQNOZ-WPRPVWTQSA-N 0 3 176.263 2.067 10 0 AEAEHN C[C@@H]1Cc2ccncc2[C@@H](C2CC2)N1 107851441 573665573 /nfs/dbraw/zinc/66/55/73/573665573.db2.gz DAEDPUVXIMBTKJ-PRHODGIISA-N 0 3 188.274 2.067 10 0 AEAEHN C[C@@H]1Cc2ncccc2[C@@H](C2CC2)N1 107850997 573665605 /nfs/dbraw/zinc/66/56/05/573665605.db2.gz ZLFBBXGWZKKNAU-PRHODGIISA-N 0 3 188.274 2.067 10 0 AEAEHN C[C@@H]1CS[C@H](C(C)(C)C)N1 83823640 573665614 /nfs/dbraw/zinc/66/56/14/573665614.db2.gz VFFFHLRFKDKXEL-RNFRBKRXSA-N 0 3 159.298 2.084 10 0 AEAEHN CC[C@H]1N[C@@H](C)Cc2ncccc21 107850964 573665620 /nfs/dbraw/zinc/66/56/20/573665620.db2.gz XKCYFRUUCOQNOZ-WCBMZHEXSA-N 0 3 176.263 2.067 10 0 AEAEHN C[C@H]1CN[C@H](Cc2ccccc2)S1 83824046 573665686 /nfs/dbraw/zinc/66/56/86/573665686.db2.gz OXYVYBWZKJSAMV-ONGXEEELSA-N 0 3 193.315 2.280 10 0 AEAEHN CC[C@@H]1N[C@@H](C)Cc2ccc(O)cc21 107850330 573667033 /nfs/dbraw/zinc/66/70/33/573667033.db2.gz BIPQOEXBDANPFL-UFBFGSQYSA-N 0 3 191.274 2.378 10 0 AEAEHN C[C@H]1Cc2ncccc2[C@H](C2CC2)N1 107850993 573667549 /nfs/dbraw/zinc/66/75/49/573667549.db2.gz ZLFBBXGWZKKNAU-UFBFGSQYSA-N 0 3 188.274 2.067 10 0 AEAEHN CC(C)c1cccc2c1OCCNC2 83824227 573667639 /nfs/dbraw/zinc/66/76/39/573667639.db2.gz WKZJOHBGODXZDV-UHFFFAOYSA-N 0 3 191.274 2.292 10 0 AEAEHN CC[C@@H](C)O[C@@H](CN)c1ccc(C)o1 43366999 573667108 /nfs/dbraw/zinc/66/71/08/573667108.db2.gz XKVGKPAHCWYWSN-KCJUWKMLSA-N 0 3 197.278 2.403 10 0 AEAEHN Oc1ccc(S[C@H]2CCCN2)cc1 257844495 573667898 /nfs/dbraw/zinc/66/78/98/573667898.db2.gz NHQKJXUMMNBYKM-JTQLQIEISA-N 0 3 195.287 2.194 10 0 AEAEHN CNC[C@@](C)(F)c1cccc(OC)c1 257844527 573668047 /nfs/dbraw/zinc/66/80/47/573668047.db2.gz PLIKCGPTXHRLNL-LLVKDONJSA-N 0 3 197.253 2.099 10 0 AEAEHN Cc1ccc([C@H](CN)OC(C)C)o1 43366471 573668051 /nfs/dbraw/zinc/66/80/51/573668051.db2.gz NERZZBGNOPLMKY-JTQLQIEISA-N 0 3 183.251 2.013 10 0 AEAEHN Oc1ccc(S[C@@H]2CCCN2)cc1 257844496 573668078 /nfs/dbraw/zinc/66/80/78/573668078.db2.gz NHQKJXUMMNBYKM-SNVBAGLBSA-N 0 3 195.287 2.194 10 0 AEAEHN CC(C)Cc1cc(CN)nn1C(C)C 257844422 573668143 /nfs/dbraw/zinc/66/81/43/573668143.db2.gz NENCKDHKFZPIAH-UHFFFAOYSA-N 0 3 195.310 2.121 10 0 AEAEHN C[C@@H]1CN[C@H](Cc2ccccc2)S1 83824045 573668150 /nfs/dbraw/zinc/66/81/50/573668150.db2.gz OXYVYBWZKJSAMV-KOLCDFICSA-N 0 3 193.315 2.280 10 0 AEAEHN CNC[C@H](F)c1ccc(F)cc1F 257843864 573668187 /nfs/dbraw/zinc/66/81/87/573668187.db2.gz PIZDXWNZQVSPCI-VIFPVBQESA-N 0 3 189.180 2.195 10 0 AEAEHN CC[C@@H]1N[C@H](C)Cc2ccncc21 107851411 573668193 /nfs/dbraw/zinc/66/81/93/573668193.db2.gz WXLNBJQFSDHOCY-KCJUWKMLSA-N 0 3 176.263 2.067 10 0 AEAEHN CC[C@@H]1N[C@H](C)Cc2ncccc21 107850973 573668530 /nfs/dbraw/zinc/66/85/30/573668530.db2.gz XKCYFRUUCOQNOZ-SCZZXKLOSA-N 0 3 176.263 2.067 10 0 AEAEHN C[C@H]1CCC(=C2CNC2)C[C@H]1C 86882250 573675616 /nfs/dbraw/zinc/67/56/16/573675616.db2.gz GFKFMZXMBKDOOE-DTWKUNHWSA-N 0 3 165.280 2.342 10 0 AEAEHN Clc1ccc(C=C2CNC2)cc1 86882077 573676182 /nfs/dbraw/zinc/67/61/82/573676182.db2.gz SXWBXWQZRTWQPI-UHFFFAOYSA-N 0 3 179.650 2.327 10 0 AEAEHN Cc1ccc(C=C2CNC2)cc1C 86882225 573676216 /nfs/dbraw/zinc/67/62/16/573676216.db2.gz VKOBPGHKSBKBIP-UHFFFAOYSA-N 0 3 173.259 2.290 10 0 AEAEHN CO[C@H]1CCCc2sc(CN)cc21 107973435 573675651 /nfs/dbraw/zinc/67/56/51/573675651.db2.gz MFFDSEKMVCHPHZ-VIFPVBQESA-N 0 3 197.303 2.231 10 0 AEAEHN CC[C@@H]1CCCC(=C2CNC2)C1 86882050 573675755 /nfs/dbraw/zinc/67/57/55/573675755.db2.gz JBVWMTBLPCRUBW-SECBINFHSA-N 0 3 165.280 2.486 10 0 AEAEHN Cc1ccc2c(c1F)[C@H](C)NCC2 75708541 573676018 /nfs/dbraw/zinc/67/60/18/573676018.db2.gz DJBOTCXSYWLMIO-QMMMGPOBSA-N 0 3 179.238 2.341 10 0 AEAEHN CO[C@@H]1CCCc2sc(CN)cc21 107973432 573676154 /nfs/dbraw/zinc/67/61/54/573676154.db2.gz MFFDSEKMVCHPHZ-SECBINFHSA-N 0 3 197.303 2.231 10 0 AEAEHN C[C@H]1CCCC(=C2CNC2)C1 86881936 573678606 /nfs/dbraw/zinc/67/86/06/573678606.db2.gz TUFVMBAREYOFCX-QMMMGPOBSA-N 0 3 151.253 2.096 10 0 AEAEHN Clc1ccc(C=C2CNC2)s1 86882087 573678716 /nfs/dbraw/zinc/67/87/16/573678716.db2.gz WTQSONJTUXRYKA-UHFFFAOYSA-N 0 3 185.679 2.388 10 0 AEAEHN Clc1ccccc1C=C1CNC1 86881958 573678737 /nfs/dbraw/zinc/67/87/37/573678737.db2.gz FHUWSTFYQOTGAZ-UHFFFAOYSA-N 0 3 179.650 2.327 10 0 AEAEHN CC(C)C[C@H](N)c1cc(F)ccc1N 107995323 573678931 /nfs/dbraw/zinc/67/89/31/573678931.db2.gz LBNFTNBMRIVWQM-NSHDSACASA-N 0 3 196.269 2.454 10 0 AEAEHN NCc1c(F)cc(F)c(Cl)c1F 258090951 573679135 /nfs/dbraw/zinc/67/91/35/573679135.db2.gz OACTVXDWDFNPLJ-UHFFFAOYSA-N 0 3 195.571 2.216 10 0 AEAEHN Cc1ccc(F)c2c1CCN[C@@H]2C 75736056 573681812 /nfs/dbraw/zinc/68/18/12/573681812.db2.gz JWNCACGNJWTXBN-MRVPVSSYSA-N 0 3 179.238 2.341 10 0 AEAEHN CC(=O)[C@@H]1CCCCN1CC1CCC1 83839053 573681859 /nfs/dbraw/zinc/68/18/59/573681859.db2.gz AFKPDWWHKVHDNJ-LBPRGKRZSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@H](CO)[C@@H](N)c1sccc1C 259159770 573685910 /nfs/dbraw/zinc/68/59/10/573685910.db2.gz BWENPDKXBSSPFT-RKDXNWHRSA-N 0 3 199.319 2.075 10 0 AEAEHN N[C@@H](CC1CCC1)c1ccco1 83841357 573687385 /nfs/dbraw/zinc/68/73/85/573687385.db2.gz LMXQOAOIKLVARG-VIFPVBQESA-N 0 3 165.236 2.470 10 0 AEAEHN C=Cc1ccc2c(c1)CN[C@@H]2C 238479626 573687452 /nfs/dbraw/zinc/68/74/52/573687452.db2.gz DTUHPADJMMWKLZ-MRVPVSSYSA-N 0 3 159.232 2.494 10 0 AEAEHN Cc1ccc2c(c1F)CCN[C@@H]2C 75749122 573690621 /nfs/dbraw/zinc/69/06/21/573690621.db2.gz KITHHDBTMCNASQ-MRVPVSSYSA-N 0 3 179.238 2.341 10 0 AEAEHN c1coc(CNC[C@H]2C[C@@H]2C2CC2)c1 308676000 573690889 /nfs/dbraw/zinc/69/08/89/573690889.db2.gz WEZYVYXEPYNCDT-ZYHUDNBSSA-N 0 3 191.274 2.415 10 0 AEAEHN CC[C@](C)(C(C)=O)N(C)CCC1CC1 308674672 573690927 /nfs/dbraw/zinc/69/09/27/573690927.db2.gz VVGJYYXMECPCGL-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCc1ccnc(C2(N)CCCC2)c1 259165633 573692253 /nfs/dbraw/zinc/69/22/53/573692253.db2.gz HOCKVIUBDSRJFS-UHFFFAOYSA-N 0 3 190.290 2.372 10 0 AEAEHN Cc1cc(F)c([O-])c(CC(C)(C)[NH3+])c1 258085618 573693061 /nfs/dbraw/zinc/69/30/61/573693061.db2.gz NOPNSSAZWSIKIG-UHFFFAOYSA-N 0 3 197.253 2.120 10 0 AEAEHN Cc1ccc(C[C@H](C)[NH3+])c(Cl)c1[O-] 258087009 573695015 /nfs/dbraw/zinc/69/50/15/573695015.db2.gz JHIPWLAGWIEDHM-ZETCQYMHSA-N 0 3 199.681 2.244 10 0 AEAEHN Clc1cccc(N[C@@H]2CCCN2)c1 257851216 573694650 /nfs/dbraw/zinc/69/46/50/573694650.db2.gz OYCPKUGLQKXDQA-SNVBAGLBSA-N 0 3 196.681 2.461 10 0 AEAEHN C[C@@H](O)CC(C)(C)CN1CC(C)(C)C1 393550408 573694766 /nfs/dbraw/zinc/69/47/66/573694766.db2.gz PYPJTTLTXOIWKJ-SNVBAGLBSA-N 0 3 199.338 2.125 10 0 AEAEHN CC[C@@H](F)CN1CC[C@@H](C(F)F)C1 308419103 573694803 /nfs/dbraw/zinc/69/48/03/573694803.db2.gz OCJMRNXLZSSRAV-HTQZYQBOSA-N 0 3 195.228 2.322 10 0 AEAEHN C[C@H]1CC(C)(C)c2ccc(N)nc2N1 238481907 573694809 /nfs/dbraw/zinc/69/48/09/573694809.db2.gz BZYSHRXVIITZGG-ZETCQYMHSA-N 0 3 191.278 2.146 10 0 AEAEHN CC(=O)CCNCc1cccc(C)c1 258885690 573696513 /nfs/dbraw/zinc/69/65/13/573696513.db2.gz IMHIOCYBIAGPFV-UHFFFAOYSA-N 0 3 191.274 2.064 10 0 AEAEHN C[C@@H]1[NH2+]CCc2ccc([O-])c(Cl)c21 75795834 573696581 /nfs/dbraw/zinc/69/65/81/573696581.db2.gz PNADCKPXJNREDA-LURJTMIESA-N 0 3 197.665 2.252 10 0 AEAEHN Cc1ccc(S[C@H](C)N)cc1 259167241 573696596 /nfs/dbraw/zinc/69/65/96/573696596.db2.gz HFSXQTXAQPLZTP-MRVPVSSYSA-N 0 3 167.277 2.392 10 0 AEAEHN CCO[C@@H]1C[C@@H]1[C@H](N)c1cc(C)co1 716109662 573703064 /nfs/dbraw/zinc/70/30/64/573703064.db2.gz JSADSEUEBNXOHW-NGZCFLSTSA-N 0 3 195.262 2.013 10 0 AEAEHN Cc1csc([C@@H](O)CCN(C)C)c1 238313807 573702659 /nfs/dbraw/zinc/70/26/59/573702659.db2.gz RTCLGWDMSFPMNX-VIFPVBQESA-N 0 3 199.319 2.042 10 0 AEAEHN Fc1cc2c(cc1F)C1(CC1)NCC2 258099894 573703570 /nfs/dbraw/zinc/70/35/70/573703570.db2.gz XUBHSRQPBGNPGO-UHFFFAOYSA-N 0 3 195.212 2.100 10 0 AEAEHN C/N=c1\ccccc2c3c([nH]c12)CCC3 308682441 573703761 /nfs/dbraw/zinc/70/37/61/573703761.db2.gz QYJZYCKNHOYJJJ-WYMLVPIESA-N 0 3 198.269 2.187 10 0 AEAEHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1cc[nH]n1 122146057 573703902 /nfs/dbraw/zinc/70/39/02/573703902.db2.gz JZNNSUUBEUKKAV-UTLUCORTSA-N 0 3 193.294 2.249 10 0 AEAEHN C1CCCCN2CCCN[C@@H]2CCC1 238013586 573705955 /nfs/dbraw/zinc/70/59/55/573705955.db2.gz UKWIQUQIGKDHFI-LBPRGKRZSA-N 0 3 196.338 2.352 10 0 AEAEHN Clc1ccc(N[C@H]2CCCN2)cc1 257849792 573706172 /nfs/dbraw/zinc/70/61/72/573706172.db2.gz ONSXEXCDRLJGRT-JTQLQIEISA-N 0 3 196.681 2.461 10 0 AEAEHN C[C@H](N)c1nc2c([O-])cccc2s1 75845136 573706339 /nfs/dbraw/zinc/70/63/39/573706339.db2.gz XLQJDALHBUTMGI-YFKPBYRVSA-N 0 3 194.259 2.022 10 0 AEAEHN C[C@H](N)c1nc2c(O)cccc2s1 75845136 573706344 /nfs/dbraw/zinc/70/63/44/573706344.db2.gz XLQJDALHBUTMGI-YFKPBYRVSA-N 0 3 194.259 2.022 10 0 AEAEHN Clc1ccc(N[C@@H]2CCCN2)cc1 257849793 573706355 /nfs/dbraw/zinc/70/63/55/573706355.db2.gz ONSXEXCDRLJGRT-SNVBAGLBSA-N 0 3 196.681 2.461 10 0 AEAEHN CC(C)[C@H](N)c1ccnn1C(C)C 75854384 573711399 /nfs/dbraw/zinc/71/13/99/573711399.db2.gz FNIYBFAKTHCXIJ-JTQLQIEISA-N 0 3 181.283 2.120 10 0 AEAEHN CCn1ncc(CN)c1C1CCCC1 257850426 573711125 /nfs/dbraw/zinc/71/11/25/573711125.db2.gz OQNAGBOPQPUISQ-UHFFFAOYSA-N 0 3 193.294 2.019 10 0 AEAEHN [NH3+]Cc1cc([O-])c2cc(F)ccc2c1 108268380 573713276 /nfs/dbraw/zinc/71/32/76/573713276.db2.gz UDQCDRWUYDEORF-UHFFFAOYSA-N 0 3 191.205 2.143 10 0 AEAEHN CC1=C(C)Cc2cnccc2NC1 197517436 573713837 /nfs/dbraw/zinc/71/38/37/573713837.db2.gz MQRUJTYIMKWORW-UHFFFAOYSA-N 0 3 174.247 2.386 10 0 AEAEHN CC(C)n1ccnc1[C@@H]1CCCCN1 75869239 573719510 /nfs/dbraw/zinc/71/95/10/573719510.db2.gz ZORSCZOJNJFOBG-JTQLQIEISA-N 0 3 193.294 2.279 10 0 AEAEHN CCc1c([C@@H](C)NC)cnn1C(C)C 257856864 573718865 /nfs/dbraw/zinc/71/88/65/573718865.db2.gz QCIAGBNOIYPLFA-SECBINFHSA-N 0 3 195.310 2.307 10 0 AEAEHN CCc1cccc2cc(CN)cnc12 83965680 573718947 /nfs/dbraw/zinc/71/89/47/573718947.db2.gz CMPYGGRTFZBWLZ-UHFFFAOYSA-N 0 3 186.258 2.256 10 0 AEAEHN O=C(CC1CCCCCC1)[C@@H]1CCN1 257856814 573719142 /nfs/dbraw/zinc/71/91/42/573719142.db2.gz QBCRBCXFPWRRGU-NSHDSACASA-N 0 3 195.306 2.278 10 0 AEAEHN CNC[C@H](F)c1ccccc1C 257856238 573720827 /nfs/dbraw/zinc/72/08/27/573720827.db2.gz UEAZRZZYPSZCQJ-JTQLQIEISA-N 0 3 167.227 2.225 10 0 AEAEHN C[C@@H](N)c1nn(C)cc1C1CCCC1 257856089 573721419 /nfs/dbraw/zinc/72/14/19/573721419.db2.gz TYNNCPZVODLGPO-MRVPVSSYSA-N 0 3 193.294 2.097 10 0 AEAEHN Nc1cc(Cl)ccc1CNC1CC1 258104001 573721432 /nfs/dbraw/zinc/72/14/32/573721432.db2.gz KUQIFMMCZGFRDX-UHFFFAOYSA-N 0 3 196.681 2.174 10 0 AEAEHN NC[C@@](F)(CC1CCC1)C(F)(F)F 258105846 573723501 /nfs/dbraw/zinc/72/35/01/573723501.db2.gz OIEBXDXCHIJLIL-ZETCQYMHSA-N 0 3 199.191 2.406 10 0 AEAEHN C[C@](F)(CN)C1CCCCC1 108284641 573723998 /nfs/dbraw/zinc/72/39/98/573723998.db2.gz PIPLSTFDQBIQSF-VIFPVBQESA-N 0 3 159.248 2.254 10 0 AEAEHN CCCOCCCNCc1ccoc1 130876767 573724044 /nfs/dbraw/zinc/72/40/44/573724044.db2.gz STNDYFNVCODLFD-UHFFFAOYSA-N 0 3 197.278 2.186 10 0 AEAEHN CC1(C)CCC(F)(CN)CC1 108284645 573724113 /nfs/dbraw/zinc/72/41/13/573724113.db2.gz BYBJOIKCSZGEDO-UHFFFAOYSA-N 0 3 159.248 2.254 10 0 AEAEHN C[C@@H](N)c1oncc1-c1ccccc1 257857262 573727884 /nfs/dbraw/zinc/72/78/84/573727884.db2.gz UICPXNOELREFIV-MRVPVSSYSA-N 0 3 188.230 2.361 10 0 AEAEHN [O-]c1cc(C[NH2+]C2CCC2)ccc1F 258108144 573727927 /nfs/dbraw/zinc/72/79/27/573727927.db2.gz LFIWFLRJTWWHAU-UHFFFAOYSA-N 0 3 195.237 2.173 10 0 AEAEHN Cc1nc2c(C)c(N)c(C)c(C)c2[nH]1 238487987 573730359 /nfs/dbraw/zinc/73/03/59/573730359.db2.gz ALFVDOKWUPUUFR-UHFFFAOYSA-N 0 3 189.262 2.379 10 0 AEAEHN CN(C)c1cccc(F)c1C(C)(C)N 75903038 573730429 /nfs/dbraw/zinc/73/04/29/573730429.db2.gz VZGYYVYCUCTMNN-UHFFFAOYSA-N 0 3 196.269 2.086 10 0 AEAEHN Oc1ccc2c(c1)[C@@H](N1CCC1)CC2 257851859 573730481 /nfs/dbraw/zinc/73/04/81/573730481.db2.gz PBXUHAVVSKUFIT-LBPRGKRZSA-N 0 3 189.258 2.085 10 0 AEAEHN CN[C@H](C)c1cccc2c1OC[C@@H]2C 258111488 573730501 /nfs/dbraw/zinc/73/05/01/573730501.db2.gz OPCHDYNEDQOFJB-DTWKUNHWSA-N 0 3 191.274 2.463 10 0 AEAEHN C[C@H](N)c1ccnn1C1CCCCC1 257851927 573730596 /nfs/dbraw/zinc/73/05/96/573730596.db2.gz PFAJOWDQKQFUQQ-VIFPVBQESA-N 0 3 193.294 2.408 10 0 AEAEHN Cc1cc(C)c([C@H]2CCNC[C@@H]2F)[nH]1 238488072 573731096 /nfs/dbraw/zinc/73/10/96/573731096.db2.gz SJJIUUPOZZRLSF-UWVGGRQHSA-N 0 3 196.269 2.047 10 0 AEAEHN CSc1cccc2c1CNCC2 144706746 573734903 /nfs/dbraw/zinc/73/49/03/573734903.db2.gz ZYZYBHLNMCJOOZ-UHFFFAOYSA-N 0 3 179.288 2.054 10 0 AEAEHN NC[C@H](F)c1ccccc1Cl 108290605 573734905 /nfs/dbraw/zinc/73/49/05/573734905.db2.gz JSZCKOYLINKHCP-QMMMGPOBSA-N 0 3 173.618 2.309 10 0 AEAEHN CC1CCC(C[C@@H](F)CN)CC1 108290552 573735268 /nfs/dbraw/zinc/73/52/68/573735268.db2.gz UFMSUGKHTRWQSR-UDNWOFFPSA-N 0 3 173.275 2.500 10 0 AEAEHN CSC(=N)Nc1ccc(O)cc1 143209746 573736678 /nfs/dbraw/zinc/73/66/78/573736678.db2.gz XOGQOXMINLZEQB-UHFFFAOYSA-N 0 3 182.248 2.102 10 0 AEAEHN Cc1cnc(C2CCN(C)CC2)s1 224633434 573736194 /nfs/dbraw/zinc/73/61/94/573736194.db2.gz RUWNERGBEVBQKA-UHFFFAOYSA-N 0 3 196.319 2.261 10 0 AEAEHN C[C@](F)(CN)C[C@H]1CCCSC1 257859979 573736516 /nfs/dbraw/zinc/73/65/16/573736516.db2.gz QUFFUGMBPMBCII-RKDXNWHRSA-N 0 3 191.315 2.207 10 0 AEAEHN C[C@@](F)(CN)C[C@H]1CCCSC1 257859976 573736538 /nfs/dbraw/zinc/73/65/38/573736538.db2.gz QUFFUGMBPMBCII-BDAKNGLRSA-N 0 3 191.315 2.207 10 0 AEAEHN C[C@](F)(CN)C[C@@H]1CCCSC1 257859977 573736595 /nfs/dbraw/zinc/73/65/95/573736595.db2.gz QUFFUGMBPMBCII-DTWKUNHWSA-N 0 3 191.315 2.207 10 0 AEAEHN Cc1ccc([C@@](C)(F)CN)s1 108290453 573736622 /nfs/dbraw/zinc/73/66/22/573736622.db2.gz JDCKUPVSJMGIQZ-QMMMGPOBSA-N 0 3 173.256 2.200 10 0 AEAEHN Cc1cc(CN(C)C)ccc1F 75928272 573736646 /nfs/dbraw/zinc/73/66/46/573736646.db2.gz LEOVUDYOIJETKH-UHFFFAOYSA-N 0 3 167.227 2.196 10 0 AEAEHN NC[C@@H](F)c1ccc2occc2c1 108292210 573738269 /nfs/dbraw/zinc/73/82/69/573738269.db2.gz KLGCFGDIPYORCQ-SECBINFHSA-N 0 3 179.194 2.402 10 0 AEAEHN CN[C@@H]1c2ccc(Cl)cc2O[C@@H]1C 87015982 573744350 /nfs/dbraw/zinc/74/43/50/573744350.db2.gz SAVWDKZOUJKLNQ-LDWIPMOCSA-N 0 3 197.665 2.381 10 0 AEAEHN CN[C@H](C)c1onc2c(C)cccc12 257859133 573738424 /nfs/dbraw/zinc/73/84/24/573738424.db2.gz QNLXTFAWBUGXGQ-MRVPVSSYSA-N 0 3 190.246 2.417 10 0 AEAEHN Cc1ccc2c(c1)[C@@](F)(CN)CC2 108292384 573738444 /nfs/dbraw/zinc/73/84/44/573738444.db2.gz ANYHVIWIFMUZER-NSHDSACASA-N 0 3 179.238 2.065 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1ncccc1N 238075493 573738460 /nfs/dbraw/zinc/73/84/60/573738460.db2.gz DIXZDQOMLVUFIM-SECBINFHSA-N 0 3 193.294 2.100 10 0 AEAEHN Cc1ccc([C@](C)(F)CN)cc1C 108294094 573738497 /nfs/dbraw/zinc/73/84/97/573738497.db2.gz ACLKEQSFNWOWFR-LLVKDONJSA-N 0 3 181.254 2.447 10 0 AEAEHN CN[C@@H](C)c1onc2c(C)cccc12 257859135 573738900 /nfs/dbraw/zinc/73/89/00/573738900.db2.gz QNLXTFAWBUGXGQ-QMMMGPOBSA-N 0 3 190.246 2.417 10 0 AEAEHN Fc1ccc2c(c1)OC[C@H]2NC1CC1 87016219 573742448 /nfs/dbraw/zinc/74/24/48/573742448.db2.gz QARNXQROFYMPQH-SNVBAGLBSA-N 0 3 193.221 2.011 10 0 AEAEHN CN[C@H]1CCOc2cc(Cl)ccc21 87016057 573742519 /nfs/dbraw/zinc/74/25/19/573742519.db2.gz ATNQMKNZVMQKHI-VIFPVBQESA-N 0 3 197.665 2.383 10 0 AEAEHN CN[C@H]1c2ccc(Cl)cc2O[C@@H]1C 87015985 573742536 /nfs/dbraw/zinc/74/25/36/573742536.db2.gz SAVWDKZOUJKLNQ-LHLIQPBNSA-N 0 3 197.665 2.381 10 0 AEAEHN COC(C)(C)[C@@H](N)c1sccc1C 87022320 573742588 /nfs/dbraw/zinc/74/25/88/573742588.db2.gz CFNBEKDUDORUMD-VIFPVBQESA-N 0 3 199.319 2.481 10 0 AEAEHN CSC[C@@H](N)c1sccc1C 87021815 573742657 /nfs/dbraw/zinc/74/26/57/573742657.db2.gz PPEPOOBYZVHJCV-SSDOTTSWSA-N 0 3 187.333 2.419 10 0 AEAEHN CN[C@H]1c2ccc(C)cc2O[C@H]1C 87016231 573742681 /nfs/dbraw/zinc/74/26/81/573742681.db2.gz QVVHPPJPGINCAP-GZMMTYOYSA-N 0 3 177.247 2.036 10 0 AEAEHN Cc1cccc2c1CCC[C@@]2(F)CN 108303192 573742735 /nfs/dbraw/zinc/74/27/35/573742735.db2.gz NWHJHRPBRYVVBM-GFCCVEGCSA-N 0 3 193.265 2.455 10 0 AEAEHN CCCN[C@H]1COc2cc(C)ccc21 87016324 573742738 /nfs/dbraw/zinc/74/27/38/573742738.db2.gz VCYTZPMPTGKCCV-NSHDSACASA-N 0 3 191.274 2.428 10 0 AEAEHN CC[C@H]1Oc2cc(C)ccc2[C@@H]1N 87016259 573742777 /nfs/dbraw/zinc/74/27/77/573742777.db2.gz CXSWEZQHWQLDBB-KOLCDFICSA-N 0 3 177.247 2.166 10 0 AEAEHN Cc1ccc(C)c2c1CC[C@@]2(F)CN 108303176 573742798 /nfs/dbraw/zinc/74/27/98/573742798.db2.gz WJGIIDBMXHVSJO-GFCCVEGCSA-N 0 3 193.265 2.373 10 0 AEAEHN CSC[C@H](N)c1ccc(C)s1 84008387 573742806 /nfs/dbraw/zinc/74/28/06/573742806.db2.gz VXFUGEKDLDLHRW-ZETCQYMHSA-N 0 3 187.333 2.419 10 0 AEAEHN Cc1ccc2c(c1)OC[C@@H]2NC1CC1 87016334 573742807 /nfs/dbraw/zinc/74/28/07/573742807.db2.gz BCGJMYVCNGNQKV-NSHDSACASA-N 0 3 189.258 2.181 10 0 AEAEHN C[C@H]1Oc2cc(Cl)ccc2[C@@H]1N 87016062 573742816 /nfs/dbraw/zinc/74/28/16/573742816.db2.gz NVQWJHJDUPTSPG-MLUIRONXSA-N 0 3 183.638 2.121 10 0 AEAEHN CCN[C@H]1CCOc2cc(F)ccc21 87016111 573742831 /nfs/dbraw/zinc/74/28/31/573742831.db2.gz NUTPRWZRPOZBMI-JTQLQIEISA-N 0 3 195.237 2.259 10 0 AEAEHN NC[C@H](F)c1ccc(Cl)c(F)c1 108301978 573742854 /nfs/dbraw/zinc/74/28/54/573742854.db2.gz GOZSPQFGAMDYJB-QMMMGPOBSA-N 0 3 191.608 2.448 10 0 AEAEHN CN[C@H](CSC)c1cc(C)co1 716153058 573742886 /nfs/dbraw/zinc/74/28/86/573742886.db2.gz NRJDXTDBBHGTPL-MRVPVSSYSA-N 0 3 185.292 2.212 10 0 AEAEHN CN[C@H]1c2ccc(Cl)cc2O[C@H]1C 87015987 573742895 /nfs/dbraw/zinc/74/28/95/573742895.db2.gz SAVWDKZOUJKLNQ-QUBYGPBYSA-N 0 3 197.665 2.381 10 0 AEAEHN C[C@@](F)(CN)c1ccc2c(c1)CCC2 108303169 573742982 /nfs/dbraw/zinc/74/29/82/573742982.db2.gz AQBXBMXGFLCPKE-GFCCVEGCSA-N 0 3 193.265 2.319 10 0 AEAEHN CC[C@H]1Oc2cc(F)ccc2[C@@H]1NC 87016125 573742983 /nfs/dbraw/zinc/74/29/83/573742983.db2.gz DAANMCJPQDEBJM-KOLCDFICSA-N 0 3 195.237 2.257 10 0 AEAEHN CO[C@H](C)[C@H](N)c1sccc1C 87022371 573743026 /nfs/dbraw/zinc/74/30/26/573743026.db2.gz ZAZPXRQONSAGTN-SFYZADRCSA-N 0 3 185.292 2.091 10 0 AEAEHN NC[C@]1(F)CCCc2sccc21 108298011 573743068 /nfs/dbraw/zinc/74/30/68/573743068.db2.gz RUNFWNLJMNIVQI-SECBINFHSA-N 0 3 185.267 2.208 10 0 AEAEHN C[C@H]1Oc2cc(Cl)ccc2[C@H]1N 87016058 573745239 /nfs/dbraw/zinc/74/52/39/573745239.db2.gz NVQWJHJDUPTSPG-ANLVUFKYSA-N 0 3 183.638 2.121 10 0 AEAEHN C[C@@](F)(CN)c1cc(F)ccc1F 108300232 573745328 /nfs/dbraw/zinc/74/53/28/573745328.db2.gz DSOJQONYCPLCDQ-SECBINFHSA-N 0 3 189.180 2.108 10 0 AEAEHN Cn1cc([C@H](F)CN)c2ccccc21 108302388 573745407 /nfs/dbraw/zinc/74/54/07/573745407.db2.gz DMYDCLJXODUONV-SNVBAGLBSA-N 0 3 192.237 2.148 10 0 AEAEHN CC(C)N[C@H]1COc2cc(F)ccc21 87016146 573745420 /nfs/dbraw/zinc/74/54/20/573745420.db2.gz FHCWOMQUFDCVTJ-JTQLQIEISA-N 0 3 195.237 2.257 10 0 AEAEHN CN[C@H]1CCOc2cc(C)ccc21 87016306 573745455 /nfs/dbraw/zinc/74/54/55/573745455.db2.gz DVWRWOBWKKTTFN-JTQLQIEISA-N 0 3 177.247 2.038 10 0 AEAEHN C[C@](F)(CN)c1cc2ccccc2[nH]1 108302397 573745487 /nfs/dbraw/zinc/74/54/87/573745487.db2.gz JOADFFBXYRZSOY-NSHDSACASA-N 0 3 192.237 2.311 10 0 AEAEHN CCN[C@H]1c2ccc(F)cc2O[C@@H]1C 87016150 573745562 /nfs/dbraw/zinc/74/55/62/573745562.db2.gz ALXGTEQRXCEYJE-RDDDGLTNSA-N 0 3 195.237 2.257 10 0 AEAEHN CCc1ccc2c(c1)[C@](F)(CN)CC2 108303184 573745600 /nfs/dbraw/zinc/74/56/00/573745600.db2.gz XVSIFBUMTLKYAT-GFCCVEGCSA-N 0 3 193.265 2.319 10 0 AEAEHN Cc1ccc2c(c1)[C@](F)(CN)CCC2 108303195 573745683 /nfs/dbraw/zinc/74/56/83/573745683.db2.gz WVMHQWPMNNHXJC-GFCCVEGCSA-N 0 3 193.265 2.455 10 0 AEAEHN Fc1ccc2c(c1)OC[C@@H]2NC1CC1 87016217 573745731 /nfs/dbraw/zinc/74/57/31/573745731.db2.gz QARNXQROFYMPQH-JTQLQIEISA-N 0 3 193.221 2.011 10 0 AEAEHN CCN[C@@H]1COc2cc(Cl)ccc21 87016051 573745778 /nfs/dbraw/zinc/74/57/78/573745778.db2.gz NQHSOONPNLXIFR-SECBINFHSA-N 0 3 197.665 2.383 10 0 AEAEHN ClC(Cl)(Cl)[C@@H]1CCCN1 238498203 573747455 /nfs/dbraw/zinc/74/74/55/573747455.db2.gz UABKOUXCNPIAOM-BYPYZUCNSA-N 0 3 188.485 2.109 10 0 AEAEHN NC[C@@]1(F)CCCc2c(F)cccc21 108307809 573750183 /nfs/dbraw/zinc/75/01/83/573750183.db2.gz NNZBOMMPFDIUEQ-NSHDSACASA-N 0 3 197.228 2.286 10 0 AEAEHN COc1c(C)cc([C@H](F)CN)cc1C 108307974 573750345 /nfs/dbraw/zinc/75/03/45/573750345.db2.gz BBVBTWKZWQASIN-SNVBAGLBSA-N 0 3 197.253 2.281 10 0 AEAEHN CNCc1onc2c(Cl)cccc12 257864468 573754109 /nfs/dbraw/zinc/75/41/09/573754109.db2.gz RSNMIORHBRNKQT-UHFFFAOYSA-N 0 3 196.637 2.201 10 0 AEAEHN COc1cc(C)c(C)cc1[C@H](F)CN 108307985 573753387 /nfs/dbraw/zinc/75/33/87/573753387.db2.gz SDEGLQCWBFTOMV-SNVBAGLBSA-N 0 3 197.253 2.281 10 0 AEAEHN Cc1cc([O-])c(Cl)c([C@@H](C)C[NH3+])c1 258116425 573753491 /nfs/dbraw/zinc/75/34/91/573753491.db2.gz LTWSHSMITJPQOF-ZETCQYMHSA-N 0 3 199.681 2.416 10 0 AEAEHN CC(C)(C)C[C@H](N)c1cc(N)ccn1 238079360 573753696 /nfs/dbraw/zinc/75/36/96/573753696.db2.gz OOSPIRVAQFZPFW-VIFPVBQESA-N 0 3 193.294 2.100 10 0 AEAEHN CCOc1ccc(C)cc1C1(N)CC1 258121189 573760198 /nfs/dbraw/zinc/76/01/98/573760198.db2.gz QQBSSMAUCDUNLS-UHFFFAOYSA-N 0 3 191.274 2.342 10 0 AEAEHN Cc1ccc(NC[C@@](C)(F)CN)cc1 257869001 573760676 /nfs/dbraw/zinc/76/06/76/573760676.db2.gz SPDYEIGJQOZXFL-NSHDSACASA-N 0 3 196.269 2.094 10 0 AEAEHN Cc1cc(Cl)cc2c1[C@@H](N)CO2 238506474 573760323 /nfs/dbraw/zinc/76/03/23/573760323.db2.gz GMKOZZRZTCYHKF-ZETCQYMHSA-N 0 3 183.638 2.041 10 0 AEAEHN CCCSc1cccnc1CN 131007660 573763644 /nfs/dbraw/zinc/76/36/44/573763644.db2.gz AZUPJZBOPPUFOL-UHFFFAOYSA-N 0 3 182.292 2.042 10 0 AEAEHN C[C@@H](N)c1c(F)cc2cc[nH]c2c1F 258123864 573763793 /nfs/dbraw/zinc/76/37/93/573763793.db2.gz QVAUSMBAEDLJII-RXMQYKEDSA-N 0 3 196.200 2.466 10 0 AEAEHN Cc1ncc([C@H](N)[C@H](C)C(C)C)s1 642819214 573763861 /nfs/dbraw/zinc/76/38/61/573763861.db2.gz ADAILXIMBBBRIO-GMSGAONNSA-N 0 3 197.327 2.416 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@H]1CC=CCC1 84068051 573764044 /nfs/dbraw/zinc/76/40/44/573764044.db2.gz LYFOYMZHGCAKMZ-QWRGUYRKSA-N 0 3 193.290 2.149 10 0 AEAEHN CC(C)CSc1cccnc1CN 131005383 573764067 /nfs/dbraw/zinc/76/40/67/573764067.db2.gz VDWVAXODFJVVIN-UHFFFAOYSA-N 0 3 196.319 2.288 10 0 AEAEHN Cc1cccc([C@@H]2CCNC[C@@H]2F)c1 238508420 573764323 /nfs/dbraw/zinc/76/43/23/573764323.db2.gz LJHVPHQKFWERIO-RYUDHWBXSA-N 0 3 193.265 2.410 10 0 AEAEHN NCc1ccc(C2CCC2)nc1Cl 257872534 573767182 /nfs/dbraw/zinc/76/71/82/573767182.db2.gz TZNPXVMOJAMTCW-UHFFFAOYSA-N 0 3 196.681 2.461 10 0 AEAEHN COC[C@@H](C)[C@H](C)NCc1ccco1 308711710 573767302 /nfs/dbraw/zinc/76/73/02/573767302.db2.gz ZBUYYGFFGISFBE-ZJUUUORDSA-N 0 3 197.278 2.040 10 0 AEAEHN CCC(F)(F)[C@H]1CCCN(C)C1 258927997 573767456 /nfs/dbraw/zinc/76/74/56/573767456.db2.gz AFSXEKMOJCGHBE-QMMMGPOBSA-N 0 3 177.238 2.374 10 0 AEAEHN CN[C@@H](Cc1ccco1)c1ccco1 131152840 573767496 /nfs/dbraw/zinc/76/74/96/573767496.db2.gz SOWSCUDUQUUYCK-JTQLQIEISA-N 0 3 191.230 2.376 10 0 AEAEHN C[C@](F)(c1ccccc1F)[C@H]1CCN1 257872513 573767719 /nfs/dbraw/zinc/76/77/19/573767719.db2.gz TZCIXKOUSBNONY-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN CCC(F)(F)[C@@H]1CCCN(C)C1 258927996 573767892 /nfs/dbraw/zinc/76/78/92/573767892.db2.gz AFSXEKMOJCGHBE-MRVPVSSYSA-N 0 3 177.238 2.374 10 0 AEAEHN CC(C)c1ncc2ccc(O)cn12 257870915 573770496 /nfs/dbraw/zinc/77/04/96/573770496.db2.gz AZLXTEPPMHZMAV-UHFFFAOYSA-N 0 3 176.219 2.163 10 0 AEAEHN CN[C@H](Cc1ccoc1)c1ccco1 131152612 573770889 /nfs/dbraw/zinc/77/08/89/573770889.db2.gz ZNRUUSLCSJZXQV-SNVBAGLBSA-N 0 3 191.230 2.376 10 0 AEAEHN CCc1cc([C@H](C)N)c(OC)cc1F 258126556 573772735 /nfs/dbraw/zinc/77/27/35/573772735.db2.gz RDHIIHHDAYNHKC-ZETCQYMHSA-N 0 3 197.253 2.416 10 0 AEAEHN CC(C)c1ccc(CN(C)CN)cc1 258940348 573772904 /nfs/dbraw/zinc/77/29/04/573772904.db2.gz STRCBDMMFAPASL-UHFFFAOYSA-N 0 3 192.306 2.158 10 0 AEAEHN CC(C)c1ccnc([C@@H](C)N)c1 259181105 573773019 /nfs/dbraw/zinc/77/30/19/573773019.db2.gz IERVASBBJDYJEJ-MRVPVSSYSA-N 0 3 164.252 2.225 10 0 AEAEHN CC[C@H](CC1CC1)NCc1cocn1 308719164 573773254 /nfs/dbraw/zinc/77/32/54/573773254.db2.gz CMWAFLVDLVTSGW-SNVBAGLBSA-N 0 3 194.278 2.343 10 0 AEAEHN Cc1cc([O-])c(Cl)cc1[C@@H](C)C[NH3+] 258126903 573774186 /nfs/dbraw/zinc/77/41/86/573774186.db2.gz MSUSUWAWEPXNLQ-ZETCQYMHSA-N 0 3 199.681 2.416 10 0 AEAEHN Cc1cc([C@@H]2CCNC[C@H]2F)oc1C 238511159 573774439 /nfs/dbraw/zinc/77/44/39/573774439.db2.gz YQBRPRBNGIYFLR-NXEZZACHSA-N 0 3 197.253 2.311 10 0 AEAEHN Cc1ccc(N)c2c(C)nccc12 238510950 573774507 /nfs/dbraw/zinc/77/45/07/573774507.db2.gz DJAGBRVCODPNSW-UHFFFAOYSA-N 0 3 172.231 2.434 10 0 AEAEHN CC[C@@H](CC1CC1)NCc1cocn1 308719163 573774587 /nfs/dbraw/zinc/77/45/87/573774587.db2.gz CMWAFLVDLVTSGW-JTQLQIEISA-N 0 3 194.278 2.343 10 0 AEAEHN CNC[C@](C)(F)c1cccc(F)c1 257875420 573774893 /nfs/dbraw/zinc/77/48/93/573774893.db2.gz ZDQXIHLQVZMOLS-JTQLQIEISA-N 0 3 185.217 2.230 10 0 AEAEHN CNC[C@@](C)(F)Cc1ccccc1F 257876962 573776569 /nfs/dbraw/zinc/77/65/69/573776569.db2.gz RJGYFDCWTJETRJ-NSHDSACASA-N 0 3 199.244 2.316 10 0 AEAEHN Cc1cnc(C)c(CN)c1C(F)F 238512945 573776723 /nfs/dbraw/zinc/77/67/23/573776723.db2.gz FRGZVEYCLLKZCQ-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN C[C@@H](F)Oc1ccc2c(c1)CCNC2 257876792 573776737 /nfs/dbraw/zinc/77/67/37/573776737.db2.gz AXXKEPWCXVDDKP-QMMMGPOBSA-N 0 3 195.237 2.027 10 0 AEAEHN C[C@@H](N)c1ccccc1OC1CC1 108369054 573777054 /nfs/dbraw/zinc/77/70/54/573777054.db2.gz JVDXJCJYRZWTKZ-MRVPVSSYSA-N 0 3 177.247 2.248 10 0 AEAEHN CC(C)CCN1CCC(=O)C(C)(C)C1 258935403 573778325 /nfs/dbraw/zinc/77/83/25/573778325.db2.gz XSKDCYLNDUOVIK-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN COc1c(C)cc(F)cc1[C@H](C)N 108369924 573778347 /nfs/dbraw/zinc/77/83/47/573778347.db2.gz SQBRMZXCPWKTCY-ZETCQYMHSA-N 0 3 183.226 2.162 10 0 AEAEHN CNC[C@](C)(F)Cc1ccccc1F 257876960 573778395 /nfs/dbraw/zinc/77/83/95/573778395.db2.gz RJGYFDCWTJETRJ-LLVKDONJSA-N 0 3 199.244 2.316 10 0 AEAEHN CCCCCNc1ncc(CN)s1 258937522 573778492 /nfs/dbraw/zinc/77/84/92/573778492.db2.gz KHFYRDKJMNTGDT-UHFFFAOYSA-N 0 3 199.323 2.204 10 0 AEAEHN CN[C@@H](CC(C)=O)c1cccc(F)c1 259569942 573778534 /nfs/dbraw/zinc/77/85/34/573778534.db2.gz WPYZOLPYRCOGFT-NSHDSACASA-N 0 3 195.237 2.065 10 0 AEAEHN CC(C)(C)Sc1ccc(CN)nc1 122648306 573778857 /nfs/dbraw/zinc/77/88/57/573778857.db2.gz QRJLBJAWBZXJRK-UHFFFAOYSA-N 0 3 196.319 2.431 10 0 AEAEHN Clc1cocc1[C@@H]1CCCN1 238513737 573778901 /nfs/dbraw/zinc/77/89/01/573778901.db2.gz JTIGNQIUWGIWBQ-QMMMGPOBSA-N 0 3 171.627 2.358 10 0 AEAEHN COc1c(C)cc(F)cc1[C@@H](C)N 108369923 573781194 /nfs/dbraw/zinc/78/11/94/573781194.db2.gz SQBRMZXCPWKTCY-SSDOTTSWSA-N 0 3 183.226 2.162 10 0 AEAEHN C[C@H](F)Oc1ccc2c(c1)CCNC2 257876791 573781439 /nfs/dbraw/zinc/78/14/39/573781439.db2.gz AXXKEPWCXVDDKP-MRVPVSSYSA-N 0 3 195.237 2.027 10 0 AEAEHN Cc1nn([C@H]2CC[C@@H](C)C2)cc1CN 716170846 573781546 /nfs/dbraw/zinc/78/15/46/573781546.db2.gz UCXLLMGFHWUZCA-KCJUWKMLSA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1nn([C@H]2CC[C@H](C)C2)cc1CN 716170851 573781832 /nfs/dbraw/zinc/78/18/32/573781832.db2.gz UCXLLMGFHWUZCA-KWQFWETISA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1ccoc1CN[C@@H]1C[C@@H]1C1CC1 308741641 573783353 /nfs/dbraw/zinc/78/33/53/573783353.db2.gz PEPWYEOASWWBBH-GHMZBOCLSA-N 0 3 191.274 2.476 10 0 AEAEHN CCCC(=O)CN(C)CCC1CC1 308431559 573783528 /nfs/dbraw/zinc/78/35/28/573783528.db2.gz ZVVLWLCSISXRFY-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN Cc1ccoc1CN[C@H]1C[C@@H]1C1CC1 308741642 573783633 /nfs/dbraw/zinc/78/36/33/573783633.db2.gz PEPWYEOASWWBBH-MNOVXSKESA-N 0 3 191.274 2.476 10 0 AEAEHN C[C@@H](N)c1cc(Cl)cc2c1OCO2 108375524 573783793 /nfs/dbraw/zinc/78/37/93/573783793.db2.gz VZFHURLKGCLNMS-RXMQYKEDSA-N 0 3 199.637 2.088 10 0 AEAEHN CN1CCC[C@@H](C(F)(F)C2CC2)C1 258942008 573787067 /nfs/dbraw/zinc/78/70/67/573787067.db2.gz CPZOUQCKPJNKEO-SECBINFHSA-N 0 3 189.249 2.374 10 0 AEAEHN C[C@H](N)c1cc(Cl)cc2c1OCO2 108375519 573786425 /nfs/dbraw/zinc/78/64/25/573786425.db2.gz VZFHURLKGCLNMS-YFKPBYRVSA-N 0 3 199.637 2.088 10 0 AEAEHN Cc1ccoc1CN[C@H]1C[C@H]1C1CC1 308741643 573786600 /nfs/dbraw/zinc/78/66/00/573786600.db2.gz PEPWYEOASWWBBH-QWRGUYRKSA-N 0 3 191.274 2.476 10 0 AEAEHN CCCCNc1cccc(N(C)C)n1 308740250 573786610 /nfs/dbraw/zinc/78/66/10/573786610.db2.gz OHGQNPZNBGVUAJ-UHFFFAOYSA-N 0 3 193.294 2.360 10 0 AEAEHN C[C@]1(c2ccc(F)cc2F)CCN1 84179087 573786897 /nfs/dbraw/zinc/78/68/97/573786897.db2.gz BYTNNCKUPZOATR-SNVBAGLBSA-N 0 3 183.201 2.173 10 0 AEAEHN Cc1cccc([C@H]2CCNC[C@@H]2F)c1 238517361 573786965 /nfs/dbraw/zinc/78/69/65/573786965.db2.gz LJHVPHQKFWERIO-NEPJUHHUSA-N 0 3 193.265 2.410 10 0 AEAEHN CC(C)NCc1nc(C2CCC2)c[nH]1 259189668 573792285 /nfs/dbraw/zinc/79/22/85/573792285.db2.gz WTASQEBJHWQNDE-UHFFFAOYSA-N 0 3 193.294 2.175 10 0 AEAEHN CC(C)(C)NC1=NCCCCS1 238103152 573792745 /nfs/dbraw/zinc/79/27/45/573792745.db2.gz DSGULSVBIOCOTC-UHFFFAOYSA-N 0 3 186.324 2.258 10 0 AEAEHN CCCC[C@@H]1CCC[C@@H]1NC1COC1 308731752 573792771 /nfs/dbraw/zinc/79/27/71/573792771.db2.gz JTZGLVTWSNJHCK-PWSUYJOCSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC[C@H]1CCC[C@@H]1NC1COC1 308731751 573794119 /nfs/dbraw/zinc/79/41/19/573794119.db2.gz JTZGLVTWSNJHCK-JQWIXIFHSA-N 0 3 197.322 2.334 10 0 AEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1ncc[nH]1 308727529 573793637 /nfs/dbraw/zinc/79/36/37/573793637.db2.gz HIYSRGODWSNNHV-OPRDCNLKSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@]1(c2cc(F)ccc2F)CCN1 84179139 573793800 /nfs/dbraw/zinc/79/38/00/573793800.db2.gz PTYIVMUQELRSPZ-SNVBAGLBSA-N 0 3 183.201 2.173 10 0 AEAEHN C[C@@]1(c2ccccc2F)CCN1 84179146 573793837 /nfs/dbraw/zinc/79/38/37/573793837.db2.gz CKVXLGWNDDHBMR-JTQLQIEISA-N 0 3 165.211 2.034 10 0 AEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1ncc[nH]1 308727524 573794020 /nfs/dbraw/zinc/79/40/20/573794020.db2.gz HIYSRGODWSNNHV-BBBLOLIVSA-N 0 3 193.294 2.249 10 0 AEAEHN C[NH2+][C@H](C)c1cc2c([O-])cccc2o1 258128556 573798897 /nfs/dbraw/zinc/79/88/97/573798897.db2.gz JZHQPGJSSGDABE-SSDOTTSWSA-N 0 3 191.230 2.419 10 0 AEAEHN C[C@H](NCc1nccs1)C1(C)CC1 41012462 573799313 /nfs/dbraw/zinc/79/93/13/573799313.db2.gz PAPMSASZMKQUBL-QMMMGPOBSA-N 0 3 196.319 2.421 10 0 AEAEHN CN[C@@H](C)c1cnc(C2CCC2)o1 258130942 573799409 /nfs/dbraw/zinc/79/94/09/573799409.db2.gz PFTNSUZLJYPXKP-ZETCQYMHSA-N 0 3 180.251 2.223 10 0 AEAEHN CCCCNCSCCC 143476580 573799575 /nfs/dbraw/zinc/79/95/75/573799575.db2.gz LHMWWWATYFTNPA-UHFFFAOYSA-N 0 3 161.314 2.477 10 0 AEAEHN NCc1cnoc1[C@@H]1CCCCS1 258427209 573799721 /nfs/dbraw/zinc/79/97/21/573799721.db2.gz FLMYYYZLNSUGAQ-QMMMGPOBSA-N 0 3 198.291 2.092 10 0 AEAEHN NCc1cnoc1[C@H]1CCCCS1 258427207 573800077 /nfs/dbraw/zinc/80/00/77/573800077.db2.gz FLMYYYZLNSUGAQ-MRVPVSSYSA-N 0 3 198.291 2.092 10 0 AEAEHN C[C@@H]1NC[C@@H](CC(C)(C)C)O[C@H]1C 87148583 573801029 /nfs/dbraw/zinc/80/10/29/573801029.db2.gz MXRPCANJSPSBOF-LPEHRKFASA-N 0 3 185.311 2.188 10 0 AEAEHN Cc1ccc(N2CCCC2=N)c(C)n1 87152445 573801199 /nfs/dbraw/zinc/80/11/99/573801199.db2.gz ACPULYRNESNVBM-UHFFFAOYSA-N 0 3 189.262 2.276 10 0 AEAEHN CNC[C@](C)(F)c1ccc(Cl)o1 257878501 573801557 /nfs/dbraw/zinc/80/15/57/573801557.db2.gz ZZJRRYBNYGZQSV-QMMMGPOBSA-N 0 3 191.633 2.337 10 0 AEAEHN CC(=O)CNCC(C)(C)CC(C)C 258953772 573802837 /nfs/dbraw/zinc/80/28/37/573802837.db2.gz RYBBHGUWHSNXDR-UHFFFAOYSA-N 0 3 185.311 2.237 10 0 AEAEHN CCC(CC)[C@@H]1CN[C@@H](C)[C@H](C)O1 87148657 573802094 /nfs/dbraw/zinc/80/20/94/573802094.db2.gz SJMMTPNNFQJTAN-QXEWZRGKSA-N 0 3 185.311 2.188 10 0 AEAEHN CNC[C@@](C)(F)c1ccc(Cl)o1 257878499 573802119 /nfs/dbraw/zinc/80/21/19/573802119.db2.gz ZZJRRYBNYGZQSV-MRVPVSSYSA-N 0 3 191.633 2.337 10 0 AEAEHN Cc1cc(C(F)F)nc(C)c1CN 238514439 573802253 /nfs/dbraw/zinc/80/22/53/573802253.db2.gz DIOZANAPLHWFHM-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CCC[C@H](C)[C@@H]1CN[C@H](C)[C@H](C)O1 87148467 573802367 /nfs/dbraw/zinc/80/23/67/573802367.db2.gz JQEJQUREDZBJRI-VLEAKVRGSA-N 0 3 185.311 2.188 10 0 AEAEHN CC(=O)[C@@H](C1CCC1)N1CCCCC1 259194779 573802478 /nfs/dbraw/zinc/80/24/78/573802478.db2.gz HXFQMTNNCJSLPN-LBPRGKRZSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)Nc1cc(Cl)ncc1CN 258134140 573802715 /nfs/dbraw/zinc/80/27/15/573802715.db2.gz QMOQOMZEZKTTNK-UHFFFAOYSA-N 0 3 199.685 2.014 10 0 AEAEHN CCCn1c(N)nc2ccc(C)cc21 87150894 573803227 /nfs/dbraw/zinc/80/32/27/573803227.db2.gz ILAUURUOIUDPAW-UHFFFAOYSA-N 0 3 189.262 2.337 10 0 AEAEHN CCN(C)Cc1ccc2ncoc2c1 258954988 573803413 /nfs/dbraw/zinc/80/34/13/573803413.db2.gz AEUGIIAHJPTDBB-UHFFFAOYSA-N 0 3 190.246 2.280 10 0 AEAEHN Cc1ccc2nc(N)n(C3CC3)c2c1 87150888 573803480 /nfs/dbraw/zinc/80/34/80/573803480.db2.gz LKERTFUODGSQNW-UHFFFAOYSA-N 0 3 187.246 2.262 10 0 AEAEHN CNc1nc(CCCC(C)C)c[nH]1 258958019 573805895 /nfs/dbraw/zinc/80/58/95/573805895.db2.gz ZPEANRNUDBLKTL-UHFFFAOYSA-N 0 3 181.283 2.430 10 0 AEAEHN Cc1cc(C(F)F)nc(CN)c1C 238516197 573806069 /nfs/dbraw/zinc/80/60/69/573806069.db2.gz RYPHIHHCKQOOBH-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CN[C@H](C)[C@H](F)Cc1ccccc1 257879135 573809547 /nfs/dbraw/zinc/80/95/47/573809547.db2.gz LRHCPNVJFXHTIK-MWLCHTKSSA-N 0 3 181.254 2.175 10 0 AEAEHN CCc1ncc2ccc(C)cn12 257878981 573811702 /nfs/dbraw/zinc/81/17/02/573811702.db2.gz CARZQZUJFDFBKV-UHFFFAOYSA-N 0 3 160.220 2.205 10 0 AEAEHN CN[C@@H](C)[C@H](F)Cc1ccccc1 257879121 573811781 /nfs/dbraw/zinc/81/17/81/573811781.db2.gz LRHCPNVJFXHTIK-GXSJLCMTSA-N 0 3 181.254 2.175 10 0 AEAEHN Cc1cc(C(C)(C)C)c(O)cc1CN 258140976 573811812 /nfs/dbraw/zinc/81/18/12/573811812.db2.gz SNMATEDQAPSCMR-UHFFFAOYSA-N 0 3 193.290 2.457 10 0 AEAEHN COc1c(SC)cccc1[C@H](C)N 258140875 573811846 /nfs/dbraw/zinc/81/18/46/573811846.db2.gz SKNASVWEVSORJZ-ZETCQYMHSA-N 0 3 197.303 2.437 10 0 AEAEHN [NH3+]C/C=C/c1ccc(Cl)cc1[O-] 258140852 573812087 /nfs/dbraw/zinc/81/20/87/573812087.db2.gz SJXZKENSFQMGIX-OWOJBTEDSA-N 0 3 183.638 2.018 10 0 AEAEHN CN1CCC(CC2(O)CCCC2)CC1 258140334 573812126 /nfs/dbraw/zinc/81/21/26/573812126.db2.gz VJTIMZBOZJTLCW-UHFFFAOYSA-N 0 3 197.322 2.023 10 0 AEAEHN CN[C@H](CC(C)C)c1ccnc(C)n1 125162277 573812262 /nfs/dbraw/zinc/81/22/62/573812262.db2.gz OMXBYZPQUQEELN-LLVKDONJSA-N 0 3 193.294 2.092 10 0 AEAEHN Cc1cccc([C@H](N)COC(C)C)c1 41046938 573812415 /nfs/dbraw/zinc/81/24/15/573812415.db2.gz BPYLGGSJMICTOG-GFCCVEGCSA-N 0 3 193.290 2.420 10 0 AEAEHN CCc1c[nH]c(C2(N)CCCCC2)n1 257883462 573819516 /nfs/dbraw/zinc/81/95/16/573819516.db2.gz VWEGVGIGNIBOPV-UHFFFAOYSA-N 0 3 193.294 2.090 10 0 AEAEHN C[C@@H]1C[C@H](NC2COC2)CC(C)(C)C1 87195031 573819086 /nfs/dbraw/zinc/81/90/86/573819086.db2.gz BCAVJYOQIMZISU-ZJUUUORDSA-N 0 3 197.322 2.190 10 0 AEAEHN C[C@@H]1C[C@@H](NC2COC2)CC(C)(C)C1 87195033 573819191 /nfs/dbraw/zinc/81/91/91/573819191.db2.gz BCAVJYOQIMZISU-NXEZZACHSA-N 0 3 197.322 2.190 10 0 AEAEHN CC1(C)CCC[C@H](NC2COC2)CC1 87194643 573819285 /nfs/dbraw/zinc/81/92/85/573819285.db2.gz KZCNCXQCKPFAPH-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CC(C)[C@]1(C)CC(F)(F)CN1 258145587 573819326 /nfs/dbraw/zinc/81/93/26/573819326.db2.gz ROKSLDSKCLZOCF-ZETCQYMHSA-N 0 3 163.211 2.030 10 0 AEAEHN CC(C)(C)[C@@H](N)c1c(N)cccc1F 238135267 573820723 /nfs/dbraw/zinc/82/07/23/573820723.db2.gz LAQXPDTZMTZTNB-JTQLQIEISA-N 0 3 196.269 2.454 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cc(F)ccc1N 238137197 573820782 /nfs/dbraw/zinc/82/07/82/573820782.db2.gz PUBWIUGLQLQZNU-JTQLQIEISA-N 0 3 196.269 2.454 10 0 AEAEHN C[C@H]1C[C@@H](NC2COC2)CC(C)(C)C1 87195034 573820811 /nfs/dbraw/zinc/82/08/11/573820811.db2.gz BCAVJYOQIMZISU-VHSXEESVSA-N 0 3 197.322 2.190 10 0 AEAEHN CN[C@@H](c1ccnc(C)n1)C(C)(C)C 125181629 573821028 /nfs/dbraw/zinc/82/10/28/573821028.db2.gz XJCMZIVTNOFWTR-JTQLQIEISA-N 0 3 193.294 2.092 10 0 AEAEHN Fc1ccccc1[C@H]1NCC2CC1C2 257883465 573821105 /nfs/dbraw/zinc/82/11/05/573821105.db2.gz VWFSFCYXKUIYIS-KWPJZBAWSA-N 0 3 191.249 2.496 10 0 AEAEHN CCn1ncc([C@@H](C)NC)c1C(C)C 257884604 573824648 /nfs/dbraw/zinc/82/46/48/573824648.db2.gz WANMIAMODPPEQO-SECBINFHSA-N 0 3 195.310 2.307 10 0 AEAEHN C[C@@]1(c2ccccc2F)C[C@@H](F)CN1 258149248 573824727 /nfs/dbraw/zinc/82/47/27/573824727.db2.gz RXUOYJIMTHSHIJ-KCJUWKMLSA-N 0 3 197.228 2.372 10 0 AEAEHN Cc1nc(CN)cc(C(F)F)c1C 238524936 573824785 /nfs/dbraw/zinc/82/47/85/573824785.db2.gz UPVPHTZEMXOPCG-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CCCC[C@H](N)c1nnc(C(C)C)[nH]1 41058571 573824901 /nfs/dbraw/zinc/82/49/01/573824901.db2.gz BNIFWFBHHATLSD-QMMMGPOBSA-N 0 3 196.298 2.118 10 0 AEAEHN CCCC[C@H](N)c1n[nH]c(C(C)C)n1 41058571 573824906 /nfs/dbraw/zinc/82/49/06/573824906.db2.gz BNIFWFBHHATLSD-QMMMGPOBSA-N 0 3 196.298 2.118 10 0 AEAEHN Cc1cc(F)c([C@]2(C)CCN2)cc1F 87220707 573826015 /nfs/dbraw/zinc/82/60/15/573826015.db2.gz YYZNYMMWKSQFJG-NSHDSACASA-N 0 3 197.228 2.482 10 0 AEAEHN Cc1nccc2c1C=C[C@H]1C=CN[C@H]21 238524778 573825457 /nfs/dbraw/zinc/82/54/57/573825457.db2.gz FIYXFJRRRAYBPY-CABZTGNLSA-N 0 3 184.242 2.191 10 0 AEAEHN Cc1cc([C@H]2CCNC[C@@H]2F)oc1C 238525171 573825466 /nfs/dbraw/zinc/82/54/66/573825466.db2.gz YQBRPRBNGIYFLR-UWVGGRQHSA-N 0 3 197.253 2.311 10 0 AEAEHN CN[C@H](C)[C@H](F)c1cccc(O)c1 257884896 573825625 /nfs/dbraw/zinc/82/56/25/573825625.db2.gz MMEGHUJRJPHLIG-XCBNKYQSSA-N 0 3 183.226 2.011 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccc(F)cc1N 238140024 573825682 /nfs/dbraw/zinc/82/56/82/573825682.db2.gz YESIICLBODMOQD-JTQLQIEISA-N 0 3 196.269 2.454 10 0 AEAEHN Cc1cc(F)c2c(c1F)CCN[C@@H]2C 87220371 573827679 /nfs/dbraw/zinc/82/76/79/573827679.db2.gz AFJGMFLZKBAPAC-SSDOTTSWSA-N 0 3 197.228 2.480 10 0 AEAEHN Cc1cc(F)c2c(c1F)CNC[C@H]2C 87220336 573826966 /nfs/dbraw/zinc/82/69/66/573826966.db2.gz FHZSWJYPYOMDPX-SSDOTTSWSA-N 0 3 197.228 2.480 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1cccc(O)c1 257884895 573827279 /nfs/dbraw/zinc/82/72/79/573827279.db2.gz MMEGHUJRJPHLIG-OIBJUYFYSA-N 0 3 183.226 2.011 10 0 AEAEHN C[C@@]1(C2CCCCC2)CC(=O)CCN1 258143714 573829521 /nfs/dbraw/zinc/82/95/21/573829521.db2.gz RIVPYCIARYKWFO-LBPRGKRZSA-N 0 3 195.306 2.278 10 0 AEAEHN COc1ccc(S[C@H](C)N)cc1C 259204793 573829599 /nfs/dbraw/zinc/82/95/99/573829599.db2.gz KYGHMJLFEGBOOC-MRVPVSSYSA-N 0 3 197.303 2.400 10 0 AEAEHN Cc1cc(F)c([C@@]2(C)CCN2)cc1F 87220709 573829782 /nfs/dbraw/zinc/82/97/82/573829782.db2.gz YYZNYMMWKSQFJG-LLVKDONJSA-N 0 3 197.228 2.482 10 0 AEAEHN CCC(CC)(NC)c1nccs1 41060384 573829908 /nfs/dbraw/zinc/82/99/08/573829908.db2.gz URIOJCPNEWHCCP-UHFFFAOYSA-N 0 3 184.308 2.378 10 0 AEAEHN CC[C@@H](C)[C@H](NC)c1nccs1 41060438 573829951 /nfs/dbraw/zinc/82/99/51/573829951.db2.gz FNLDRANEQVQSDG-SFYZADRCSA-N 0 3 184.308 2.450 10 0 AEAEHN Cc1cc(Cl)c2c(c1)OC[C@@H]2N 238533074 573835142 /nfs/dbraw/zinc/83/51/42/573835142.db2.gz MVJIPPNGAAFMIL-ZETCQYMHSA-N 0 3 183.638 2.041 10 0 AEAEHN Cc1ncc([C@H](N)C(C)C)s1 84331899 573834856 /nfs/dbraw/zinc/83/48/56/573834856.db2.gz WSUJCPWRPMVZRK-MRVPVSSYSA-N 0 3 170.281 2.107 10 0 AEAEHN Cc1cc(N(C)C)c([C@@H](C)N)cc1F 87224960 573834930 /nfs/dbraw/zinc/83/49/30/573834930.db2.gz PDXIIZWQSMZKRH-MRVPVSSYSA-N 0 3 196.269 2.220 10 0 AEAEHN CCc1cc(F)c(F)c(C2(N)CC2)c1 258152938 573835228 /nfs/dbraw/zinc/83/52/28/573835228.db2.gz UGDPZQLDOUZLAP-UHFFFAOYSA-N 0 3 197.228 2.475 10 0 AEAEHN COc1cc(C)c(F)cc1[C@@H](C)N 87225006 573835231 /nfs/dbraw/zinc/83/52/31/573835231.db2.gz LAJWCPRXJCXEBG-SSDOTTSWSA-N 0 3 183.226 2.162 10 0 AEAEHN CN[C@H](c1ccco1)[C@@]1(C)CCCO1 87228509 573838487 /nfs/dbraw/zinc/83/84/87/573838487.db2.gz FWWXDYVLLWZDJQ-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@H](c1ccco1)[C@]1(C)CCCO1 87228510 573838537 /nfs/dbraw/zinc/83/85/37/573838537.db2.gz FWWXDYVLLWZDJQ-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN C[C@@]1([C@H](N)c2cccs2)CCCO1 87227962 573838599 /nfs/dbraw/zinc/83/85/99/573838599.db2.gz SSWGFXSHHISRFI-ZJUUUORDSA-N 0 3 197.303 2.317 10 0 AEAEHN CCN[C@@H](C)c1c(CC)noc1C 308451678 573838731 /nfs/dbraw/zinc/83/87/31/573838731.db2.gz DPDULEOMRJXUBM-ZETCQYMHSA-N 0 3 182.267 2.216 10 0 AEAEHN C[C@H]1CNC[C@@H]([C@H]2CCC[C@@H](C)C2)O1 84347572 573838744 /nfs/dbraw/zinc/83/87/44/573838744.db2.gz QAYVHJXCKMHWIL-RHYQMDGZSA-N 0 3 197.322 2.190 10 0 AEAEHN C[C@@]1([C@H](N)c2ccccc2)CCCO1 87227870 573838752 /nfs/dbraw/zinc/83/87/52/573838752.db2.gz IDLGHEQZMGALPE-NEPJUHHUSA-N 0 3 191.274 2.256 10 0 AEAEHN C[C@]1([C@H](N)c2ccccc2)CCCO1 87227869 573838776 /nfs/dbraw/zinc/83/87/76/573838776.db2.gz IDLGHEQZMGALPE-VXGBXAGGSA-N 0 3 191.274 2.256 10 0 AEAEHN CN[C@@H](c1ccco1)[C@@]1(C)CCCO1 87228511 573838870 /nfs/dbraw/zinc/83/88/70/573838870.db2.gz FWWXDYVLLWZDJQ-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN C[C@]1([C@@H](N)c2cccs2)CCCO1 87227963 573838926 /nfs/dbraw/zinc/83/89/26/573838926.db2.gz SSWGFXSHHISRFI-VHSXEESVSA-N 0 3 197.303 2.317 10 0 AEAEHN CN[C@H](c1ccoc1)[C@]1(C)CCCO1 87228434 573838943 /nfs/dbraw/zinc/83/89/43/573838943.db2.gz XSHYSZBITMCILZ-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@H](c1ccoc1)[C@@]1(C)CCCO1 87228433 573839198 /nfs/dbraw/zinc/83/91/98/573839198.db2.gz XSHYSZBITMCILZ-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@@H](c1ccoc1)[C@]1(C)CCCO1 87228436 573839207 /nfs/dbraw/zinc/83/92/07/573839207.db2.gz XSHYSZBITMCILZ-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CC(C)C[C@H]1CC[C@]2(C)NCCN2C1 238158517 573840301 /nfs/dbraw/zinc/84/03/01/573840301.db2.gz CGROSEWKMFJOPD-VXGBXAGGSA-N 0 3 196.338 2.064 10 0 AEAEHN C[C@@]1([C@@H](N)c2cccs2)CCCO1 87227964 573840389 /nfs/dbraw/zinc/84/03/89/573840389.db2.gz SSWGFXSHHISRFI-UWVGGRQHSA-N 0 3 197.303 2.317 10 0 AEAEHN C[C@@]1([C@@H](N)c2ccsc2)CCCO1 87228184 573840424 /nfs/dbraw/zinc/84/04/24/573840424.db2.gz GTMFLMPZBYVICB-UWVGGRQHSA-N 0 3 197.303 2.317 10 0 AEAEHN CNCc1ccccc1SCCF 214987581 573840506 /nfs/dbraw/zinc/84/05/06/573840506.db2.gz GZHWGGAMBIRWCD-UHFFFAOYSA-N 0 3 199.294 2.468 10 0 AEAEHN Fc1cc([C@H]2CCCCN2)co1 238535624 573843969 /nfs/dbraw/zinc/84/39/69/573843969.db2.gz YEYDJXIRMVVDOV-MRVPVSSYSA-N 0 3 169.199 2.233 10 0 AEAEHN Cc1nc(C)c([C@H](N)C2CC2)s1 84343720 573844089 /nfs/dbraw/zinc/84/40/89/573844089.db2.gz VTQISSBQWMVYLB-MRVPVSSYSA-N 0 3 182.292 2.170 10 0 AEAEHN CO[C@H](C)CN(C)CC=C1CCC1 308450516 573844266 /nfs/dbraw/zinc/84/42/66/573844266.db2.gz DGURTUWSCIYOHM-SNVBAGLBSA-N 0 3 183.295 2.063 10 0 AEAEHN CO[C@@H](C)CN(C)CC=C1CCC1 308450514 573844654 /nfs/dbraw/zinc/84/46/54/573844654.db2.gz DGURTUWSCIYOHM-JTQLQIEISA-N 0 3 183.295 2.063 10 0 AEAEHN N[C@H](CCC1CC1)c1ncccc1F 131356347 573846000 /nfs/dbraw/zinc/84/60/00/573846000.db2.gz RYIBMZQXVQFHNW-SNVBAGLBSA-N 0 3 194.253 2.411 10 0 AEAEHN Cc1cccc2c1[C@@](F)(CN)CC2 257888209 573846255 /nfs/dbraw/zinc/84/62/55/573846255.db2.gz NAGQGLXNJFHDTB-NSHDSACASA-N 0 3 179.238 2.065 10 0 AEAEHN Cc1c(C(F)F)cnc(CN)c1C 238539808 573849608 /nfs/dbraw/zinc/84/96/08/573849608.db2.gz ZDMCIXFVQLRNDX-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN Cc1ccc([C@H]2CCNC[C@H]2F)o1 238541512 573849635 /nfs/dbraw/zinc/84/96/35/573849635.db2.gz GUIODTKDKRBTQD-DTWKUNHWSA-N 0 3 183.226 2.003 10 0 AEAEHN Cc1cc([C@@H](N)CCCO)sc1C 211645445 573848925 /nfs/dbraw/zinc/84/89/25/573848925.db2.gz FMNMQIJHHWLUHM-VIFPVBQESA-N 0 3 199.319 2.137 10 0 AEAEHN Cc1cc(C)c(CN)c(C(F)F)n1 238539509 573849696 /nfs/dbraw/zinc/84/96/96/573849696.db2.gz RWJUZKYOIAYGAJ-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN N[C@@H](CCC1CC1)c1ncccc1F 131356559 573849066 /nfs/dbraw/zinc/84/90/66/573849066.db2.gz RYIBMZQXVQFHNW-JTQLQIEISA-N 0 3 194.253 2.411 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1ccc(F)cc1 257888123 573849528 /nfs/dbraw/zinc/84/95/28/573849528.db2.gz MXPZDQIPGYUXKC-OIBJUYFYSA-N 0 3 185.217 2.444 10 0 AEAEHN CC[C@@H]1CCCC[C@H]1N1CC(C)(O)C1 84356400 573851359 /nfs/dbraw/zinc/85/13/59/573851359.db2.gz DXRRRDOOAWJAOB-GHMZBOCLSA-N 0 3 197.322 2.022 10 0 AEAEHN CC1(C)CCN([C@H]2CCCCC2=O)C1 87256882 573850803 /nfs/dbraw/zinc/85/08/03/573850803.db2.gz QBLMDZFFGLNBKV-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN C/C=C/CCNCc1ccc(C)cn1 131364559 573851137 /nfs/dbraw/zinc/85/11/37/573851137.db2.gz KSTJXAXOEURNSV-ONEGZZNKSA-N 0 3 190.290 2.446 10 0 AEAEHN CC[C@@H]1CCCC[C@@H]1N1CC(C)(O)C1 84356393 573852825 /nfs/dbraw/zinc/85/28/25/573852825.db2.gz DXRRRDOOAWJAOB-MNOVXSKESA-N 0 3 197.322 2.022 10 0 AEAEHN C[C@@]1(CNc2ccncc2)CCCO1 87256202 573855245 /nfs/dbraw/zinc/85/52/45/573855245.db2.gz MPUSTKSFKYMNMZ-NSHDSACASA-N 0 3 192.262 2.063 10 0 AEAEHN CC(C)(C)[C@H](N)c1cc(N)ccc1F 238172698 573854609 /nfs/dbraw/zinc/85/46/09/573854609.db2.gz HKRRGSAVHHVHQW-SNVBAGLBSA-N 0 3 196.269 2.454 10 0 AEAEHN CCn1nc([C@H](C)N)cc1C(C)(C)C 257887557 573854678 /nfs/dbraw/zinc/85/46/78/573854678.db2.gz WONCQYJEZVXNBB-QMMMGPOBSA-N 0 3 195.310 2.220 10 0 AEAEHN CC[C@H]1CCC[C@@H](N2CC(C)(O)C2)C1 84357591 573855070 /nfs/dbraw/zinc/85/50/70/573855070.db2.gz FWUPOPGDAWNCIV-WDEREUQCSA-N 0 3 197.322 2.022 10 0 AEAEHN c1cc2c(c(OCC3CC3)c1)CNC2 258156359 573856267 /nfs/dbraw/zinc/85/62/67/573856267.db2.gz WLSZWJIHPPQKAG-UHFFFAOYSA-N 0 3 189.258 2.079 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC(C)(C)C1 87256857 573856413 /nfs/dbraw/zinc/85/64/13/573856413.db2.gz ZUPZCFMGZDXWFP-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CCC1(O)CN([C@H]2CCC[C@@H](C)C2)C1 84359893 573856873 /nfs/dbraw/zinc/85/68/73/573856873.db2.gz MPIQIRDDMZMCGS-MNOVXSKESA-N 0 3 197.322 2.022 10 0 AEAEHN CCC1(O)CN([C@@H]2CCC[C@@H](C)C2)C1 84359889 573856884 /nfs/dbraw/zinc/85/68/84/573856884.db2.gz MPIQIRDDMZMCGS-GHMZBOCLSA-N 0 3 197.322 2.022 10 0 AEAEHN NCc1csnc1-c1cccs1 84359944 573857124 /nfs/dbraw/zinc/85/71/24/573857124.db2.gz CYPLGNKSEQYAHR-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC[C@@H](C)[C@@H]1CNc2cnccc2N1 87261085 573857232 /nfs/dbraw/zinc/85/72/32/573857232.db2.gz JSWYPJAYNZIWFV-SCZZXKLOSA-N 0 3 191.278 2.334 10 0 AEAEHN CCN[C@@H](C)c1c[nH]c(C2(C)CC2)n1 393669471 573857420 /nfs/dbraw/zinc/85/74/20/573857420.db2.gz ILCHLAUPGGNINX-QMMMGPOBSA-N 0 3 193.294 2.132 10 0 AEAEHN CCC1(O)CN([C@@H]2CCC[C@H](C)C2)C1 84359884 573857448 /nfs/dbraw/zinc/85/74/48/573857448.db2.gz MPIQIRDDMZMCGS-WDEREUQCSA-N 0 3 197.322 2.022 10 0 AEAEHN CCN[C@H](C)c1c[nH]c(C2(C)CC2)n1 393669468 573858555 /nfs/dbraw/zinc/85/85/55/573858555.db2.gz ILCHLAUPGGNINX-MRVPVSSYSA-N 0 3 193.294 2.132 10 0 AEAEHN CC(C)[C@@H]1NCCN1c1ccccc1 238168051 573858569 /nfs/dbraw/zinc/85/85/69/573858569.db2.gz RQKRLDLYJOPBSW-GFCCVEGCSA-N 0 3 190.290 2.078 10 0 AEAEHN CC[C@H](C)N1CCNc2cnccc21 87262103 573858026 /nfs/dbraw/zinc/85/80/26/573858026.db2.gz FKKBBWMPDDHYKJ-VIFPVBQESA-N 0 3 191.278 2.112 10 0 AEAEHN CCN1c2ccncc2NCC[C@@H]1C 87262199 573858151 /nfs/dbraw/zinc/85/81/51/573858151.db2.gz RTPABEVRIFOMFD-VIFPVBQESA-N 0 3 191.278 2.112 10 0 AEAEHN CC(C)C[C@H]1CNc2cnccc2N1 87260916 573858169 /nfs/dbraw/zinc/85/81/69/573858169.db2.gz AIDONBUJIKSFFO-VIFPVBQESA-N 0 3 191.278 2.334 10 0 AEAEHN CC(C)(C)[C@H](N)c1cc(O)ccc1N 238172813 573858210 /nfs/dbraw/zinc/85/82/10/573858210.db2.gz VCRUHPDYFVAWBT-SNVBAGLBSA-N 0 3 194.278 2.020 10 0 AEAEHN CCCC(=O)CN1CC2CCC1CC2 308456542 573858308 /nfs/dbraw/zinc/85/83/08/573858308.db2.gz BWHGYJRCZOMTFS-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN c1cc2c(cn1)NCC1(CCCC1)N2 87261669 573858350 /nfs/dbraw/zinc/85/83/50/573858350.db2.gz HGTCBVXJCGFLHU-UHFFFAOYSA-N 0 3 189.262 2.232 10 0 AEAEHN CCCN1CCC(OC(F)F)CC1 308456382 573858502 /nfs/dbraw/zinc/85/85/02/573858502.db2.gz GCZKNHAQIDLXBZ-UHFFFAOYSA-N 0 3 193.237 2.100 10 0 AEAEHN CC[C@]1(C)CNc2cnccc2N1 87261707 573858504 /nfs/dbraw/zinc/85/85/04/573858504.db2.gz MGIDSSWUKVKXBG-SNVBAGLBSA-N 0 3 177.251 2.088 10 0 AEAEHN CC(=O)C[C@H](N)c1ccc(Cl)cc1 259214878 573860965 /nfs/dbraw/zinc/86/09/65/573860965.db2.gz DZGUENIYWHHODB-JTQLQIEISA-N 0 3 197.665 2.319 10 0 AEAEHN CC[C@H](C)[C@H]1CNc2cnccc2N1 87261088 573861036 /nfs/dbraw/zinc/86/10/36/573861036.db2.gz JSWYPJAYNZIWFV-WCBMZHEXSA-N 0 3 191.278 2.334 10 0 AEAEHN C[C@]1(C2CC2)CNc2cnccc2N1 87261844 573861067 /nfs/dbraw/zinc/86/10/67/573861067.db2.gz XKVIGOFCVLFYTJ-LLVKDONJSA-N 0 3 189.262 2.088 10 0 AEAEHN CC[C@@]1(C)CNc2cnccc2N1 87261708 573861104 /nfs/dbraw/zinc/86/11/04/573861104.db2.gz MGIDSSWUKVKXBG-JTQLQIEISA-N 0 3 177.251 2.088 10 0 AEAEHN CC[C@@H](C)[C@H]1CNc2cnccc2N1 87261087 573861216 /nfs/dbraw/zinc/86/12/16/573861216.db2.gz JSWYPJAYNZIWFV-PSASIEDQSA-N 0 3 191.278 2.334 10 0 AEAEHN CN[C@H](C)[C@@H](F)Cc1ccccc1F 257890979 573861344 /nfs/dbraw/zinc/86/13/44/573861344.db2.gz UIFATIGQDJXBJC-KCJUWKMLSA-N 0 3 199.244 2.314 10 0 AEAEHN CC[C@H](C)[C@@H]1CNc2cnccc2N1 87261086 573861556 /nfs/dbraw/zinc/86/15/56/573861556.db2.gz JSWYPJAYNZIWFV-WPRPVWTQSA-N 0 3 191.278 2.334 10 0 AEAEHN c1nc([C@@H]2CCCN2)sc1C1CC1 258165487 573864207 /nfs/dbraw/zinc/86/42/07/573864207.db2.gz TZEOTKJORPZKBZ-QMMMGPOBSA-N 0 3 194.303 2.445 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1ccc(Cl)cn1 87286458 573864220 /nfs/dbraw/zinc/86/42/20/573864220.db2.gz ZPAZAZGNFWHJLF-XVKPBYJWSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1ccc(Cl)cn1 87286457 573864575 /nfs/dbraw/zinc/86/45/75/573864575.db2.gz ZPAZAZGNFWHJLF-XCBNKYQSSA-N 0 3 196.681 2.319 10 0 AEAEHN CC(C)NC(=N)c1ccc(Cl)cn1 87286498 573864918 /nfs/dbraw/zinc/86/49/18/573864918.db2.gz YINKWUULCFPKMF-UHFFFAOYSA-N 0 3 197.669 2.058 10 0 AEAEHN CN[C@@H](C)[C@@H](F)Cc1ccccc1F 257890980 573864797 /nfs/dbraw/zinc/86/47/97/573864797.db2.gz UIFATIGQDJXBJC-KWQFWETISA-N 0 3 199.244 2.314 10 0 AEAEHN CC(C)C[C@]1(C)N[C@H](C)CC(C)(C)N1 238165227 573872177 /nfs/dbraw/zinc/87/21/77/573872177.db2.gz JUUPOOUSUFLZCW-ZYHUDNBSSA-N 0 3 198.354 2.499 10 0 AEAEHN CC[C@]1(C)CO[C@H](c2ccoc2)CN1 87290827 573871096 /nfs/dbraw/zinc/87/10/96/573871096.db2.gz DMEILTDGZPHOJA-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN Cc1ccc([C@H]2CCNC[C@H]2F)cc1 238541321 573871114 /nfs/dbraw/zinc/87/11/14/573871114.db2.gz GGXCWEUBISZOFW-VXGBXAGGSA-N 0 3 193.265 2.410 10 0 AEAEHN CC(C)c1cccc2c1[C@@H](N)CC2=O 238165005 573871256 /nfs/dbraw/zinc/87/12/56/573871256.db2.gz XHMSGGKAEGGTOL-JTQLQIEISA-N 0 3 189.258 2.396 10 0 AEAEHN CCC[C@@H](C)Nc1nc(C)c[nH]1 233280883 573871394 /nfs/dbraw/zinc/87/13/94/573871394.db2.gz PIMLTQVJHXDZPS-SSDOTTSWSA-N 0 3 167.256 2.319 10 0 AEAEHN C[NH2+]CCc1c(C)ccc(Cl)c1[O-] 215001113 573871818 /nfs/dbraw/zinc/87/18/18/573871818.db2.gz PJGQKXQWFUODQL-UHFFFAOYSA-N 0 3 199.681 2.116 10 0 AEAEHN CC[C@@]1(C)CO[C@H](c2ccoc2)CN1 87290828 573872277 /nfs/dbraw/zinc/87/22/77/573872277.db2.gz DMEILTDGZPHOJA-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CC(C)(F)Oc1cccc2c1CNC2 258168870 573872359 /nfs/dbraw/zinc/87/23/59/573872359.db2.gz XHLJBAMQOCNDQC-UHFFFAOYSA-N 0 3 195.237 2.374 10 0 AEAEHN Cc1ccc(C2(N)CSC2)c(C)c1 84354989 573872407 /nfs/dbraw/zinc/87/24/07/573872407.db2.gz UDPDMFLFAPVQBA-UHFFFAOYSA-N 0 3 193.315 2.204 10 0 AEAEHN CC(C)NCC(C)(Cl)Cl 238164673 573872921 /nfs/dbraw/zinc/87/29/21/573872921.db2.gz WUEBTACWIDLISU-UHFFFAOYSA-N 0 3 170.083 2.178 10 0 AEAEHN C[C@H]1CCSC[C@H](c2ccoc2)N1 87307734 573874660 /nfs/dbraw/zinc/87/46/60/573874660.db2.gz WXPYBRPCYJWOIN-WCBMZHEXSA-N 0 3 197.303 2.436 10 0 AEAEHN Cc1cc([C@@H](C)C[NH3+])cc([O-])c1Cl 215003788 573873814 /nfs/dbraw/zinc/87/38/14/573873814.db2.gz MAUZZZFLCHITOJ-ZETCQYMHSA-N 0 3 199.681 2.416 10 0 AEAEHN CC(C)C[C@]1(C)N[C@@H](C)CC(C)(C)N1 238165137 573873838 /nfs/dbraw/zinc/87/38/38/573873838.db2.gz JUUPOOUSUFLZCW-CMPLNLGQSA-N 0 3 198.354 2.499 10 0 AEAEHN CC[C@]1(C)CNC[C@@H](c2ccoc2)O1 87290839 573873864 /nfs/dbraw/zinc/87/38/64/573873864.db2.gz OQXOPEFPWXYSPF-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN CNCc1c(Cl)ccc(C)c1OC 215001629 573873901 /nfs/dbraw/zinc/87/39/01/573873901.db2.gz QQGPBKHMUXRAMX-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN CC[C@@H](N)c1nc(-c2ccoc2)c[nH]1 87290927 573874025 /nfs/dbraw/zinc/87/40/25/573874025.db2.gz NEMDNJFNDMVGDR-MRVPVSSYSA-N 0 3 191.234 2.080 10 0 AEAEHN CNCc1nc(-c2ccoc2)cs1 87290599 573874037 /nfs/dbraw/zinc/87/40/37/573874037.db2.gz UJJDSCMFSWVYSS-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN CC[C@@]1(C)CO[C@@H](c2ccoc2)CN1 87290830 573874048 /nfs/dbraw/zinc/87/40/48/573874048.db2.gz DMEILTDGZPHOJA-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN CC(C)C[C@@H]1CC[C@@]2(C)NCCN2C1 238164671 573874157 /nfs/dbraw/zinc/87/41/57/573874157.db2.gz CGROSEWKMFJOPD-RYUDHWBXSA-N 0 3 196.338 2.064 10 0 AEAEHN CC(C)[C@H](N)c1cc(F)ncc1F 238172509 573874176 /nfs/dbraw/zinc/87/41/76/573874176.db2.gz YLZKVLUXGIYDTA-VIFPVBQESA-N 0 3 186.205 2.016 10 0 AEAEHN Cc1ccc(Cl)c([O-])c1[C@@H](C)C[NH3+] 215004391 573874312 /nfs/dbraw/zinc/87/43/12/573874312.db2.gz OVHIAGXWFVWAPI-ZETCQYMHSA-N 0 3 199.681 2.416 10 0 AEAEHN Cc1cc(Cl)c([O-])cc1[C@H](C)C[NH3+] 215003725 573874467 /nfs/dbraw/zinc/87/44/67/573874467.db2.gz QMHFEYYGSCXTRL-SSDOTTSWSA-N 0 3 199.681 2.416 10 0 AEAEHN CC(C)[C@@H](N)c1[nH]ccc1Cl 238165013 573874559 /nfs/dbraw/zinc/87/45/59/573874559.db2.gz HOMOAQOQVKWQLQ-SSDOTTSWSA-N 0 3 172.659 2.324 10 0 AEAEHN Cc1cc([C@@H](C)C[NH3+])cc(Cl)c1[O-] 215003336 573874595 /nfs/dbraw/zinc/87/45/95/573874595.db2.gz RAOWEQUZCXWSOO-ZETCQYMHSA-N 0 3 199.681 2.416 10 0 AEAEHN CC(C)C[C@@H]1CC[C@]2(C)NCCN2C1 238164725 573874609 /nfs/dbraw/zinc/87/46/09/573874609.db2.gz CGROSEWKMFJOPD-NWDGAFQWSA-N 0 3 196.338 2.064 10 0 AEAEHN CC(C)c1cccc2c1C(=O)C[C@@H]2N 238165341 573874624 /nfs/dbraw/zinc/87/46/24/573874624.db2.gz DDLYXNJDPWGBKR-JTQLQIEISA-N 0 3 189.258 2.396 10 0 AEAEHN c1cc([C@@H]2CSCCCN2)co1 87307725 573874881 /nfs/dbraw/zinc/87/48/81/573874881.db2.gz QZGLKDLASFXNNA-VIFPVBQESA-N 0 3 183.276 2.047 10 0 AEAEHN CNCc1c(Cl)cc(C)cc1OC 215001509 573875043 /nfs/dbraw/zinc/87/50/43/573875043.db2.gz UDWDDGBWYPRRMR-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN Cc1ccc(Cl)c([O-])c1[C@H](C)C[NH3+] 215004438 573875139 /nfs/dbraw/zinc/87/51/39/573875139.db2.gz OVHIAGXWFVWAPI-SSDOTTSWSA-N 0 3 199.681 2.416 10 0 AEAEHN C[C@H](N)c1ccnn1C1CCCC1 257895741 573875232 /nfs/dbraw/zinc/87/52/32/573875232.db2.gz OCHPGDRELMBZJY-QMMMGPOBSA-N 0 3 179.267 2.018 10 0 AEAEHN C/C(=C\Br)CNC(C)C 238164798 573875263 /nfs/dbraw/zinc/87/52/63/573875263.db2.gz JCHUHNZYUSUKOD-QPJJXVBHSA-N 0 3 192.100 2.283 10 0 AEAEHN CCC[C@H](C)[C@@H](N)c1c(C)cnn1C 308459790 573875301 /nfs/dbraw/zinc/87/53/01/573875301.db2.gz FYVKHAYBFBHWLS-WCBMZHEXSA-N 0 3 195.310 2.165 10 0 AEAEHN CC(C)Nc1cc(F)ccc1CN 238163585 573875356 /nfs/dbraw/zinc/87/53/56/573875356.db2.gz PVDMJBIOICHFMV-UHFFFAOYSA-N 0 3 182.242 2.105 10 0 AEAEHN Cc1cc(Cl)c([O-])cc1[C@@H](C)C[NH3+] 215003681 573875565 /nfs/dbraw/zinc/87/55/65/573875565.db2.gz QMHFEYYGSCXTRL-ZETCQYMHSA-N 0 3 199.681 2.416 10 0 AEAEHN CC(C)(C)[C@H](N)c1cc(F)ccc1N 238172528 573875593 /nfs/dbraw/zinc/87/55/93/573875593.db2.gz PUBWIUGLQLQZNU-SNVBAGLBSA-N 0 3 196.269 2.454 10 0 AEAEHN CCO[C@@H](C)[C@H](NC)c1ccccc1 44045998 573878002 /nfs/dbraw/zinc/87/80/02/573878002.db2.gz SMAFBDBGCIAOBS-JQWIXIFHSA-N 0 3 193.290 2.372 10 0 AEAEHN C[C@@H]1CCSC[C@@H](c2ccoc2)N1 87307735 573877189 /nfs/dbraw/zinc/87/71/89/573877189.db2.gz WXPYBRPCYJWOIN-SCZZXKLOSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@@H]1CCSC[C@H](c2ccoc2)N1 87307733 573877263 /nfs/dbraw/zinc/87/72/63/573877263.db2.gz WXPYBRPCYJWOIN-PSASIEDQSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@H]1CN[C@H](c2ccoc2)CSC1 87307746 573877341 /nfs/dbraw/zinc/87/73/41/573877341.db2.gz AGGNGNNJFYTFCU-WPRPVWTQSA-N 0 3 197.303 2.293 10 0 AEAEHN C[C@@H]1CCN[C@@H](c2ccoc2)CS1 87307759 573877385 /nfs/dbraw/zinc/87/73/85/573877385.db2.gz LLAXHXFWFXYRPK-PSASIEDQSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@@H]1CCC[C@@H](NCc2cnco2)C1 84413759 573877481 /nfs/dbraw/zinc/87/74/81/573877481.db2.gz TZHVOAZNBZNROZ-NXEZZACHSA-N 0 3 194.278 2.343 10 0 AEAEHN CCc1ccc([C@H](COC)NC)cc1 44044284 573877500 /nfs/dbraw/zinc/87/75/00/573877500.db2.gz SVCVZRORRDVVER-LBPRGKRZSA-N 0 3 193.290 2.156 10 0 AEAEHN C[C@@H]1CN[C@@H](c2ccoc2)CSC1 87307747 573877572 /nfs/dbraw/zinc/87/75/72/573877572.db2.gz AGGNGNNJFYTFCU-PSASIEDQSA-N 0 3 197.303 2.293 10 0 AEAEHN Cc1cc([C@H](C)C[NH3+])cc([O-])c1Cl 215003835 573877679 /nfs/dbraw/zinc/87/76/79/573877679.db2.gz MAUZZZFLCHITOJ-SSDOTTSWSA-N 0 3 199.681 2.416 10 0 AEAEHN C[C@H]1CCSC[C@@H](c2ccoc2)N1 87307736 573877689 /nfs/dbraw/zinc/87/76/89/573877689.db2.gz WXPYBRPCYJWOIN-WPRPVWTQSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@H]1CCC[C@@H](NCc2cnco2)C1 84413761 573877994 /nfs/dbraw/zinc/87/79/94/573877994.db2.gz TZHVOAZNBZNROZ-VHSXEESVSA-N 0 3 194.278 2.343 10 0 AEAEHN CC1(NCc2cnco2)CCCCC1 84414797 573879250 /nfs/dbraw/zinc/87/92/50/573879250.db2.gz BTWUBXWKHPHBNE-UHFFFAOYSA-N 0 3 194.278 2.487 10 0 AEAEHN C[C@@H]1CC[C@@H](NCc2cnco2)[C@@H]1C 84415435 573879317 /nfs/dbraw/zinc/87/93/17/573879317.db2.gz XTXXNOIXOYOLKD-FXPVBKGRSA-N 0 3 194.278 2.199 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccnc(F)c1 238176189 573879338 /nfs/dbraw/zinc/87/93/38/573879338.db2.gz BVHLCTJJBXCRLD-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN C[C@H]1CCC[C@H](NCc2cnco2)C1 84413757 573879757 /nfs/dbraw/zinc/87/97/57/573879757.db2.gz TZHVOAZNBZNROZ-UWVGGRQHSA-N 0 3 194.278 2.343 10 0 AEAEHN Oc1ccc2c(c1)CC[C@H]2N1CCC1 257891891 573880400 /nfs/dbraw/zinc/88/04/00/573880400.db2.gz XHQOMIBIHKOIPS-GFCCVEGCSA-N 0 3 189.258 2.085 10 0 AEAEHN C[C@H]1CCCC[C@H]1NCc1cnco1 84413332 573880797 /nfs/dbraw/zinc/88/07/97/573880797.db2.gz YMHPLMDJIFHZRP-GXSJLCMTSA-N 0 3 194.278 2.343 10 0 AEAEHN CCO[C@H](C)[C@@H](NC)c1ccccc1 44046009 573881135 /nfs/dbraw/zinc/88/11/35/573881135.db2.gz SMAFBDBGCIAOBS-ZYHUDNBSSA-N 0 3 193.290 2.372 10 0 AEAEHN C[C@@H]1CCC[C@H](NCc2cnco2)C1 84413756 573881167 /nfs/dbraw/zinc/88/11/67/573881167.db2.gz TZHVOAZNBZNROZ-ZJUUUORDSA-N 0 3 194.278 2.343 10 0 AEAEHN Cc1cc(CCC[NH3+])cc([O-])c1Cl 215002923 573885282 /nfs/dbraw/zinc/88/52/82/573885282.db2.gz DQYCYSQVHNDMNU-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN Cc1cccc2c([C@H](C)N)onc12 257893645 573885351 /nfs/dbraw/zinc/88/53/51/573885351.db2.gz NVCAREDZLSGVBO-ZETCQYMHSA-N 0 3 176.219 2.156 10 0 AEAEHN N[C@@H](CC1CC1)C(=O)CCC1CCC1 716331906 573885812 /nfs/dbraw/zinc/88/58/12/573885812.db2.gz YNNPIXFDZFDKPX-NSHDSACASA-N 0 3 195.306 2.263 10 0 AEAEHN CCN[C@@H](CC)c1ncccc1F 131591448 573889447 /nfs/dbraw/zinc/88/94/47/573889447.db2.gz PSXYVBCJBMBYOH-VIFPVBQESA-N 0 3 182.242 2.281 10 0 AEAEHN C/C=C\CN(C)CCc1nccs1 393568643 573889723 /nfs/dbraw/zinc/88/97/23/573889723.db2.gz RHIZLCJWAKITMD-ARJAWSKDSA-N 0 3 196.319 2.194 10 0 AEAEHN CCc1nc([C@@H]2CCCN2)c(C)s1 258174246 573889992 /nfs/dbraw/zinc/88/99/92/573889992.db2.gz UOVMNSNHQVMNSC-QMMMGPOBSA-N 0 3 196.319 2.438 10 0 AEAEHN N[C@@H]1CC(=O)c2cccc(C(F)F)c21 238562875 573893552 /nfs/dbraw/zinc/89/35/52/573893552.db2.gz RAHPECKWEJNPMB-SSDOTTSWSA-N 0 3 197.184 2.210 10 0 AEAEHN C/C=C/CN(C)CCc1nccs1 393568645 573893781 /nfs/dbraw/zinc/89/37/81/573893781.db2.gz RHIZLCJWAKITMD-ONEGZZNKSA-N 0 3 196.319 2.194 10 0 AEAEHN CCCc1nc(C2(N)CC2)cs1 84447568 573894987 /nfs/dbraw/zinc/89/49/87/573894987.db2.gz NHIFZUWEWIGLCB-UHFFFAOYSA-N 0 3 182.292 2.043 10 0 AEAEHN Cc1cc(C=O)c(C2(N)CC2)cc1C 258173614 573894988 /nfs/dbraw/zinc/89/49/88/573894988.db2.gz VYVFSHIBJZZRNR-UHFFFAOYSA-N 0 3 189.258 2.064 10 0 AEAEHN CN[C@H](O)c1ccc(CC(C)C)cc1 259227799 573895310 /nfs/dbraw/zinc/89/53/10/573895310.db2.gz GHXHCZCQBTWJTC-GFCCVEGCSA-N 0 3 193.290 2.095 10 0 AEAEHN CC[C@H](N)c1cc2ccn(C)c2o1 76602789 573895592 /nfs/dbraw/zinc/89/55/92/573895592.db2.gz JXTPDEIVXGQSAB-QMMMGPOBSA-N 0 3 178.235 2.181 10 0 AEAEHN CCCc1nc(C(C)(C)N)cs1 84449154 573895678 /nfs/dbraw/zinc/89/56/78/573895678.db2.gz DHGAWCKRJFEJIM-UHFFFAOYSA-N 0 3 184.308 2.289 10 0 AEAEHN Cc1csc([C@@](C)(N)C2(C)CC2)n1 87365139 573896441 /nfs/dbraw/zinc/89/64/41/573896441.db2.gz UJHNBZCHVTXLFO-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN CN[C@@](C)(c1nccs1)C1(C)CC1 87365164 573896502 /nfs/dbraw/zinc/89/65/02/573896502.db2.gz KOBVFRHWLRLFQA-JTQLQIEISA-N 0 3 196.319 2.378 10 0 AEAEHN CN[C@](C)(c1nccs1)C1(C)CC1 87365163 573896625 /nfs/dbraw/zinc/89/66/25/573896625.db2.gz KOBVFRHWLRLFQA-SNVBAGLBSA-N 0 3 196.319 2.378 10 0 AEAEHN CCCN1Cc2ccc(NC)cc2C1 259224233 573898042 /nfs/dbraw/zinc/89/80/42/573898042.db2.gz GZBGOUSJNRYWPJ-UHFFFAOYSA-N 0 3 190.290 2.454 10 0 AEAEHN CC1(C)C=Cc2cnccc2N1 238174955 573898291 /nfs/dbraw/zinc/89/82/91/573898291.db2.gz QRPRWLFZGHTVNZ-UHFFFAOYSA-N 0 3 160.220 2.299 10 0 AEAEHN Fc1ccccc1[C@@H]1C[C@H]2C[C@H]2CN1 257902939 573900197 /nfs/dbraw/zinc/90/01/97/573900197.db2.gz ZBRURWLLDSCLSV-PTRXPTGYSA-N 0 3 191.249 2.496 10 0 AEAEHN CN[C@@H]1Cc2cccc(Cl)c21 258443453 573900456 /nfs/dbraw/zinc/90/04/56/573900456.db2.gz FGWBDABSBMVHCS-MRVPVSSYSA-N 0 3 167.639 2.157 10 0 AEAEHN C[C@@](F)(c1ccc(F)cc1)[C@H]1CCN1 257902871 573902512 /nfs/dbraw/zinc/90/25/12/573902512.db2.gz ZAQOHEMSOFLTEH-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN Cc1nc(CN[C@@H]2C[C@H]2C)sc1C 87375929 573902555 /nfs/dbraw/zinc/90/25/55/573902555.db2.gz PRUGMKOHZRVSSG-HZGVNTEJSA-N 0 3 196.319 2.258 10 0 AEAEHN C[C@@](F)(c1ccc(F)cc1)[C@@H]1CCN1 257902877 573902573 /nfs/dbraw/zinc/90/25/73/573902573.db2.gz ZAQOHEMSOFLTEH-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN Fc1ccccc1[C@@H]1C[C@@H]2C[C@@H]2CN1 257902941 573902457 /nfs/dbraw/zinc/90/24/57/573902457.db2.gz ZBRURWLLDSCLSV-SBMIAAHKSA-N 0 3 191.249 2.496 10 0 AEAEHN COc1ccc(S[C@H](C)N)c(C)c1 259225549 573902460 /nfs/dbraw/zinc/90/24/60/573902460.db2.gz MUKXISSPOGKDCN-MRVPVSSYSA-N 0 3 197.303 2.400 10 0 AEAEHN CC[C@H](C)NCC(=O)c1ccccc1 41611536 573904312 /nfs/dbraw/zinc/90/43/12/573904312.db2.gz MIHXWUBDXRRXKM-JTQLQIEISA-N 0 3 191.274 2.257 10 0 AEAEHN CCCNCC(=O)c1ccc(C)cc1 41611622 573904484 /nfs/dbraw/zinc/90/44/84/573904484.db2.gz SAGFLQNGBXJVOQ-UHFFFAOYSA-N 0 3 191.274 2.177 10 0 AEAEHN CC[C@@H](C)NCC(=O)c1ccccc1 41611534 573904815 /nfs/dbraw/zinc/90/48/15/573904815.db2.gz MIHXWUBDXRRXKM-SNVBAGLBSA-N 0 3 191.274 2.257 10 0 AEAEHN Cc1nc(CN[C@H]2C[C@@H]2C)sc1C 87375927 573906101 /nfs/dbraw/zinc/90/61/01/573906101.db2.gz PRUGMKOHZRVSSG-RCOVLWMOSA-N 0 3 196.319 2.258 10 0 AEAEHN Cc1cccc2c1[C@@](F)(CN)CCC2 257904212 573906119 /nfs/dbraw/zinc/90/61/19/573906119.db2.gz ZFZXUUFGSZNBJA-LBPRGKRZSA-N 0 3 193.265 2.455 10 0 AEAEHN CNC(C)(C)[C@H](F)c1cccnc1C 715197715 573906614 /nfs/dbraw/zinc/90/66/14/573906614.db2.gz IKAXJSMFOOKBMI-SNVBAGLBSA-N 0 3 196.269 2.399 10 0 AEAEHN CN[C@@H](C)c1ccnn1C1CCCC1 257896049 573906818 /nfs/dbraw/zinc/90/68/18/573906818.db2.gz XXZNPNMPERZXHM-VIFPVBQESA-N 0 3 193.294 2.279 10 0 AEAEHN Cc1cnccc1-c1ccoc1CN 235792066 573908486 /nfs/dbraw/zinc/90/84/86/573908486.db2.gz OLZJQBMXWFFAQH-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN Cc1nc([C@@H](N)CC(C)C)co1 238194009 573908685 /nfs/dbraw/zinc/90/86/85/573908685.db2.gz QSBJQNZHIYHYML-QMMMGPOBSA-N 0 3 168.240 2.029 10 0 AEAEHN C[C@@H]1CSC(N[C@@H]2CCC[C@H]2C)=N1 84668088 573909914 /nfs/dbraw/zinc/90/99/14/573909914.db2.gz GZDHNALTBYHHHX-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CCC[C@H]1NC1=N[C@H](C)CS1 84668090 573910137 /nfs/dbraw/zinc/91/01/37/573910137.db2.gz GZDHNALTBYHHHX-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@]1(c2ccccc2)C[C@@H](F)CN1 259001266 573910230 /nfs/dbraw/zinc/91/02/30/573910230.db2.gz WWTSRYZAKOZAGL-GHMZBOCLSA-N 0 3 179.238 2.233 10 0 AEAEHN CCN(CC)c1ccc(CN)s1 76629619 573910242 /nfs/dbraw/zinc/91/02/42/573910242.db2.gz FVDKIVMVUCEPET-UHFFFAOYSA-N 0 3 184.308 2.053 10 0 AEAEHN CC[C@H](C)c1ncc([C@H](C)N)c(C)n1 84717685 573910626 /nfs/dbraw/zinc/91/06/26/573910626.db2.gz YXHMAXBCEWJYSZ-YUMQZZPRSA-N 0 3 193.294 2.318 10 0 AEAEHN C[C@@H]1CN[C@@H](C2(C)CCC2)SC1 686131803 573911126 /nfs/dbraw/zinc/91/11/26/573911126.db2.gz KBPLTJFNZHCVDD-RKDXNWHRSA-N 0 3 185.336 2.475 10 0 AEAEHN COC1(N[C@@H](C)c2ccccc2)CC1 238383692 573911234 /nfs/dbraw/zinc/91/12/34/573911234.db2.gz CZYZMLQUSZKAFL-JTQLQIEISA-N 0 3 191.274 2.474 10 0 AEAEHN Oc1ccccc1S[C@H]1CCCN1 257898207 573913287 /nfs/dbraw/zinc/91/32/87/573913287.db2.gz YIWSDLBRSMBUQX-JTQLQIEISA-N 0 3 195.287 2.194 10 0 AEAEHN C[C@@H]([NH3+])c1coc2cccc([O-])c12 257897869 573913453 /nfs/dbraw/zinc/91/34/53/573913453.db2.gz LYAMMPIKOZJDDQ-ZCFIWIBFSA-N 0 3 177.203 2.158 10 0 AEAEHN CC(C)[C@H](N)c1cocc1F 238184647 573917171 /nfs/dbraw/zinc/91/71/71/573917171.db2.gz WKUWFIBNXCCLIU-QMMMGPOBSA-N 0 3 157.188 2.075 10 0 AEAEHN CC[C@H](C)c1ncc([C@H](C)N)s1 642823946 573918530 /nfs/dbraw/zinc/91/85/30/573918530.db2.gz YBZGDZQEXSXCNS-BQBZGAKWSA-N 0 3 183.300 2.170 10 0 AEAEHN CCN[C@H](CC)c1cnccc1OC 308463041 573918675 /nfs/dbraw/zinc/91/86/75/573918675.db2.gz GIJFKWHJZSCWOB-SNVBAGLBSA-N 0 3 194.278 2.151 10 0 AEAEHN NC[C@@]1(F)CCc2cccc(Cl)c21 257898337 573918728 /nfs/dbraw/zinc/91/87/28/573918728.db2.gz VLDLRKSJGZHWBN-JTQLQIEISA-N 0 3 199.656 2.410 10 0 AEAEHN CC(C)Cc1ccc2c(c1)OC[C@H]2N 238186330 573920681 /nfs/dbraw/zinc/92/06/81/573920681.db2.gz CIGIDPQEKXPHDG-LLVKDONJSA-N 0 3 191.274 2.277 10 0 AEAEHN CC[C@H](C)C[C@@H](N)c1ccnn1CC 127583785 573920812 /nfs/dbraw/zinc/92/08/12/573920812.db2.gz JMBAVWHXPOSQGI-VHSXEESVSA-N 0 3 195.310 2.339 10 0 AEAEHN CC(=O)[C@@H](CC(C)C)N1CCCCC1 259238876 573920893 /nfs/dbraw/zinc/92/08/93/573920893.db2.gz KCNGZHKHDYIWFI-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN COc1cccc([C@@H](F)[C@H]2CCN2)c1 257900575 573922581 /nfs/dbraw/zinc/92/25/81/573922581.db2.gz YSTLAVWBTWVNSN-GHMZBOCLSA-N 0 3 195.237 2.068 10 0 AEAEHN COc1cccc([C@H](F)[C@H]2CCN2)c1 257900577 573923844 /nfs/dbraw/zinc/92/38/44/573923844.db2.gz YSTLAVWBTWVNSN-MNOVXSKESA-N 0 3 195.237 2.068 10 0 AEAEHN CCCOC[C@H](N)c1cccs1 44653542 573923866 /nfs/dbraw/zinc/92/38/66/573923866.db2.gz HSWOTXVPEPVGEU-QMMMGPOBSA-N 0 3 185.292 2.175 10 0 AEAEHN Cc1cc(CC[NH3+])c(C)c([O-])c1Cl 215008008 573926467 /nfs/dbraw/zinc/92/64/67/573926467.db2.gz ZZULZYYKACFWAO-UHFFFAOYSA-N 0 3 199.681 2.164 10 0 AEAEHN CCn1nccc1[C@@H](N)[C@@H](C)C(C)C 127598830 573929960 /nfs/dbraw/zinc/92/99/60/573929960.db2.gz RFNDQTHREJMVKD-ONGXEEELSA-N 0 3 195.310 2.195 10 0 AEAEHN CCn1nccc1[C@H](N)[C@H](C)C(C)C 127599024 573930000 /nfs/dbraw/zinc/93/00/00/573930000.db2.gz RFNDQTHREJMVKD-MWLCHTKSSA-N 0 3 195.310 2.195 10 0 AEAEHN CCC[C@@H](C)[C@@H](N)c1ccnn1CC 127576042 573930313 /nfs/dbraw/zinc/93/03/13/573930313.db2.gz DHIBFXXFSWDJBZ-MWLCHTKSSA-N 0 3 195.310 2.339 10 0 AEAEHN CCOC[C@@H](N)c1sccc1CC 131749227 573930323 /nfs/dbraw/zinc/93/03/23/573930323.db2.gz PDIDXWDPOQHHGQ-SECBINFHSA-N 0 3 199.319 2.347 10 0 AEAEHN CN[C@@H](C)c1cc(C2CCCC2)n[nH]1 257909402 573931883 /nfs/dbraw/zinc/93/18/83/573931883.db2.gz ZYFODVHSDVWRHC-QMMMGPOBSA-N 0 3 193.294 2.348 10 0 AEAEHN CC[C@H](C)NCc1cnoc1C1CC1 585364215 573932623 /nfs/dbraw/zinc/93/26/23/573932623.db2.gz GWRAATYNXGSXLR-QMMMGPOBSA-N 0 3 194.278 2.440 10 0 AEAEHN CCOC[C@H](N)c1sccc1CC 131749431 573932096 /nfs/dbraw/zinc/93/20/96/573932096.db2.gz PDIDXWDPOQHHGQ-VIFPVBQESA-N 0 3 199.319 2.347 10 0 AEAEHN CCCN(CC1CC1)[C@H](C)C(C)=O 42221324 573932120 /nfs/dbraw/zinc/93/21/20/573932120.db2.gz BCTKNLAHVOTWKA-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN COCNCCc1ccc(C)cc1C 259015014 573932334 /nfs/dbraw/zinc/93/23/34/573932334.db2.gz GQHQFUXBMRLWLC-UHFFFAOYSA-N 0 3 193.290 2.039 10 0 AEAEHN C[C@@H]1CCO[C@@H]1[C@H](N)c1cccs1 123122873 573932383 /nfs/dbraw/zinc/93/23/83/573932383.db2.gz UYVMGUPTSPEKEH-QNSHHTMESA-N 0 3 197.303 2.173 10 0 AEAEHN CCC[C@@H](CC)Nc1ncc[nH]1 233285153 573932492 /nfs/dbraw/zinc/93/24/92/573932492.db2.gz GRJKQVJWOAJNDK-MRVPVSSYSA-N 0 3 167.256 2.400 10 0 AEAEHN CNC[C@@H](F)CC1CCSCC1 257905244 573933825 /nfs/dbraw/zinc/93/38/25/573933825.db2.gz ZHXKLFSSJXCLSW-VIFPVBQESA-N 0 3 191.315 2.077 10 0 AEAEHN NCc1cc(C2CCCCCC2)n[nH]1 257909448 573933639 /nfs/dbraw/zinc/93/36/39/573933639.db2.gz ZYYPCWXVEHXULY-UHFFFAOYSA-N 0 3 193.294 2.306 10 0 AEAEHN C[C@@H]1CCO[C@H]1[C@H](N)c1cccs1 123123356 573933661 /nfs/dbraw/zinc/93/36/61/573933661.db2.gz UYVMGUPTSPEKEH-SZEHBUNVSA-N 0 3 197.303 2.173 10 0 AEAEHN CCOC[C@@H](N)c1c(C)oc(C)c1C 131764975 573936621 /nfs/dbraw/zinc/93/66/21/573936621.db2.gz ZAGLUQPYTNGISV-SNVBAGLBSA-N 0 3 197.278 2.241 10 0 AEAEHN CCC1([C@H]2CNCC(C)(C)O2)CCC1 686132498 573936941 /nfs/dbraw/zinc/93/69/41/573936941.db2.gz ILNHCZVFSGYNFM-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CCOC[C@@H](NC)c1cc(C)oc1C 131761745 573938688 /nfs/dbraw/zinc/93/86/88/573938688.db2.gz MOLRPCUEJADNJY-LLVKDONJSA-N 0 3 197.278 2.193 10 0 AEAEHN Cc1oncc1CNCCC(C)C 585365207 573938699 /nfs/dbraw/zinc/93/86/99/573938699.db2.gz RKXYFGMDRJDBFB-UHFFFAOYSA-N 0 3 182.267 2.119 10 0 AEAEHN CC(C)c1oncc1CNCC1CC1 585364816 573938741 /nfs/dbraw/zinc/93/87/41/573938741.db2.gz WCYAECLEGFOYQF-UHFFFAOYSA-N 0 3 194.278 2.298 10 0 AEAEHN CN[C@@H](OC)c1ccc(C)c(C)c1C 259245079 573938860 /nfs/dbraw/zinc/93/88/60/573938860.db2.gz NLACEHPPRCCBNU-LBPRGKRZSA-N 0 3 193.290 2.476 10 0 AEAEHN c1noc(C2CC2)c1CNCC1CC1 585365300 573939873 /nfs/dbraw/zinc/93/98/73/573939873.db2.gz JWHABHNBZQCEPS-UHFFFAOYSA-N 0 3 192.262 2.052 10 0 AEAEHN CN[C@H](OC)c1ccc(C)c(C)c1C 259245077 573940244 /nfs/dbraw/zinc/94/02/44/573940244.db2.gz NLACEHPPRCCBNU-GFCCVEGCSA-N 0 3 193.290 2.476 10 0 AEAEHN CCn1nc([C@H](C)NC)cc1C1CC1 257907586 573942171 /nfs/dbraw/zinc/94/21/71/573942171.db2.gz ZPXNTCAULIXXRX-QMMMGPOBSA-N 0 3 193.294 2.061 10 0 AEAEHN CCC[C@H](OCC)[C@H](N)c1ccc[nH]1 308470168 573942280 /nfs/dbraw/zinc/94/22/80/573942280.db2.gz JAGAQQLUSXAHKH-WDEREUQCSA-N 0 3 196.294 2.220 10 0 AEAEHN C[C@@H](N)[C@H](F)Cc1ccccc1F 257907659 573942319 /nfs/dbraw/zinc/94/23/19/573942319.db2.gz PXEROZYNZWYGCZ-GMSGAONNSA-N 0 3 185.217 2.054 10 0 AEAEHN CCC[C@@H](OCC)[C@H](N)c1ccc[nH]1 308470165 573942645 /nfs/dbraw/zinc/94/26/45/573942645.db2.gz JAGAQQLUSXAHKH-GHMZBOCLSA-N 0 3 196.294 2.220 10 0 AEAEHN CCC[C@@H](OCC)[C@@H](N)c1ccc[nH]1 308470166 573943596 /nfs/dbraw/zinc/94/35/96/573943596.db2.gz JAGAQQLUSXAHKH-MNOVXSKESA-N 0 3 196.294 2.220 10 0 AEAEHN CCn1nc([C@@H](C)NC)cc1C1CC1 257907584 573942996 /nfs/dbraw/zinc/94/29/96/573942996.db2.gz ZPXNTCAULIXXRX-MRVPVSSYSA-N 0 3 193.294 2.061 10 0 AEAEHN Cc1c(CNC(C)C)cnn1C(C)C 42355946 573943329 /nfs/dbraw/zinc/94/33/29/573943329.db2.gz CENBWBVMGLRBCL-UHFFFAOYSA-N 0 3 195.310 2.270 10 0 AEAEHN COCNCc1ccc(SC)cc1 259024549 573943493 /nfs/dbraw/zinc/94/34/93/573943493.db2.gz HKFRPWWFXJLJBU-UHFFFAOYSA-N 0 3 197.303 2.102 10 0 AEAEHN CN[C@@H](c1cncc(F)c1)C1(C)CC1 87551404 573944469 /nfs/dbraw/zinc/94/44/69/573944469.db2.gz GREAXCHIXOJVPJ-JTQLQIEISA-N 0 3 194.253 2.281 10 0 AEAEHN CCC[C@H](OCC)[C@@H](N)c1ccc[nH]1 308470167 573944523 /nfs/dbraw/zinc/94/45/23/573944523.db2.gz JAGAQQLUSXAHKH-QWRGUYRKSA-N 0 3 196.294 2.220 10 0 AEAEHN CC1([C@H](N)c2cncc(F)c2)CC1 87550503 573944725 /nfs/dbraw/zinc/94/47/25/573944725.db2.gz YXQLVUOVQHHHGI-SECBINFHSA-N 0 3 180.226 2.021 10 0 AEAEHN C[C@H](N)[C@H](F)Cc1ccccc1F 257907661 573944851 /nfs/dbraw/zinc/94/48/51/573944851.db2.gz PXEROZYNZWYGCZ-OIBJUYFYSA-N 0 3 185.217 2.054 10 0 AEAEHN C[C@@H](N)[C@@H](F)Cc1ccccc1F 257907664 573944892 /nfs/dbraw/zinc/94/48/92/573944892.db2.gz PXEROZYNZWYGCZ-XCBNKYQSSA-N 0 3 185.217 2.054 10 0 AEAEHN CC(C)c1oncc1CN1CCCC1 585365053 573946053 /nfs/dbraw/zinc/94/60/53/573946053.db2.gz ZGDIQLPNSRFLIO-UHFFFAOYSA-N 0 3 194.278 2.394 10 0 AEAEHN Cc1oncc1CNC1CCCCC1 585365103 573945430 /nfs/dbraw/zinc/94/54/30/573945430.db2.gz DMGGZIBOIMPSMR-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN CC1([C@@H](N)c2ccoc2)CC1 87550924 573945493 /nfs/dbraw/zinc/94/54/93/573945493.db2.gz RLZIYFKEQTXQKJ-QMMMGPOBSA-N 0 3 151.209 2.080 10 0 AEAEHN CCNCc1ccc(N)cc1Cl 258186341 573945847 /nfs/dbraw/zinc/94/58/47/573945847.db2.gz TVRTXKXJRNETHE-UHFFFAOYSA-N 0 3 184.670 2.032 10 0 AEAEHN CCCC1([C@@H](N)c2ccnn2C)CC1 308469573 573945875 /nfs/dbraw/zinc/94/58/75/573945875.db2.gz BGIWRKAZHGXJCQ-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cncs1 87574120 573947414 /nfs/dbraw/zinc/94/74/14/573947414.db2.gz UDVVMLWUYWJSGL-HTRCEHHLSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@@](F)(CN)CSc1ccccc1 257913643 573947433 /nfs/dbraw/zinc/94/74/33/573947433.db2.gz XGRBSEVESDKKHA-SNVBAGLBSA-N 0 3 199.294 2.466 10 0 AEAEHN CN[C@@H](c1ccoc1)C1(C)CC1 87551859 573947138 /nfs/dbraw/zinc/94/71/38/573947138.db2.gz UAZPPXAZBCOLOK-VIFPVBQESA-N 0 3 165.236 2.340 10 0 AEAEHN CC(C)[C@H]1CNCc2cccc(O)c21 258186451 573947170 /nfs/dbraw/zinc/94/71/70/573947170.db2.gz MXABRZQJMBQJNS-SNVBAGLBSA-N 0 3 191.274 2.235 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1cncs1 87575206 573951724 /nfs/dbraw/zinc/95/17/24/573951724.db2.gz WTCJQSOJBIUGDS-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H](N)c1csc(CC2CC2)n1 87583273 573951739 /nfs/dbraw/zinc/95/17/39/573951739.db2.gz AJJVOYDPWSSDEZ-LURJTMIESA-N 0 3 182.292 2.115 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cncs1 87574119 573951029 /nfs/dbraw/zinc/95/10/29/573951029.db2.gz UDVVMLWUYWJSGL-XPUUQOCRSA-N 0 3 170.281 2.189 10 0 AEAEHN CCCCC[C@H](N)c1ccnn1C 127690459 573951156 /nfs/dbraw/zinc/95/11/56/573951156.db2.gz WPYWJDYRLVZSKT-VIFPVBQESA-N 0 3 181.283 2.000 10 0 AEAEHN C[NH2+]Cc1csc2c([O-])cccc12 258187622 573951238 /nfs/dbraw/zinc/95/12/38/573951238.db2.gz ZHTLUEKKXIFBGT-UHFFFAOYSA-N 0 3 193.271 2.326 10 0 AEAEHN CCCCC[C@H](NC)c1ccnn1C 127689975 573951388 /nfs/dbraw/zinc/95/13/88/573951388.db2.gz VIOJCVVLLXJCBV-JTQLQIEISA-N 0 3 195.310 2.261 10 0 AEAEHN [NH3+]CCCCc1cccc(Cl)c1[O-] 258188278 573951427 /nfs/dbraw/zinc/95/14/27/573951427.db2.gz RINIVCKFAXLCKP-UHFFFAOYSA-N 0 3 199.681 2.327 10 0 AEAEHN CN[C@H](C=C(C)C)c1cncs1 87574244 573953264 /nfs/dbraw/zinc/95/32/64/573953264.db2.gz NIRDQDQJHJJCMS-MRVPVSSYSA-N 0 3 182.292 2.370 10 0 AEAEHN CCC[C@@H](NC)c1cncs1 87574366 573953295 /nfs/dbraw/zinc/95/32/95/573953295.db2.gz INGMXZYGEOOEOI-SSDOTTSWSA-N 0 3 170.281 2.204 10 0 AEAEHN CCCCC[C@@H](NC)c1ccnn1C 127690224 573953781 /nfs/dbraw/zinc/95/37/81/573953781.db2.gz VIOJCVVLLXJCBV-SNVBAGLBSA-N 0 3 195.310 2.261 10 0 AEAEHN NCc1nccc2c1oc1ccccc12 74238308 573953864 /nfs/dbraw/zinc/95/38/64/573953864.db2.gz QEIZHHPCNLFNOF-UHFFFAOYSA-N 0 3 198.225 2.440 10 0 AEAEHN CC(C)(C)c1cc(CN)cc(Cl)n1 257912219 573955356 /nfs/dbraw/zinc/95/53/56/573955356.db2.gz XBGUNRHWOZYSCH-UHFFFAOYSA-N 0 3 198.697 2.491 10 0 AEAEHN CN[C@@H](C=C(C)C)c1cncs1 87574243 573955148 /nfs/dbraw/zinc/95/51/48/573955148.db2.gz NIRDQDQJHJJCMS-QMMMGPOBSA-N 0 3 182.292 2.370 10 0 AEAEHN CN[C@@H](c1cncs1)C(C)(C)C 87574326 573955222 /nfs/dbraw/zinc/95/52/22/573955222.db2.gz DGDAYYPOVFEXTO-QMMMGPOBSA-N 0 3 184.308 2.450 10 0 AEAEHN C[C@H]1CN[C@H](C2CCC2)SC1 87586042 573957182 /nfs/dbraw/zinc/95/71/82/573957182.db2.gz CLPOMHPLPDVQPG-CBAPKCEASA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1CCS[C@H](C2CCC2)N1 87586037 573957380 /nfs/dbraw/zinc/95/73/80/573957380.db2.gz NJIDOQRMOALKEK-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN C1CC([C@@H]2CNCC3(CCCC3)O2)C1 87586378 573957445 /nfs/dbraw/zinc/95/74/45/573957445.db2.gz RNMLXXQECBDQSD-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN C[C@H]1CCN[C@H](C2CCC2)S1 87586046 573957557 /nfs/dbraw/zinc/95/75/57/573957557.db2.gz LABXXOZFDSCLPS-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN Cc1csc([C@@H](N)C2CCC2)n1 87585609 573957946 /nfs/dbraw/zinc/95/79/46/573957946.db2.gz PIEXVQIDLHIBAF-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1csc([C@H](N)C2CCC2)n1 87585608 573959533 /nfs/dbraw/zinc/95/95/33/573959533.db2.gz PIEXVQIDLHIBAF-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN C[C@@H]1CCS[C@@H](C2CCC2)N1 87586039 573958653 /nfs/dbraw/zinc/95/86/53/573958653.db2.gz NJIDOQRMOALKEK-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN CCCCN(C1CC1)[C@H](C)C(C)=O 42490802 573958746 /nfs/dbraw/zinc/95/87/46/573958746.db2.gz DLWKPYOXZHDHHX-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN C[C@@H]1CN[C@@H](C2CCC2)SC1 87586043 573958955 /nfs/dbraw/zinc/95/89/55/573958955.db2.gz CLPOMHPLPDVQPG-VXNVDRBHSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1CCN[C@H](C2CCC2)S1 87586045 573959081 /nfs/dbraw/zinc/95/90/81/573959081.db2.gz LABXXOZFDSCLPS-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN C1CC([C@H]2CNCC3(CCCC3)O2)C1 87586377 573959161 /nfs/dbraw/zinc/95/91/61/573959161.db2.gz RNMLXXQECBDQSD-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN Cc1ccccc1[C@H](N)[C@@H](O)C(C)C 238216446 573962317 /nfs/dbraw/zinc/96/23/17/573962317.db2.gz UTTJJMIPKXEXEM-RYUDHWBXSA-N 0 3 193.290 2.012 10 0 AEAEHN Cc1ccc2c(C)c(CN)cnc2c1 257912839 573963138 /nfs/dbraw/zinc/96/31/38/573963138.db2.gz QMQWVKYSFSXCJA-UHFFFAOYSA-N 0 3 186.258 2.310 10 0 AEAEHN CC(C)C[C@@H](C)[C@H](N)c1nccn1C 308471888 573963146 /nfs/dbraw/zinc/96/31/46/573963146.db2.gz JOUONMFGAHLUOL-ZJUUUORDSA-N 0 3 195.310 2.102 10 0 AEAEHN CC(C)(C)[C@H](N)c1cscn1 87589594 573968186 /nfs/dbraw/zinc/96/81/86/573968186.db2.gz OWZGHMPYRSSLBR-SSDOTTSWSA-N 0 3 170.281 2.189 10 0 AEAEHN Cc1cc([C@@H](N)c2ccoc2)ccn1 235859265 573967547 /nfs/dbraw/zinc/96/75/47/573967547.db2.gz YEELDUSRRFHFHX-LLVKDONJSA-N 0 3 188.230 2.031 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1cscn1 87596131 573967687 /nfs/dbraw/zinc/96/76/87/573967687.db2.gz VHHNDYICPJDSIS-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN CCN[C@@H](CC)c1cscn1 87595428 573967830 /nfs/dbraw/zinc/96/78/30/573967830.db2.gz CMBARPWVMVCBDU-ZETCQYMHSA-N 0 3 170.281 2.204 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cscn1 87594394 573967925 /nfs/dbraw/zinc/96/79/25/573967925.db2.gz VBIZFDBPYNNLMF-POYBYMJQSA-N 0 3 170.281 2.189 10 0 AEAEHN CN[C@H](c1cscn1)C(C)(C)C 87594732 573968120 /nfs/dbraw/zinc/96/81/20/573968120.db2.gz GFEITLSMGNTQAX-MRVPVSSYSA-N 0 3 184.308 2.450 10 0 AEAEHN CNCc1nc2c(F)cccc2s1 82320640 573969435 /nfs/dbraw/zinc/96/94/35/573969435.db2.gz BSKZRIMFRLDLFJ-UHFFFAOYSA-N 0 3 196.250 2.155 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cscn1 87589595 573969653 /nfs/dbraw/zinc/96/96/53/573969653.db2.gz OWZGHMPYRSSLBR-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cscn1 87594392 573969726 /nfs/dbraw/zinc/96/97/26/573969726.db2.gz VBIZFDBPYNNLMF-HTRCEHHLSA-N 0 3 170.281 2.189 10 0 AEAEHN C=C([NH2+]CCC)c1ccccc1[O-] 238228794 573969960 /nfs/dbraw/zinc/96/99/60/573969960.db2.gz YBKHDCDXQKLIRF-UHFFFAOYSA-N 0 3 177.247 2.363 10 0 AEAEHN Clc1cccc2c1CNCC21CC1 104395589 573974716 /nfs/dbraw/zinc/97/47/16/573974716.db2.gz SNVIIJKIISNQQA-UHFFFAOYSA-N 0 3 193.677 2.475 10 0 AEAEHN CN[C@H](CCSC)c1ccccn1 259254169 573975389 /nfs/dbraw/zinc/97/53/89/573975389.db2.gz UBOWDGCDDHPNDB-SECBINFHSA-N 0 3 196.319 2.095 10 0 AEAEHN CC(C)C[C@H](C)N(C)[C@@H]1CCCC1=O 42586647 573978734 /nfs/dbraw/zinc/97/87/34/573978734.db2.gz JIARRXKJKRLYCM-WDEREUQCSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@H]1CN[C@@](C)(C2(C)CC2)S1 87602792 573977843 /nfs/dbraw/zinc/97/78/43/573977843.db2.gz ZIGLTBRECJRGGR-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN CCCCC(=N)Nc1cc(C)[nH]n1 238222005 573977851 /nfs/dbraw/zinc/97/78/51/573977851.db2.gz GLTGJUCNJZUUEP-UHFFFAOYSA-N 0 3 180.255 2.297 10 0 AEAEHN CCCN1CCC(=O)[C@@H]2CCCC[C@@H]21 238221957 573977978 /nfs/dbraw/zinc/97/79/78/573977978.db2.gz MPXYRTLWGMMJLO-MNOVXSKESA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@H]1CC[C@]2(C1)NCCS2 87602432 573977983 /nfs/dbraw/zinc/97/79/83/573977983.db2.gz TWJNMSCQKMAJGK-BDAKNGLRSA-N 0 3 171.309 2.229 10 0 AEAEHN CC(C)C[C@@H](C)N(C)[C@@H]1CCCC1=O 42586644 573978210 /nfs/dbraw/zinc/97/82/10/573978210.db2.gz JIARRXKJKRLYCM-GHMZBOCLSA-N 0 3 197.322 2.474 10 0 AEAEHN CCCN1CCC(=O)[C@H]2CCCC[C@@H]21 238221969 573978233 /nfs/dbraw/zinc/97/82/33/573978233.db2.gz MPXYRTLWGMMJLO-QWRGUYRKSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@H](N[C@H](C)c1cc[nH]n1)C(C)C 42586415 573978394 /nfs/dbraw/zinc/97/83/94/573978394.db2.gz AHMXFNLSQUDNKV-NXEZZACHSA-N 0 3 195.310 2.495 10 0 AEAEHN CC[C@H](N[C@@H](C)c1cc[nH]n1)C(C)C 42586406 573978513 /nfs/dbraw/zinc/97/85/13/573978513.db2.gz AHMXFNLSQUDNKV-UWVGGRQHSA-N 0 3 195.310 2.495 10 0 AEAEHN C[C@H]1CS[C@](C)(C2(C)CC2)N1 87603309 573979995 /nfs/dbraw/zinc/97/99/95/573979995.db2.gz AZRLXHVRTTZUPB-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@@]1(C)N[C@H](C)CCS1 87604096 573983854 /nfs/dbraw/zinc/98/38/54/573983854.db2.gz JYQRQSYXCRAGOP-SFYZADRCSA-N 0 3 159.298 2.228 10 0 AEAEHN CC[C@@]1(C(C)C)NCCCS1 87603758 573983950 /nfs/dbraw/zinc/98/39/50/573983950.db2.gz BVRKEFQDDOOBSX-SECBINFHSA-N 0 3 173.325 2.475 10 0 AEAEHN CC[C@H](C)[C@@]1(C)NCCCS1 87603847 573983348 /nfs/dbraw/zinc/98/33/48/573983348.db2.gz ZWLKCHIHZCOQAP-IUCAKERBSA-N 0 3 173.325 2.475 10 0 AEAEHN CC1([C@]2(C)NCCCS2)CC1 87603722 573983362 /nfs/dbraw/zinc/98/33/62/573983362.db2.gz ZHKLHLDGIDYBDP-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@@H]1CCSC2(CCCC2)N1 87603915 573983369 /nfs/dbraw/zinc/98/33/69/573983369.db2.gz NSEBWBANTRRYLV-MRVPVSSYSA-N 0 3 171.309 2.372 10 0 AEAEHN CC[C@@]1(C)NCC[C@H](C)S1 87605052 573983564 /nfs/dbraw/zinc/98/35/64/573983564.db2.gz YXALMOHNETUBDJ-YUMQZZPRSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@@H]1CN[C@](C)(C2CC2)SC1 87604775 573983842 /nfs/dbraw/zinc/98/38/42/573983842.db2.gz LUVOXWGBDLQJHY-APPZFPTMSA-N 0 3 171.309 2.085 10 0 AEAEHN CCCC1([C@@H]2CNC[C@H](C)O2)CCC1 686133299 573986594 /nfs/dbraw/zinc/98/65/94/573986594.db2.gz UZEHLYGKTPQMNC-QWRGUYRKSA-N 0 3 197.322 2.334 10 0 AEAEHN C=Cc1ccc2c(c1)[C@H](N)CCO2 104458562 573987232 /nfs/dbraw/zinc/98/72/32/573987232.db2.gz MADWFYMWIWSISR-SNVBAGLBSA-N 0 3 175.231 2.112 10 0 AEAEHN CCCC1([C@@H]2CNC[C@@H](C)O2)CCC1 686133297 573987479 /nfs/dbraw/zinc/98/74/79/573987479.db2.gz UZEHLYGKTPQMNC-MNOVXSKESA-N 0 3 197.322 2.334 10 0 AEAEHN Fc1cc([C@@H]2CCCCN2)ccn1 104455319 573989220 /nfs/dbraw/zinc/98/92/20/573989220.db2.gz KMZIXUSSSWQMIH-VIFPVBQESA-N 0 3 180.226 2.035 10 0 AEAEHN CC1(C)CN[C@@](C)(c2nccs2)C1 238226553 573989365 /nfs/dbraw/zinc/98/93/65/573989365.db2.gz JNDHSEDKKGBBMC-SNVBAGLBSA-N 0 3 196.319 2.378 10 0 AEAEHN C[C@@H](c1ccc2c(c1)OCO2)N(C)C 259261691 573993181 /nfs/dbraw/zinc/99/31/81/573993181.db2.gz STQIOYAKWOLCPJ-QMMMGPOBSA-N 0 3 193.246 2.038 10 0 AEAEHN CCC[C@H]1NC[C@@H](C)C1(F)F 238233156 573992881 /nfs/dbraw/zinc/99/28/81/573992881.db2.gz FRMIFLXDRLIICS-RNFRBKRXSA-N 0 3 163.211 2.030 10 0 AEAEHN CCC[C@H]1N[C@H](C)CC(C)(C)N1C 238233860 573993419 /nfs/dbraw/zinc/99/34/19/573993419.db2.gz IQDALTRLOGNDNZ-ZJUUUORDSA-N 0 3 184.327 2.205 10 0 AEAEHN C[C@H](c1ccc2c(c1)OCO2)N(C)C 259261687 573993905 /nfs/dbraw/zinc/99/39/05/573993905.db2.gz STQIOYAKWOLCPJ-MRVPVSSYSA-N 0 3 193.246 2.038 10 0 AEAEHN CCCc1sc([C@@H](C)N)nc1C 238235316 573994586 /nfs/dbraw/zinc/99/45/86/573994586.db2.gz DRUYNTJJRGCWTQ-ZCFIWIBFSA-N 0 3 184.308 2.424 10 0 AEAEHN Cc1c(C)c(C[NH3+])c(C)c(Cl)c1[O-] 259267664 573997686 /nfs/dbraw/zinc/99/76/86/573997686.db2.gz AVXHFXDKJADHAX-UHFFFAOYSA-N 0 3 199.681 2.430 10 0 AEAEHN Cc1cc(C)c(C2(N)CC2)c(Cl)n1 104475812 573998033 /nfs/dbraw/zinc/99/80/33/573998033.db2.gz SGSRNLAGDRVLEU-UHFFFAOYSA-N 0 3 196.681 2.300 10 0 AEAEHN [NH3+][C@H](CC1CC1)c1ccc(F)c([O-])c1 104482377 573998157 /nfs/dbraw/zinc/99/81/57/573998157.db2.gz YKLLXQZONYZSQC-SNVBAGLBSA-N 0 3 195.237 2.331 10 0 AEAEHN [NH3+][C@@H](CC1CC1)c1ccc(F)c([O-])c1 104482383 573998279 /nfs/dbraw/zinc/99/82/79/573998279.db2.gz YKLLXQZONYZSQC-JTQLQIEISA-N 0 3 195.237 2.331 10 0 AEAEHN CCC1=C(C)SC[C@H](C)N1 238236402 574000476 /nfs/dbraw/zinc/00/04/76/574000476.db2.gz NHYNAICEQOUFSK-LURJTMIESA-N 0 3 157.282 2.353 10 0 AEAEHN O=C(CCC1CCCC1)CNC1CC1 82291866 574000759 /nfs/dbraw/zinc/00/07/59/574000759.db2.gz DFJPDGFWSWDIHU-UHFFFAOYSA-N 0 3 195.306 2.278 10 0 AEAEHN [NH3+][C@@H](CC1CC1)c1cc([O-])cc(F)c1 104482398 574000872 /nfs/dbraw/zinc/00/08/72/574000872.db2.gz HIOKKNGBDCMQRR-NSHDSACASA-N 0 3 195.237 2.331 10 0 AEAEHN COc1ccc(O)cc1[C@@H](N)C(C)C 104481824 574000883 /nfs/dbraw/zinc/00/08/83/574000883.db2.gz JRSXJCZVMCYUMT-NSHDSACASA-N 0 3 195.262 2.057 10 0 AEAEHN C1=C[C@H]2CC[C@@H](C1)N2c1ccncc1 585378996 574002635 /nfs/dbraw/zinc/00/26/35/574002635.db2.gz CQTGGPYCCWLPOK-WDEREUQCSA-N 0 3 186.258 2.379 10 0 AEAEHN OCc1cc([C@H]2CCCCN2)cs1 104487465 574002639 /nfs/dbraw/zinc/00/26/39/574002639.db2.gz SOZREZBUDOYOHI-SNVBAGLBSA-N 0 3 197.303 2.055 10 0 AEAEHN N[C@H]1CCOc2ccc(C(F)F)cc21 104486091 574002682 /nfs/dbraw/zinc/00/26/82/574002682.db2.gz AJEQKMZQEYWLKF-QMMMGPOBSA-N 0 3 199.200 2.407 10 0 AEAEHN CCC[C@@H]([NH3+])c1cccc([O-])c1F 238238868 574002722 /nfs/dbraw/zinc/00/27/22/574002722.db2.gz AAQVFNWGZGWCBV-MRVPVSSYSA-N 0 3 183.226 2.331 10 0 AEAEHN Cc1ccc([C@@H](N)[C@H](C)O)c(Cl)c1 104489326 574002949 /nfs/dbraw/zinc/00/29/49/574002949.db2.gz MAGFXCSWWMQYOF-XVKPBYJWSA-N 0 3 199.681 2.029 10 0 AEAEHN N[C@@H]1CCOc2ccc(C(F)F)cc21 104486085 574003932 /nfs/dbraw/zinc/00/39/32/574003932.db2.gz AJEQKMZQEYWLKF-MRVPVSSYSA-N 0 3 199.200 2.407 10 0 AEAEHN CC[C@H](N)c1cc2cc(N)ccc2o1 104487070 574004121 /nfs/dbraw/zinc/00/41/21/574004121.db2.gz OGFMDPOXIGFVPN-VIFPVBQESA-N 0 3 190.246 2.425 10 0 AEAEHN Cc1ccc([C@@H](N)[C@@H](C)O)c(Cl)c1 104489315 574004258 /nfs/dbraw/zinc/00/42/58/574004258.db2.gz MAGFXCSWWMQYOF-XCBNKYQSSA-N 0 3 199.681 2.029 10 0 AEAEHN CCc1cccnc1[C@@H]1CCCCN1 104488463 574004341 /nfs/dbraw/zinc/00/43/41/574004341.db2.gz AGFMFBQECRCNBX-NSHDSACASA-N 0 3 190.290 2.459 10 0 AEAEHN COc1cc(Cl)ccc1[C@@H]1CCN1 104485819 574004433 /nfs/dbraw/zinc/00/44/33/574004433.db2.gz PBRVSFZSZQADIZ-VIFPVBQESA-N 0 3 197.665 2.383 10 0 AEAEHN N[C@@H]1CCOc2cc(C(F)F)ccc21 104486078 574003732 /nfs/dbraw/zinc/00/37/32/574003732.db2.gz RVPXQHSKEBKVDV-MRVPVSSYSA-N 0 3 199.200 2.407 10 0 AEAEHN CCC[C@@H]1C(=O)C[C@@H](C)N[C@@H]1CC 238239754 574005019 /nfs/dbraw/zinc/00/50/19/574005019.db2.gz GPIZHTDHBAYWNA-KXUCPTDWSA-N 0 3 183.295 2.132 10 0 AEAEHN CCC[C@@H](N)c1cnc(Cl)cc1N 238240011 574005067 /nfs/dbraw/zinc/00/50/67/574005067.db2.gz IIOFAOMWOOCWPZ-SSDOTTSWSA-N 0 3 199.685 2.117 10 0 AEAEHN CCc1cnc(N)c2ccc(O)cc12 258200890 574005087 /nfs/dbraw/zinc/00/50/87/574005087.db2.gz NOYMFKHKXMJXAF-UHFFFAOYSA-N 0 3 188.230 2.085 10 0 AEAEHN N[C@@H](CC1CC1)c1cc(O)ccc1F 104484612 574005090 /nfs/dbraw/zinc/00/50/90/574005090.db2.gz KLTJICQTOBBCBB-NSHDSACASA-N 0 3 195.237 2.331 10 0 AEAEHN CSc1ccc(C2(N)CC2)s1 104486516 574005152 /nfs/dbraw/zinc/00/51/52/574005152.db2.gz PHMVPGQYHMORAB-UHFFFAOYSA-N 0 3 185.317 2.418 10 0 AEAEHN Fc1ccc([C@@H]2CCCCN2)c(F)n1 104487547 574005198 /nfs/dbraw/zinc/00/51/98/574005198.db2.gz DACPVYBUOBHDTM-QMMMGPOBSA-N 0 3 198.216 2.174 10 0 AEAEHN C[C@@H](N)c1cc(Cl)ncc1Cl 104487175 574005293 /nfs/dbraw/zinc/00/52/93/574005293.db2.gz DNXIHOWATSWKAY-SCSAIBSYSA-N 0 3 191.061 2.408 10 0 AEAEHN CCc1nc([C@@H]2CCCN2)oc1CC 258200128 574005318 /nfs/dbraw/zinc/00/53/18/574005318.db2.gz WTROKGKMJBPYAE-VIFPVBQESA-N 0 3 194.278 2.224 10 0 AEAEHN Cc1cc([C@H](C)CC[NH3+])cc([O-])c1F 258201019 574006918 /nfs/dbraw/zinc/00/69/18/574006918.db2.gz YHQQHIOYOQIGJO-SSDOTTSWSA-N 0 3 197.253 2.292 10 0 AEAEHN N[C@H]1CCOc2c(C(F)F)cccc21 104486098 574006966 /nfs/dbraw/zinc/00/69/66/574006966.db2.gz AJYTYYXCKBAYHT-QMMMGPOBSA-N 0 3 199.200 2.407 10 0 AEAEHN Cc1cc([C@@H](C)CC[NH3+])cc([O-])c1F 258201021 574007134 /nfs/dbraw/zinc/00/71/34/574007134.db2.gz YHQQHIOYOQIGJO-ZETCQYMHSA-N 0 3 197.253 2.292 10 0 AEAEHN CCC[C@@H]1C(=O)C[C@H](C)N[C@@H]1CC 238239741 574007236 /nfs/dbraw/zinc/00/72/36/574007236.db2.gz GPIZHTDHBAYWNA-LPEHRKFASA-N 0 3 183.295 2.132 10 0 AEAEHN Cc1c(Cl)cccc1[C@@H](N)[C@@H](C)O 104489348 574009318 /nfs/dbraw/zinc/00/93/18/574009318.db2.gz ZBGMXBVPJCMLOX-XCBNKYQSSA-N 0 3 199.681 2.029 10 0 AEAEHN CCC[C@@H](N)c1ccc(F)nc1F 104494246 574009436 /nfs/dbraw/zinc/00/94/36/574009436.db2.gz IVICPGULSUWDCG-SSDOTTSWSA-N 0 3 186.205 2.160 10 0 AEAEHN CC1=CNC=N[C@@H]1c1cccs1 238246082 574009468 /nfs/dbraw/zinc/00/94/68/574009468.db2.gz VUOYFMDSMQNPCT-VIFPVBQESA-N 0 3 178.260 2.325 10 0 AEAEHN COC[C@H](C)N1CCC(=C2CC2)CC1 585380544 574009479 /nfs/dbraw/zinc/00/94/79/574009479.db2.gz WVZAVRWTNYRVLM-JTQLQIEISA-N 0 3 195.306 2.208 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1n1cncc1CN 85196544 574009705 /nfs/dbraw/zinc/00/97/05/574009705.db2.gz SXDSZTQAZPPETN-KOLCDFICSA-N 0 3 193.294 2.093 10 0 AEAEHN CNCc1cncn1C1CCCCC1 85196501 574009793 /nfs/dbraw/zinc/00/97/93/574009793.db2.gz CITJRLFSKWDTQY-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN COC[C@H](N)c1c(C)cccc1Cl 104494056 574009827 /nfs/dbraw/zinc/00/98/27/574009827.db2.gz GTVOHFUELCBGSW-VIFPVBQESA-N 0 3 199.681 2.295 10 0 AEAEHN COC[C@@H](N)c1c(C)cccc1Cl 104494053 574009869 /nfs/dbraw/zinc/00/98/69/574009869.db2.gz GTVOHFUELCBGSW-SECBINFHSA-N 0 3 199.681 2.295 10 0 AEAEHN COC[C@@H](C)N1CCC(=C2CC2)CC1 585380545 574011470 /nfs/dbraw/zinc/01/14/70/574011470.db2.gz WVZAVRWTNYRVLM-SNVBAGLBSA-N 0 3 195.306 2.208 10 0 AEAEHN C[C@H]1CCCC[C@@H]1n1cncc1CN 85196546 574010873 /nfs/dbraw/zinc/01/08/73/574010873.db2.gz SXDSZTQAZPPETN-ONGXEEELSA-N 0 3 193.294 2.093 10 0 AEAEHN CCNCc1cncn1C(CC)CC 85196469 574011074 /nfs/dbraw/zinc/01/10/74/574011074.db2.gz CBRUXMXHYZTTIE-UHFFFAOYSA-N 0 3 195.310 2.354 10 0 AEAEHN COc1cccc(Cl)c1[C@H]1CCN1 104493673 574011109 /nfs/dbraw/zinc/01/11/09/574011109.db2.gz UPCRXGYMOHGJEV-MRVPVSSYSA-N 0 3 197.665 2.383 10 0 AEAEHN C[C@@H](C1CCCC1)n1cncc1CN 85199413 574011114 /nfs/dbraw/zinc/01/11/14/574011114.db2.gz OVVCEAALHAIDPC-VIFPVBQESA-N 0 3 193.294 2.093 10 0 AEAEHN COC[C@@H](N)c1cc(Cl)ccc1C 104494027 574011165 /nfs/dbraw/zinc/01/11/65/574011165.db2.gz MXRXQYSGMVLMIU-SNVBAGLBSA-N 0 3 199.681 2.295 10 0 AEAEHN C[C@H](C1CCCC1)n1cncc1CN 85199416 574011170 /nfs/dbraw/zinc/01/11/70/574011170.db2.gz OVVCEAALHAIDPC-SECBINFHSA-N 0 3 193.294 2.093 10 0 AEAEHN COc1cc(F)cc(F)c1[C@@H]1CCN1 104490910 574011291 /nfs/dbraw/zinc/01/12/91/574011291.db2.gz XUXMXXJTESPYNV-QMMMGPOBSA-N 0 3 199.200 2.008 10 0 AEAEHN CC1=C(C)C[C@@H](c2ccccn2)NC1 238246113 574011597 /nfs/dbraw/zinc/01/15/97/574011597.db2.gz PHBZKUUAMAWJHJ-LBPRGKRZSA-N 0 3 188.274 2.452 10 0 AEAEHN C[C@@H]1CCCC[C@H]1n1cncc1CN 85196550 574011633 /nfs/dbraw/zinc/01/16/33/574011633.db2.gz SXDSZTQAZPPETN-MWLCHTKSSA-N 0 3 193.294 2.093 10 0 AEAEHN CC1=C(C)C[C@H](c2ccccn2)NC1 238246519 574011667 /nfs/dbraw/zinc/01/16/67/574011667.db2.gz PHBZKUUAMAWJHJ-GFCCVEGCSA-N 0 3 188.274 2.452 10 0 AEAEHN C[C@@H]1CCC[C@H](n2cncc2CN)C1 85196829 574011846 /nfs/dbraw/zinc/01/18/46/574011846.db2.gz QMCUBNNKNJNXCB-ZJUUUORDSA-N 0 3 193.294 2.093 10 0 AEAEHN COc1c(Cl)cccc1[C@H]1CCN1 104495059 574012007 /nfs/dbraw/zinc/01/20/07/574012007.db2.gz KIPDTLHAFDEOCG-SECBINFHSA-N 0 3 197.665 2.383 10 0 AEAEHN C[C@H]1CCC[C@H](n2cncc2CN)C1 85196832 574012147 /nfs/dbraw/zinc/01/21/47/574012147.db2.gz QMCUBNNKNJNXCB-UWVGGRQHSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CCCC[C@H]1n1cncc1CN 85196553 574012223 /nfs/dbraw/zinc/01/22/23/574012223.db2.gz SXDSZTQAZPPETN-GXSJLCMTSA-N 0 3 193.294 2.093 10 0 AEAEHN CCC[C@@H](N)c1ncc(Cl)cc1N 104496717 574012860 /nfs/dbraw/zinc/01/28/60/574012860.db2.gz KRKYKJCMALMVFN-SSDOTTSWSA-N 0 3 199.685 2.117 10 0 AEAEHN NCc1cncn1C1CCCCCC1 85196741 574012937 /nfs/dbraw/zinc/01/29/37/574012937.db2.gz LUPAVGWDOGNHEC-UHFFFAOYSA-N 0 3 193.294 2.237 10 0 AEAEHN COc1cc(F)cc(F)c1[C@H]1CCN1 104498863 574012960 /nfs/dbraw/zinc/01/29/60/574012960.db2.gz XUXMXXJTESPYNV-MRVPVSSYSA-N 0 3 199.200 2.008 10 0 AEAEHN CCC(CC)C[C@H](N)c1cnccn1 128047660 574013037 /nfs/dbraw/zinc/01/30/37/574013037.db2.gz YAZPAGIYJBRERF-JTQLQIEISA-N 0 3 193.294 2.303 10 0 AEAEHN CC[C@@H](N)c1ccc2cccnc2n1 104498066 574013056 /nfs/dbraw/zinc/01/30/56/574013056.db2.gz YVVXVUFGVYVVBM-SECBINFHSA-N 0 3 187.246 2.040 10 0 AEAEHN CC(C)[C@H](N)c1cccc(Cl)n1 104496727 574013174 /nfs/dbraw/zinc/01/31/74/574013174.db2.gz PYQQEKGNSNGMAC-VIFPVBQESA-N 0 3 184.670 2.391 10 0 AEAEHN C[C@H]1CCC[C@@H](n2cncc2CN)C1 85196838 574013250 /nfs/dbraw/zinc/01/32/50/574013250.db2.gz QMCUBNNKNJNXCB-VHSXEESVSA-N 0 3 193.294 2.093 10 0 AEAEHN CCC[C@H](N)c1c(F)cncc1F 104495601 574013443 /nfs/dbraw/zinc/01/34/43/574013443.db2.gz LKYBVTQVMAVQBX-QMMMGPOBSA-N 0 3 186.205 2.160 10 0 AEAEHN CC[C@H](C)[C@](C)(N)C(F)F 87688199 574013477 /nfs/dbraw/zinc/01/34/77/574013477.db2.gz YWDMMBLGITXXJV-FSPLSTOPSA-N 0 3 151.200 2.015 10 0 AEAEHN C[C@@H]1CCCC[C@@]1(N)C(F)F 87688320 574013500 /nfs/dbraw/zinc/01/35/00/574013500.db2.gz SKTYUEANDYHTDQ-SVRRBLITSA-N 0 3 163.211 2.159 10 0 AEAEHN CC1CCC(n2cncc2CN)CC1 85196673 574013564 /nfs/dbraw/zinc/01/35/64/574013564.db2.gz WPAPYTTVTJIMFE-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN CC(C)[C@@H](N)c1cccc(Cl)n1 104496730 574014309 /nfs/dbraw/zinc/01/43/09/574014309.db2.gz PYQQEKGNSNGMAC-SECBINFHSA-N 0 3 184.670 2.391 10 0 AEAEHN C[C@@H]1CC[C@@H](C)[C@](N)(C(F)F)C1 87688085 574014405 /nfs/dbraw/zinc/01/44/05/574014405.db2.gz AGKYPVQPEHLMGS-BHNWBGBOSA-N 0 3 177.238 2.405 10 0 AEAEHN COc1cc(F)c(F)cc1[C@H]1CCN1 104498879 574014406 /nfs/dbraw/zinc/01/44/06/574014406.db2.gz IYLDWPFXBBDJIP-SECBINFHSA-N 0 3 199.200 2.008 10 0 AEAEHN COc1cc(F)c(F)cc1[C@@H]1CCN1 104498874 574014523 /nfs/dbraw/zinc/01/45/23/574014523.db2.gz IYLDWPFXBBDJIP-VIFPVBQESA-N 0 3 199.200 2.008 10 0 AEAEHN CC[C@H](N)c1ccc2cccnc2n1 104498061 574014541 /nfs/dbraw/zinc/01/45/41/574014541.db2.gz YVVXVUFGVYVVBM-VIFPVBQESA-N 0 3 187.246 2.040 10 0 AEAEHN CC[C@@H](C)C[C@@H](N)c1nccn1CC 128065499 574014650 /nfs/dbraw/zinc/01/46/50/574014650.db2.gz QBCGDTPYKQWKDH-NXEZZACHSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](C)[C@@](C)(N)C(F)F 87688201 574014699 /nfs/dbraw/zinc/01/46/99/574014699.db2.gz YWDMMBLGITXXJV-CAHLUQPWSA-N 0 3 151.200 2.015 10 0 AEAEHN CC[C@](N)(C(C)C)C(F)F 87687957 574014709 /nfs/dbraw/zinc/01/47/09/574014709.db2.gz USMLDEOFQSFFDF-ZETCQYMHSA-N 0 3 151.200 2.015 10 0 AEAEHN CCC(CC)[C@@H](N)c1nccn1CC 128074015 574014729 /nfs/dbraw/zinc/01/47/29/574014729.db2.gz JXBDHUCONJAOGX-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@@H]1CC[C@@](N)(C(F)F)[C@H](C)C1 87688332 574014786 /nfs/dbraw/zinc/01/47/86/574014786.db2.gz FCRMUZXJWZXQSN-BHNWBGBOSA-N 0 3 177.238 2.405 10 0 AEAEHN N[C@@H]1COc2cc3ccccc3cc21 104496768 574014797 /nfs/dbraw/zinc/01/47/97/574014797.db2.gz KITCDERHQOXDGS-LLVKDONJSA-N 0 3 185.226 2.232 10 0 AEAEHN C[C@H]1C[C@@](N)(C(F)F)CC[C@H]1C 87688306 574014854 /nfs/dbraw/zinc/01/48/54/574014854.db2.gz OGFRATFKEVOKFT-BKPPORCPSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1C[C@H](C)CC(N)(C(F)F)C1 87687973 574014910 /nfs/dbraw/zinc/01/49/10/574014910.db2.gz PWTZXAMVHOYFKJ-BQBZGAKWSA-N 0 3 177.238 2.405 10 0 AEAEHN CCC[C@H](N)c1ncc(F)cc1F 104495617 574014994 /nfs/dbraw/zinc/01/49/94/574014994.db2.gz ZLDHCCBVXRYYBS-QMMMGPOBSA-N 0 3 186.205 2.160 10 0 AEAEHN C[C@H]1CCC[C@H](C)C1(N)C(F)F 87687976 574016245 /nfs/dbraw/zinc/01/62/45/574016245.db2.gz QPCQWWTVBZNPNU-BQBZGAKWSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@H](N)c1cc(Cl)ncc1F 104503552 574016359 /nfs/dbraw/zinc/01/63/59/574016359.db2.gz PCVNYNPQZKTMAF-ZETCQYMHSA-N 0 3 188.633 2.284 10 0 AEAEHN COC[C@H](N)c1cc(C)c(C)s1 104501188 574016498 /nfs/dbraw/zinc/01/64/98/574016498.db2.gz BVYRAVLPVHGJOD-QMMMGPOBSA-N 0 3 185.292 2.011 10 0 AEAEHN CCn1ccnc1[C@@H](N)[C@H](C)C(C)C 128077826 574016572 /nfs/dbraw/zinc/01/65/72/574016572.db2.gz FMMSXQQGEOBBEJ-ZJUUUORDSA-N 0 3 195.310 2.195 10 0 AEAEHN CC(C)C[C@@](C)(N)C(F)F 87688358 574016580 /nfs/dbraw/zinc/01/65/80/574016580.db2.gz VZYHSHFFCIYRIN-SSDOTTSWSA-N 0 3 151.200 2.015 10 0 AEAEHN C[C@](N)(C(F)F)C1CCCC1 87688372 574016716 /nfs/dbraw/zinc/01/67/16/574016716.db2.gz QYFCTVPELVVYHZ-MRVPVSSYSA-N 0 3 163.211 2.159 10 0 AEAEHN OCc1sccc1[C@H]1CCCCN1 104502878 574016722 /nfs/dbraw/zinc/01/67/22/574016722.db2.gz AZUHRZUMLIRIJM-SECBINFHSA-N 0 3 197.303 2.055 10 0 AEAEHN CC(C)C[C@](C)(N)C(F)F 87688357 574016736 /nfs/dbraw/zinc/01/67/36/574016736.db2.gz VZYHSHFFCIYRIN-ZETCQYMHSA-N 0 3 151.200 2.015 10 0 AEAEHN CC[C@@](N)(C(C)C)C(F)F 87687956 574016773 /nfs/dbraw/zinc/01/67/73/574016773.db2.gz USMLDEOFQSFFDF-SSDOTTSWSA-N 0 3 151.200 2.015 10 0 AEAEHN CC[C@H](C)C[C@@H](N)c1nccn1CC 128065741 574016830 /nfs/dbraw/zinc/01/68/30/574016830.db2.gz QBCGDTPYKQWKDH-VHSXEESVSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@@H](C)[C@H](NC)c1cnccn1 128085494 574016840 /nfs/dbraw/zinc/01/68/40/574016840.db2.gz CRWMLERLPCCIGP-KOLCDFICSA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@@H]1CCC[C@@](N)(C(F)F)[C@@H]1C 87688274 574016857 /nfs/dbraw/zinc/01/68/57/574016857.db2.gz CSWRSZQDBQWYGO-BHNWBGBOSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@@H]1CC[C@@](N)(C(F)F)C1 87688163 574016885 /nfs/dbraw/zinc/01/68/85/574016885.db2.gz XCCCOVNZIQZZAF-SVRRBLITSA-N 0 3 163.211 2.159 10 0 AEAEHN COC[C@@H](N)c1cc(C)c(C)s1 104501184 574016961 /nfs/dbraw/zinc/01/69/61/574016961.db2.gz BVYRAVLPVHGJOD-MRVPVSSYSA-N 0 3 185.292 2.011 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1nccn1CC 128058678 574016967 /nfs/dbraw/zinc/01/69/67/574016967.db2.gz QIKYPRDZPVXYHP-ZJUUUORDSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](C)C[C@H](N)c1nccn1CC 128065279 574016998 /nfs/dbraw/zinc/01/69/98/574016998.db2.gz QBCGDTPYKQWKDH-UWVGGRQHSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@@H]1CC[C@](N)(C(F)F)[C@H](C)C1 87688330 574016238 /nfs/dbraw/zinc/01/62/38/574016238.db2.gz FCRMUZXJWZXQSN-ZXFLCMHBSA-N 0 3 177.238 2.405 10 0 AEAEHN OCc1cc([C@@H]2CCCCN2)cs1 104502863 574017756 /nfs/dbraw/zinc/01/77/56/574017756.db2.gz SOZREZBUDOYOHI-JTQLQIEISA-N 0 3 197.303 2.055 10 0 AEAEHN Cc1ccc2c(c1Cl)OCC[C@@H]2N 104499821 574017809 /nfs/dbraw/zinc/01/78/09/574017809.db2.gz SWWIORPPNLHHCJ-QMMMGPOBSA-N 0 3 197.665 2.431 10 0 AEAEHN COc1c([C@H]2CCN2)ccc(F)c1F 104499995 574017831 /nfs/dbraw/zinc/01/78/31/574017831.db2.gz HRPMPMAUOATDFZ-MRVPVSSYSA-N 0 3 199.200 2.008 10 0 AEAEHN CC[C@@H](N)c1cc(Cl)ncc1F 104503556 574017836 /nfs/dbraw/zinc/01/78/36/574017836.db2.gz PCVNYNPQZKTMAF-SSDOTTSWSA-N 0 3 188.633 2.284 10 0 AEAEHN C[C@H](N)c1cnccc1C(F)(F)F 104502525 574017847 /nfs/dbraw/zinc/01/78/47/574017847.db2.gz JJHWPZSSWOCMTL-YFKPBYRVSA-N 0 3 190.168 2.120 10 0 AEAEHN CCN[C@H](COCC)c1ccc(C)o1 131803283 574018116 /nfs/dbraw/zinc/01/81/16/574018116.db2.gz APDICZQLYDGDBU-SNVBAGLBSA-N 0 3 197.278 2.275 10 0 AEAEHN CCC[C@H](C)[C@@H](NC)c1cnccn1 128086184 574018203 /nfs/dbraw/zinc/01/82/03/574018203.db2.gz CRWMLERLPCCIGP-GXSJLCMTSA-N 0 3 193.294 2.173 10 0 AEAEHN CCC[C@H](C)[C@H](NC)c1cnccn1 128085714 574018374 /nfs/dbraw/zinc/01/83/74/574018374.db2.gz CRWMLERLPCCIGP-ONGXEEELSA-N 0 3 193.294 2.173 10 0 AEAEHN N[C@@H](CC1CC1)c1ccc(F)nc1F 104504080 574019604 /nfs/dbraw/zinc/01/96/04/574019604.db2.gz IVMAMZQVUAJGMK-QMMMGPOBSA-N 0 3 198.216 2.160 10 0 AEAEHN N[C@H](CC1CC1)c1c(F)cncc1F 104504770 574019921 /nfs/dbraw/zinc/01/99/21/574019921.db2.gz SYVJRBWNFJCJJA-SECBINFHSA-N 0 3 198.216 2.160 10 0 AEAEHN Fc1cc([C@H]2CCCCN2)cnc1F 104504071 574019951 /nfs/dbraw/zinc/01/99/51/574019951.db2.gz HXYSCBSPKOSOJR-SECBINFHSA-N 0 3 198.216 2.174 10 0 AEAEHN Fc1cc([C@@H]2CCCCN2)cnc1F 104504067 574020070 /nfs/dbraw/zinc/02/00/70/574020070.db2.gz HXYSCBSPKOSOJR-VIFPVBQESA-N 0 3 198.216 2.174 10 0 AEAEHN N[C@H](c1ccoc1)[C@H]1CCCS1 87711639 574020358 /nfs/dbraw/zinc/02/03/58/574020358.db2.gz JRLVCGOTFNXWPM-RKDXNWHRSA-N 0 3 183.276 2.175 10 0 AEAEHN N[C@@H](c1cc(Cl)ccn1)C1CC1 104509908 574021410 /nfs/dbraw/zinc/02/14/10/574021410.db2.gz OOSUCJAULCTCAS-SECBINFHSA-N 0 3 182.654 2.145 10 0 AEAEHN N[C@@H](c1ccoc1)[C@@H]1CCCS1 87711636 574021450 /nfs/dbraw/zinc/02/14/50/574021450.db2.gz JRLVCGOTFNXWPM-IUCAKERBSA-N 0 3 183.276 2.175 10 0 AEAEHN CN[C@@H](c1ccco1)[C@H]1CCCS1 87712061 574021472 /nfs/dbraw/zinc/02/14/72/574021472.db2.gz UVXMYVATHVSMRF-ZJUUUORDSA-N 0 3 197.303 2.436 10 0 AEAEHN CNc1ccc2c(c1)CN(C(C)C)C2 259278576 574021667 /nfs/dbraw/zinc/02/16/67/574021667.db2.gz KIKMSHLYFKHEKC-UHFFFAOYSA-N 0 3 190.290 2.452 10 0 AEAEHN COc1ccc(SC(C)(C)N)cc1 259277794 574022073 /nfs/dbraw/zinc/02/20/73/574022073.db2.gz RNVHZYHEIBOKHL-UHFFFAOYSA-N 0 3 197.303 2.482 10 0 AEAEHN CCCSc1ccc(CNC)cn1 87719918 574022103 /nfs/dbraw/zinc/02/21/03/574022103.db2.gz NHKMXIJYYLYSRB-UHFFFAOYSA-N 0 3 196.319 2.303 10 0 AEAEHN Nc1cccc(NC2CCCCC2)n1 87725731 574022307 /nfs/dbraw/zinc/02/23/07/574022307.db2.gz HXSGPMCYRXUVRS-UHFFFAOYSA-N 0 3 191.278 2.408 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccsc1N 104516576 574022316 /nfs/dbraw/zinc/02/23/16/574022316.db2.gz ZYOKTBIWOJZOMN-ZETCQYMHSA-N 0 3 184.308 2.376 10 0 AEAEHN CC[C@@H]1CCCN1c1cccc(N)n1 87727068 574022340 /nfs/dbraw/zinc/02/23/40/574022340.db2.gz RQTOEOMZWJSYGZ-SECBINFHSA-N 0 3 191.278 2.043 10 0 AEAEHN CC1(C)CCCN1c1cccc(N)n1 87731399 574022356 /nfs/dbraw/zinc/02/23/56/574022356.db2.gz PAVPQFSOUYAHQN-UHFFFAOYSA-N 0 3 191.278 2.043 10 0 AEAEHN CC1(Nc2cccc(N)n2)CCCC1 87726071 574022424 /nfs/dbraw/zinc/02/24/24/574022424.db2.gz QOJDWPKIVSKJCZ-UHFFFAOYSA-N 0 3 191.278 2.408 10 0 AEAEHN CCC(CC)Nc1cccc(N)n1 87725748 574022492 /nfs/dbraw/zinc/02/24/92/574022492.db2.gz BQXBFFUGNVPKNS-UHFFFAOYSA-N 0 3 179.267 2.264 10 0 AEAEHN C[C@@H]1CC[C@@H](N[C@H](C)c2cc[nH]n2)C1 223748996 574022569 /nfs/dbraw/zinc/02/25/69/574022569.db2.gz JZNNSUUBEUKKAV-OPRDCNLKSA-N 0 3 193.294 2.249 10 0 AEAEHN CC[C@@H](N)c1cc(Cl)ccn1 104513416 574022725 /nfs/dbraw/zinc/02/27/25/574022725.db2.gz WNUVVJWSJPZYQA-SSDOTTSWSA-N 0 3 170.643 2.145 10 0 AEAEHN CC(C)[C@@H](C)CNc1cccc(N)n1 87726557 574022803 /nfs/dbraw/zinc/02/28/03/574022803.db2.gz GXHDHCUPGHGYSO-VIFPVBQESA-N 0 3 193.294 2.368 10 0 AEAEHN CC(C)[C@@H](C)N(C)c1cccc(N)n1 87727015 574022850 /nfs/dbraw/zinc/02/28/50/574022850.db2.gz MRUFOMOZZTXNEH-SECBINFHSA-N 0 3 193.294 2.145 10 0 AEAEHN CC(C)CCNc1cccc(N)n1 87725779 574022962 /nfs/dbraw/zinc/02/29/62/574022962.db2.gz ZVZKNYQASOVPKO-UHFFFAOYSA-N 0 3 179.267 2.122 10 0 AEAEHN CC(C)[C@H](C)Nc1cccc(N)n1 87725728 574022987 /nfs/dbraw/zinc/02/29/87/574022987.db2.gz ZNWZDQDPNUBPGZ-QMMMGPOBSA-N 0 3 179.267 2.120 10 0 AEAEHN CN[C@H](C)c1ccnc(Cl)c1 104519306 574025223 /nfs/dbraw/zinc/02/52/23/574025223.db2.gz JQNIMJSDMSQNPV-ZCFIWIBFSA-N 0 3 170.643 2.015 10 0 AEAEHN CN[C@H](C)c1cccnc1Cl 104518001 574025372 /nfs/dbraw/zinc/02/53/72/574025372.db2.gz PVXYCKCBZMGPDX-ZCFIWIBFSA-N 0 3 170.643 2.015 10 0 AEAEHN CN[C@H](C)c1ccccc1C(C)=O 104523708 574025376 /nfs/dbraw/zinc/02/53/76/574025376.db2.gz SRPAHKXQFOWGFO-MRVPVSSYSA-N 0 3 177.247 2.170 10 0 AEAEHN N[C@@H]1C=CSc2sccc21 104518816 574025385 /nfs/dbraw/zinc/02/53/85/574025385.db2.gz DUGXSGLHNYLJOT-ZCFIWIBFSA-N 0 3 169.274 2.367 10 0 AEAEHN CN[C@H](C)c1cc(F)c(F)cc1F 104518634 574025397 /nfs/dbraw/zinc/02/53/97/574025397.db2.gz XGLYYDKEWDIKNF-RXMQYKEDSA-N 0 3 189.180 2.384 10 0 AEAEHN CN[C@H](C)c1ccc(Cl)nc1 104518006 574025539 /nfs/dbraw/zinc/02/55/39/574025539.db2.gz HVYJBIUHHOMMJL-ZCFIWIBFSA-N 0 3 170.643 2.015 10 0 AEAEHN CCc1ccc(-c2c[nH]c(N)n2)s1 85279347 574027595 /nfs/dbraw/zinc/02/75/95/574027595.db2.gz LOGFXQTUSHXDQD-UHFFFAOYSA-N 0 3 193.275 2.283 10 0 AEAEHN CCC(CC)C[C@H](N)c1ccncn1 128106247 574028203 /nfs/dbraw/zinc/02/82/03/574028203.db2.gz AJIUVIVYWXCIJG-JTQLQIEISA-N 0 3 193.294 2.303 10 0 AEAEHN CN[C@H](c1cnccn1)[C@H](C)C(C)C 128111282 574028225 /nfs/dbraw/zinc/02/82/25/574028225.db2.gz OZGUMKQBRYQXGN-KOLCDFICSA-N 0 3 193.294 2.029 10 0 AEAEHN CC(C)C[C@@H]1NC[C@H](C)S1 85302239 574029920 /nfs/dbraw/zinc/02/99/20/574029920.db2.gz RTRLGIWUCTXYLE-JGVFFNPUSA-N 0 3 159.298 2.084 10 0 AEAEHN CC(C)C[C@@H]1NC[C@@H](C)S1 85302237 574029056 /nfs/dbraw/zinc/02/90/56/574029056.db2.gz RTRLGIWUCTXYLE-HTQZYQBOSA-N 0 3 159.298 2.084 10 0 AEAEHN CC1(C)CC[C@]2(C1)NCCS2 87773458 574029059 /nfs/dbraw/zinc/02/90/59/574029059.db2.gz KORKMEZTMDBKRK-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@@H]1CNC[C@@]2(CCC(C)(C)C2)O1 87773783 574029124 /nfs/dbraw/zinc/02/91/24/574029124.db2.gz OEHGUSNVEQVAPY-PWSUYJOCSA-N 0 3 197.322 2.334 10 0 AEAEHN COc1ccc([C@@H](C)N(C)C)cc1F 259284461 574029156 /nfs/dbraw/zinc/02/91/56/574029156.db2.gz VENJGVZUDRQSBC-MRVPVSSYSA-N 0 3 197.253 2.457 10 0 AEAEHN CC1(C)CC[C@](N)(C(F)F)C1 87773596 574029157 /nfs/dbraw/zinc/02/91/57/574029157.db2.gz IHCYWAIZRODBBS-MRVPVSSYSA-N 0 3 163.211 2.159 10 0 AEAEHN CN[C@@H](C)c1ccccc1OCCF 87774280 574029244 /nfs/dbraw/zinc/02/92/44/574029244.db2.gz GJPPBAZUPSKTBA-VIFPVBQESA-N 0 3 197.253 2.315 10 0 AEAEHN COc1ccc([C@H](C)N(C)C)cc1F 259284466 574029297 /nfs/dbraw/zinc/02/92/97/574029297.db2.gz VENJGVZUDRQSBC-QMMMGPOBSA-N 0 3 197.253 2.457 10 0 AEAEHN CC[C@H]1CNC[C@]2(CCC(C)(C)C2)O1 87773782 574029339 /nfs/dbraw/zinc/02/93/39/574029339.db2.gz OEHGUSNVEQVAPY-CMPLNLGQSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H]1CN[C@H](c2ccccc2)CS1 85302820 574029449 /nfs/dbraw/zinc/02/94/49/574029449.db2.gz RFTJZFXFXGFJER-ONGXEEELSA-N 0 3 193.315 2.453 10 0 AEAEHN CN[C@@H](c1cnccn1)[C@@H](C)C(C)C 128111958 574029545 /nfs/dbraw/zinc/02/95/45/574029545.db2.gz OZGUMKQBRYQXGN-GXSJLCMTSA-N 0 3 193.294 2.029 10 0 AEAEHN CN[C@H](c1cnccn1)[C@@H](C)C(C)C 128111498 574029617 /nfs/dbraw/zinc/02/96/17/574029617.db2.gz OZGUMKQBRYQXGN-ONGXEEELSA-N 0 3 193.294 2.029 10 0 AEAEHN CC1(C)CC[C@@]2(C1)NCCS2 87773457 574029732 /nfs/dbraw/zinc/02/97/32/574029732.db2.gz KORKMEZTMDBKRK-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@H]1CNC[C@@]2(CCC(C)(C)C2)O1 87773784 574029786 /nfs/dbraw/zinc/02/97/86/574029786.db2.gz OEHGUSNVEQVAPY-JQWIXIFHSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC[C@H]1NC[C@H](C)S1 85301600 574029852 /nfs/dbraw/zinc/02/98/52/574029852.db2.gz GHOMHWCHQWWARH-YUMQZZPRSA-N 0 3 159.298 2.228 10 0 AEAEHN CCCC[C@@H]1N[C@H](C)CS1 85309900 574031671 /nfs/dbraw/zinc/03/16/71/574031671.db2.gz BDVIOMYVVIHPEW-HTQZYQBOSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@@H]1CS[C@@H](CC(C)(C)C)N1 85309566 574031771 /nfs/dbraw/zinc/03/17/71/574031771.db2.gz YRULXJQGDSCRDF-SFYZADRCSA-N 0 3 173.325 2.474 10 0 AEAEHN C[C@H]1CSC[C@H](c2ccccc2)N1 85310689 574031800 /nfs/dbraw/zinc/03/18/00/574031800.db2.gz XOJPUMXAGUCRNE-GXSJLCMTSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@@H]1CSC[C@@H](c2ccccc2)N1 85310691 574031831 /nfs/dbraw/zinc/03/18/31/574031831.db2.gz XOJPUMXAGUCRNE-KOLCDFICSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@H]1CS[C@H](Cc2ccccc2)N1 85310336 574031869 /nfs/dbraw/zinc/03/18/69/574031869.db2.gz NANDQWLWYBDCRM-GXSJLCMTSA-N 0 3 193.315 2.280 10 0 AEAEHN C[C@@H]1CS[C@H](Cc2ccccc2)N1 85310335 574031988 /nfs/dbraw/zinc/03/19/88/574031988.db2.gz NANDQWLWYBDCRM-MWLCHTKSSA-N 0 3 193.315 2.280 10 0 AEAEHN CC(C)C[C@@H]1N[C@H](C)CS1 85310184 574032251 /nfs/dbraw/zinc/03/22/51/574032251.db2.gz PDRANCLHCBCWRG-HTQZYQBOSA-N 0 3 159.298 2.084 10 0 AEAEHN CC(C)C[C@@H]1N[C@@H](C)CS1 85310186 574032254 /nfs/dbraw/zinc/03/22/54/574032254.db2.gz PDRANCLHCBCWRG-JGVFFNPUSA-N 0 3 159.298 2.084 10 0 AEAEHN C[C@H]1CS[C@@H](CC(C)(C)C)N1 85309568 574032364 /nfs/dbraw/zinc/03/23/64/574032364.db2.gz YRULXJQGDSCRDF-YUMQZZPRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)C[C@H]1N[C@H](C)CS1 85310188 574032382 /nfs/dbraw/zinc/03/23/82/574032382.db2.gz PDRANCLHCBCWRG-SFYZADRCSA-N 0 3 159.298 2.084 10 0 AEAEHN CCCC[C@H]1N[C@H](C)CS1 85309902 574032431 /nfs/dbraw/zinc/03/24/31/574032431.db2.gz BDVIOMYVVIHPEW-SFYZADRCSA-N 0 3 159.298 2.228 10 0 AEAEHN CCCC[C@H]1N[C@@H](C)CS1 85309906 574032466 /nfs/dbraw/zinc/03/24/66/574032466.db2.gz BDVIOMYVVIHPEW-YUMQZZPRSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@@H]1CCSC[C@@H](c2ccco2)N1 85317872 574036363 /nfs/dbraw/zinc/03/63/63/574036363.db2.gz JQWWLKXIPHTDTA-BDAKNGLRSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@H]1CCSC[C@@H](c2ccco2)N1 85317873 574036385 /nfs/dbraw/zinc/03/63/85/574036385.db2.gz JQWWLKXIPHTDTA-IUCAKERBSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@@H]1CCSC[C@H](c2ccco2)N1 85317870 574036416 /nfs/dbraw/zinc/03/64/16/574036416.db2.gz JQWWLKXIPHTDTA-RKDXNWHRSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@H]1CCS[C@H](C(C)(C)C)N1 85318645 574036418 /nfs/dbraw/zinc/03/64/18/574036418.db2.gz LEQHEXNZAADWHJ-JGVFFNPUSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)C[C@H]1N[C@@H](C)CCS1 85318467 574036484 /nfs/dbraw/zinc/03/64/84/574036484.db2.gz CMTXPEHDQCUKFW-IUCAKERBSA-N 0 3 173.325 2.474 10 0 AEAEHN CSCC[C@@H]1N[C@H](C)CCS1 85318708 574036502 /nfs/dbraw/zinc/03/65/02/574036502.db2.gz WSHAULYJOIUUAW-HTQZYQBOSA-N 0 3 191.365 2.181 10 0 AEAEHN C[C@H]1CCS[C@@H](C(C)(C)C)N1 85318647 574036545 /nfs/dbraw/zinc/03/65/45/574036545.db2.gz LEQHEXNZAADWHJ-YUMQZZPRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)[C@@H]1N[C@H](C)CCS1 85318484 574036612 /nfs/dbraw/zinc/03/66/12/574036612.db2.gz UDLUMDAMSKVQPV-HTQZYQBOSA-N 0 3 159.298 2.084 10 0 AEAEHN C[C@@H]1CCS[C@H](C(C)(C)C)N1 85318644 574036642 /nfs/dbraw/zinc/03/66/42/574036642.db2.gz LEQHEXNZAADWHJ-HTQZYQBOSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC[C@H]1N[C@@H](C)CCS1 85318547 574036646 /nfs/dbraw/zinc/03/66/46/574036646.db2.gz QBOLGIWMEBPJDE-YUMQZZPRSA-N 0 3 159.298 2.228 10 0 AEAEHN CCC(CC)C[C@H](NC)c1ncc[nH]1 128211228 574036689 /nfs/dbraw/zinc/03/66/89/574036689.db2.gz KGJGSNQJIWTWIR-JTQLQIEISA-N 0 3 195.310 2.497 10 0 AEAEHN CCC[C@@H]1N[C@@H](C)CCS1 85318546 574036723 /nfs/dbraw/zinc/03/67/23/574036723.db2.gz QBOLGIWMEBPJDE-JGVFFNPUSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@H]1CCSC[C@H](c2ccco2)N1 85317871 574036737 /nfs/dbraw/zinc/03/67/37/574036737.db2.gz JQWWLKXIPHTDTA-DTWKUNHWSA-N 0 3 197.303 2.436 10 0 AEAEHN CC(C)C[C@@H]1N[C@H](C)CCS1 85318464 574036844 /nfs/dbraw/zinc/03/68/44/574036844.db2.gz CMTXPEHDQCUKFW-RKDXNWHRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@@H](C)Nc1cccc(NC)n1 87806977 574036948 /nfs/dbraw/zinc/03/69/48/574036948.db2.gz QUSAXSSTCYBCKY-MRVPVSSYSA-N 0 3 179.267 2.334 10 0 AEAEHN CCNc1cccc(NC2CC2)n1 87807059 574036986 /nfs/dbraw/zinc/03/69/86/574036986.db2.gz PRFGPEDXRCFUTB-UHFFFAOYSA-N 0 3 177.251 2.088 10 0 AEAEHN CC(C)[C@@H]1NCC[C@H](C)S1 85341955 574037164 /nfs/dbraw/zinc/03/71/64/574037164.db2.gz JBVVCMFESMIXDA-JGVFFNPUSA-N 0 3 159.298 2.084 10 0 AEAEHN C[C@@H]1CCN[C@H](C(C)(C)C)S1 85342256 574037190 /nfs/dbraw/zinc/03/71/90/574037190.db2.gz RKISCBRSTFONDY-SFYZADRCSA-N 0 3 173.325 2.474 10 0 AEAEHN Cc1ccc([C@H](F)[C@@H](C)N)cc1 258470519 574037218 /nfs/dbraw/zinc/03/72/18/574037218.db2.gz IDGPUZRCERRWLQ-PSASIEDQSA-N 0 3 167.227 2.353 10 0 AEAEHN C[C@@H]1CCN[C@@H](C(C)(C)C)S1 85342261 574038279 /nfs/dbraw/zinc/03/82/79/574038279.db2.gz RKISCBRSTFONDY-HTQZYQBOSA-N 0 3 173.325 2.474 10 0 AEAEHN C[C@H]1CN[C@@H](C2CCCC2)SC1 85337332 574039131 /nfs/dbraw/zinc/03/91/31/574039131.db2.gz MNEOFXJGLSTDIO-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN CC(C)C[C@@H]1NCC[C@H](C)S1 85341922 574038322 /nfs/dbraw/zinc/03/83/22/574038322.db2.gz FJVFMGZBBZOWRU-DTWKUNHWSA-N 0 3 173.325 2.474 10 0 AEAEHN CNc1cccc(NC2CCCC2)n1 87807222 574038424 /nfs/dbraw/zinc/03/84/24/574038424.db2.gz JTJQBHDIGIUPQW-UHFFFAOYSA-N 0 3 191.278 2.478 10 0 AEAEHN C[C@H]1CN[C@H](C2CCCC2)SC1 85337326 574038475 /nfs/dbraw/zinc/03/84/75/574038475.db2.gz MNEOFXJGLSTDIO-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN CNc1cccc(NC(C)(C)C)n1 87801766 574038523 /nfs/dbraw/zinc/03/85/23/574038523.db2.gz AAMJNZWNGJVHGM-UHFFFAOYSA-N 0 3 179.267 2.334 10 0 AEAEHN CCNc1cc(NC(C)C)nc(C)n1 87806726 574038541 /nfs/dbraw/zinc/03/85/41/574038541.db2.gz KFIAFLURIGHISB-UHFFFAOYSA-N 0 3 194.282 2.037 10 0 AEAEHN CCCC[C@H]1NC[C@@H](C)CS1 85337367 574038577 /nfs/dbraw/zinc/03/85/77/574038577.db2.gz CSQDMUTZOUFZOQ-BDAKNGLRSA-N 0 3 173.325 2.475 10 0 AEAEHN CNc1cccc(N2CCCCC2)n1 87806216 574038590 /nfs/dbraw/zinc/03/85/90/574038590.db2.gz QJQVZKIVCLUPFU-UHFFFAOYSA-N 0 3 191.278 2.114 10 0 AEAEHN CC(C)C[C@@H]1NC[C@@H](C)CS1 85337787 574038635 /nfs/dbraw/zinc/03/86/35/574038635.db2.gz JWWJMBNXBZPCAA-RKDXNWHRSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)C[C@H]1NCC[C@H](C)S1 85341918 574038648 /nfs/dbraw/zinc/03/86/48/574038648.db2.gz FJVFMGZBBZOWRU-IUCAKERBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)C[C@H]1NC[C@H](C)CS1 85337785 574038676 /nfs/dbraw/zinc/03/86/76/574038676.db2.gz JWWJMBNXBZPCAA-IUCAKERBSA-N 0 3 173.325 2.331 10 0 AEAEHN C[C@@H]1CN[C@H](C2CCCC2)SC1 85337324 574038691 /nfs/dbraw/zinc/03/86/91/574038691.db2.gz MNEOFXJGLSTDIO-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN CCCNc1cccc(NC2CC2)n1 87807109 574038735 /nfs/dbraw/zinc/03/87/35/574038735.db2.gz SEDLATJDKFKUQI-UHFFFAOYSA-N 0 3 191.278 2.478 10 0 AEAEHN CCC[C@@H]1NCC[C@H](C)S1 85342064 574038749 /nfs/dbraw/zinc/03/87/49/574038749.db2.gz FEIZIYVYNOVZEG-JGVFFNPUSA-N 0 3 159.298 2.228 10 0 AEAEHN CC(C)C[C@@H]1NC[C@H](C)CS1 85337790 574038758 /nfs/dbraw/zinc/03/87/58/574038758.db2.gz JWWJMBNXBZPCAA-DTWKUNHWSA-N 0 3 173.325 2.331 10 0 AEAEHN C[C@H]1CN[C@H](c2ccco2)CSC1 85339393 574038778 /nfs/dbraw/zinc/03/87/78/574038778.db2.gz YKDPUSZQBJGFPJ-IUCAKERBSA-N 0 3 197.303 2.293 10 0 AEAEHN CC(C)[C@@H]1NCC[C@@H](C)S1 85341954 574038795 /nfs/dbraw/zinc/03/87/95/574038795.db2.gz JBVVCMFESMIXDA-HTQZYQBOSA-N 0 3 159.298 2.084 10 0 AEAEHN CN[C@@H](OC)c1cc(C)c(C)cc1C 259293830 574038832 /nfs/dbraw/zinc/03/88/32/574038832.db2.gz QBOAUQWMEBJRMR-LBPRGKRZSA-N 0 3 193.290 2.476 10 0 AEAEHN C[C@@H]1CN[C@@H](C(C)(C)C)SC1 85337292 574038844 /nfs/dbraw/zinc/03/88/44/574038844.db2.gz QCAPDDLCLYNKMW-HTQZYQBOSA-N 0 3 173.325 2.331 10 0 AEAEHN Cc1ccc([C@@H](F)[C@@H](C)N)cc1 258470520 574038849 /nfs/dbraw/zinc/03/88/49/574038849.db2.gz IDGPUZRCERRWLQ-SCZZXKLOSA-N 0 3 167.227 2.353 10 0 AEAEHN CCC[C@H]1NC[C@@H](C)CS1 85338025 574038870 /nfs/dbraw/zinc/03/88/70/574038870.db2.gz XQMFDVZNKMZNEE-SFYZADRCSA-N 0 3 159.298 2.085 10 0 AEAEHN Cc1ccc([C@H](F)[C@H](C)N)cc1 258470521 574038897 /nfs/dbraw/zinc/03/88/97/574038897.db2.gz IDGPUZRCERRWLQ-WCBMZHEXSA-N 0 3 167.227 2.353 10 0 AEAEHN C[C@H]1CCN[C@H](C(C)(C)C)S1 85342258 574038905 /nfs/dbraw/zinc/03/89/05/574038905.db2.gz RKISCBRSTFONDY-YUMQZZPRSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC[C@H]1NCC[C@H](C)S1 85342066 574038961 /nfs/dbraw/zinc/03/89/61/574038961.db2.gz FEIZIYVYNOVZEG-YUMQZZPRSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@H]1CN[C@@H](c2ccco2)CSC1 85339397 574038974 /nfs/dbraw/zinc/03/89/74/574038974.db2.gz YKDPUSZQBJGFPJ-DTWKUNHWSA-N 0 3 197.303 2.293 10 0 AEAEHN CC(C)C[C@H]1NC[C@@H](C)CS1 85337782 574039012 /nfs/dbraw/zinc/03/90/12/574039012.db2.gz JWWJMBNXBZPCAA-BDAKNGLRSA-N 0 3 173.325 2.331 10 0 AEAEHN CCC[C@@H]1NCC[C@@H](C)S1 85342069 574039041 /nfs/dbraw/zinc/03/90/41/574039041.db2.gz FEIZIYVYNOVZEG-HTQZYQBOSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@@H]1CN[C@@H](c2ccco2)CSC1 85339395 574039068 /nfs/dbraw/zinc/03/90/68/574039068.db2.gz YKDPUSZQBJGFPJ-RKDXNWHRSA-N 0 3 197.303 2.293 10 0 AEAEHN CCN(c1cccc(NC)n1)C(C)C 87808967 574039075 /nfs/dbraw/zinc/03/90/75/574039075.db2.gz HHUGHEBBMNJWBA-UHFFFAOYSA-N 0 3 193.294 2.358 10 0 AEAEHN CSCC[C@@H]1NCC[C@H](C)S1 85342383 574041185 /nfs/dbraw/zinc/04/11/85/574041185.db2.gz WPBWRBVCJQHSQY-JGVFFNPUSA-N 0 3 191.365 2.181 10 0 AEAEHN CC[C@H](C)[C@H]1NCC[C@H](C)S1 85342592 574041276 /nfs/dbraw/zinc/04/12/76/574041276.db2.gz PZLFUQQYJUVJFK-CIUDSAMLSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@@H]1CS[C@H](CCSC)N1 85347315 574041300 /nfs/dbraw/zinc/04/13/00/574041300.db2.gz XMFJKPQRWQQWOG-HTQZYQBOSA-N 0 3 191.365 2.181 10 0 AEAEHN CC[C@@H](C)N(C)c1cccc(NC)n1 87809374 574041476 /nfs/dbraw/zinc/04/14/76/574041476.db2.gz LQWOAUJXAKJUDJ-SECBINFHSA-N 0 3 193.294 2.358 10 0 AEAEHN CC[C@H](C)[C@@H]1NCC[C@H](C)S1 85342587 574041604 /nfs/dbraw/zinc/04/16/04/574041604.db2.gz PZLFUQQYJUVJFK-XHNCKOQMSA-N 0 3 173.325 2.474 10 0 AEAEHN CCN(c1cccc(NC)n1)C1CC1 87808829 574041660 /nfs/dbraw/zinc/04/16/60/574041660.db2.gz IPZHSCLFXZRRKO-UHFFFAOYSA-N 0 3 191.278 2.112 10 0 AEAEHN c1ccc2c(c1)C[C@H]2NCc1cc[nH]c1 308831063 574042072 /nfs/dbraw/zinc/04/20/72/574042072.db2.gz AMFUWOOZISAQKA-CYBMUJFWSA-N 0 3 198.269 2.402 10 0 AEAEHN C[C@H]1CCN[C@@H](C(C)(C)C)S1 85342263 574042092 /nfs/dbraw/zinc/04/20/92/574042092.db2.gz RKISCBRSTFONDY-JGVFFNPUSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H]1CS[C@H](CCSC)N1 85347316 574042178 /nfs/dbraw/zinc/04/21/78/574042178.db2.gz XMFJKPQRWQQWOG-JGVFFNPUSA-N 0 3 191.365 2.181 10 0 AEAEHN CCNc1cccc(N[C@@H]2C[C@H]2C)n1 87827344 574043411 /nfs/dbraw/zinc/04/34/11/574043411.db2.gz ZLCJIDUGOGJGFA-RKDXNWHRSA-N 0 3 191.278 2.334 10 0 AEAEHN CCNc1cccc(NC2CCC2)n1 87827071 574043535 /nfs/dbraw/zinc/04/35/35/574043535.db2.gz FMZLBPNYGSHLCQ-UHFFFAOYSA-N 0 3 191.278 2.478 10 0 AEAEHN CNc1cccc(N[C@H](C)C2CC2)n1 87811933 574043553 /nfs/dbraw/zinc/04/35/53/574043553.db2.gz NIHHEQYEFPTPMZ-MRVPVSSYSA-N 0 3 191.278 2.334 10 0 AEAEHN CSCC[C@H]1NC(C)(C)CS1 85349748 574043706 /nfs/dbraw/zinc/04/37/06/574043706.db2.gz WOQVFKHBFXIMOS-ZETCQYMHSA-N 0 3 191.365 2.181 10 0 AEAEHN CCNc1cccc(N[C@H]2C[C@H]2C)n1 87827346 574043855 /nfs/dbraw/zinc/04/38/55/574043855.db2.gz ZLCJIDUGOGJGFA-BDAKNGLRSA-N 0 3 191.278 2.334 10 0 AEAEHN CCOC[C@@H](N)c1ccccc1CC 131834553 574047494 /nfs/dbraw/zinc/04/74/94/574047494.db2.gz WOHIISXNXOEHNB-GFCCVEGCSA-N 0 3 193.290 2.285 10 0 AEAEHN CCOC[C@H](N)c1cc(C)c(C)s1 131835817 574047675 /nfs/dbraw/zinc/04/76/75/574047675.db2.gz XAOQJPQAKOWFFE-VIFPVBQESA-N 0 3 199.319 2.401 10 0 AEAEHN CC1CCC(N2C[C@@H]3C[C@H](C2)O3)CC1 1168219757 760896728 /nfs/dbraw/zinc/89/67/28/760896728.db2.gz NIZYYKVISWXGQH-CAODYFQJSA-N 0 3 195.306 2.038 10 0 AEAEHN COC1(C)CN(C2CCC(C)CC2)C1 1168210604 760896876 /nfs/dbraw/zinc/89/68/76/760896876.db2.gz RROFTXBXONWHAX-UHFFFAOYSA-N 0 3 197.322 2.286 10 0 AEAEHN CC1CCC(N2CCC23COC3)CC1 1168220591 760897142 /nfs/dbraw/zinc/89/71/42/760897142.db2.gz YJHANRMZPNQWCW-UHFFFAOYSA-N 0 3 195.306 2.040 10 0 AEAEHN CC1CCC(N2CCO[C@@H]3C[C@@H]32)CC1 1168222060 760897338 /nfs/dbraw/zinc/89/73/38/760897338.db2.gz VXGZWHVTDPSOKQ-MMVSWEMESA-N 0 3 195.306 2.038 10 0 AEAEHN CCOC1CN(C2CCC(C)CC2)C1 1168210397 760898248 /nfs/dbraw/zinc/89/82/48/760898248.db2.gz NAJZARPCGZOGMO-UHFFFAOYSA-N 0 3 197.322 2.286 10 0 AEAEHN CC1CCC(N2CCO[C@H]3C[C@H]32)CC1 1168222053 760898357 /nfs/dbraw/zinc/89/83/57/760898357.db2.gz VXGZWHVTDPSOKQ-HCWSGVFWSA-N 0 3 195.306 2.038 10 0 AEAEHN COC1CN([C@@H]2CC[C@H](C)[C@H](C)C2)C1 1172367076 761112892 /nfs/dbraw/zinc/11/28/92/761112892.db2.gz QVFGAOPWMFWVIX-HBNTYKKESA-N 0 3 197.322 2.142 10 0 AEAEHN COC1CN([C@@H]2CC[C@H](C)[C@@H](C)C2)C1 1172367071 761114419 /nfs/dbraw/zinc/11/44/19/761114419.db2.gz QVFGAOPWMFWVIX-GARJFASQSA-N 0 3 197.322 2.142 10 0 AEAEHN COC1CN([C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 1172367078 761117896 /nfs/dbraw/zinc/11/78/96/761117896.db2.gz QVFGAOPWMFWVIX-OUAUKWLOSA-N 0 3 197.322 2.142 10 0 AEAEHN COC1CN([C@@H]2CC[C@@H](C)[C@H](C)C2)C1 1172367074 761122966 /nfs/dbraw/zinc/12/29/66/761122966.db2.gz QVFGAOPWMFWVIX-GMTAPVOTSA-N 0 3 197.322 2.142 10 0 AEAEHN C[C@H]1C[C@@H](N(C)C2COC2)CC[C@H]1C 1172371871 761127700 /nfs/dbraw/zinc/12/77/00/761127700.db2.gz BDEHAFLJOHGMMX-VWYCJHECSA-N 0 3 197.322 2.142 10 0 AEAEHN C[C@@H]1CC[C@@H](N(C)C2COC2)C[C@H]1C 1172371868 761128600 /nfs/dbraw/zinc/12/86/00/761128600.db2.gz BDEHAFLJOHGMMX-GMTAPVOTSA-N 0 3 197.322 2.142 10 0 AEAEHN C[C@@H]1CC[C@H](N(C)C2COC2)C[C@H]1C 1172371869 761133948 /nfs/dbraw/zinc/13/39/48/761133948.db2.gz BDEHAFLJOHGMMX-MXWKQRLJSA-N 0 3 197.322 2.142 10 0 AEAEHN C[C@H]1C[C@H](N(C)C2COC2)CC[C@H]1C 1172371870 761134371 /nfs/dbraw/zinc/13/43/71/761134371.db2.gz BDEHAFLJOHGMMX-OUAUKWLOSA-N 0 3 197.322 2.142 10 0 AEAEHN CCC[C@H]1CCCN1Cc1ccon1 1176777668 761442596 /nfs/dbraw/zinc/44/25/96/761442596.db2.gz NGVYCIWTESKZEB-NSHDSACASA-N 0 3 194.278 2.439 10 0 AEAEHN CCC[C@@H]1CCCN1Cc1ccon1 1176777665 761443910 /nfs/dbraw/zinc/44/39/10/761443910.db2.gz NGVYCIWTESKZEB-LLVKDONJSA-N 0 3 194.278 2.439 10 0 AEAEHN CC(=O)CN1CC=CC12CCCCC2 1176995959 761450467 /nfs/dbraw/zinc/45/04/67/761450467.db2.gz PPLOTMJQCFRQNT-UHFFFAOYSA-N 0 3 193.290 2.150 10 0 AEAEHN Cc1cc(CN(C)CC2CCC2)on1 1198414280 761714679 /nfs/dbraw/zinc/71/46/79/761714679.db2.gz KNPZLPCJLWDJFC-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN CCCCCCN1C[C@@H]2C[C@H]1CO2 1201754889 761809635 /nfs/dbraw/zinc/80/96/35/761809635.db2.gz LZVWQGXENQWNKB-QWRGUYRKSA-N 0 3 183.295 2.040 10 0 AEAEHN CCCCCCN(C)C1(C)COC1 1201754346 761809855 /nfs/dbraw/zinc/80/98/55/761809855.db2.gz UWPSEGVMKIJJLK-UHFFFAOYSA-N 0 3 185.311 2.287 10 0 AEAEHN CCCCCCN(C)CCF 1201761869 761811657 /nfs/dbraw/zinc/81/16/57/761811657.db2.gz TUMMQAPFWOFLCN-UHFFFAOYSA-N 0 3 161.264 2.468 10 0 AEAEHN CN(CCC(C)(C)C)C1(C)COC1 1202096173 761815122 /nfs/dbraw/zinc/81/51/22/761815122.db2.gz IAVQQOWNZBTLLC-UHFFFAOYSA-N 0 3 185.311 2.143 10 0 AEAEHN c1coc(CN2CC3CC(C3)C2)c1 1203283382 761841977 /nfs/dbraw/zinc/84/19/77/761841977.db2.gz GGBAFTZPTVAGIX-UHFFFAOYSA-N 0 3 177.247 2.121 10 0 AEAEHN C[C@@H]1CCN1Cc1cccs1 1204014699 761848743 /nfs/dbraw/zinc/84/87/43/761848743.db2.gz NNOZZAVVLINVJO-MRVPVSSYSA-N 0 3 167.277 2.342 10 0 AEAEHN C1=CCN(Cc2cccs2)C1 1204013479 761849193 /nfs/dbraw/zinc/84/91/93/761849193.db2.gz UKRLCHMDHZZZJQ-UHFFFAOYSA-N 0 3 165.261 2.120 10 0 AEAEHN C[C@H]1CCN1Cc1ccsc1 1204034146 761849312 /nfs/dbraw/zinc/84/93/12/761849312.db2.gz BRFOGMZEZUIGNH-QMMMGPOBSA-N 0 3 167.277 2.342 10 0 AEAEHN C[C@@H]1CCN1Cc1ccsc1 1204034139 761849536 /nfs/dbraw/zinc/84/95/36/761849536.db2.gz BRFOGMZEZUIGNH-MRVPVSSYSA-N 0 3 167.277 2.342 10 0 AEAEHN C1=CCN(Cc2ccsc2)C1 1204034490 761849752 /nfs/dbraw/zinc/84/97/52/761849752.db2.gz JXUBPGHJRCYKBC-UHFFFAOYSA-N 0 3 165.261 2.120 10 0 AEAEHN C[C@H]1CCN1Cc1cccs1 1204014702 761850305 /nfs/dbraw/zinc/85/03/05/761850305.db2.gz NNOZZAVVLINVJO-QMMMGPOBSA-N 0 3 167.277 2.342 10 0 AEAEHN c1ccc(CN2CCC[C@@H]3C[C@@H]32)nc1 1204062769 761851253 /nfs/dbraw/zinc/85/12/53/761851253.db2.gz QMWXUBQPQVXDHV-PWSUYJOCSA-N 0 3 188.274 2.066 10 0 AEAEHN c1cc(CN2CCC3(CC3)C2)co1 1204242364 761852226 /nfs/dbraw/zinc/85/22/26/761852226.db2.gz SFLLXQBALGKDSR-UHFFFAOYSA-N 0 3 177.247 2.266 10 0 AEAEHN c1cc(CN2CC3CC(C3)C2)co1 1204243814 761852342 /nfs/dbraw/zinc/85/23/42/761852342.db2.gz KJDJZATWGWRKKH-UHFFFAOYSA-N 0 3 177.247 2.121 10 0 AEAEHN CC(C)CCCN(C)C1(C)COC1 1208735440 762264214 /nfs/dbraw/zinc/26/42/14/762264214.db2.gz HWMBVYZGOGRYNZ-UHFFFAOYSA-N 0 3 185.311 2.143 10 0 AEAEHN C[C@H]1CCCN1Cc1cnsc1 1232225257 764539117 /nfs/dbraw/zinc/53/91/17/764539117.db2.gz YWRXBOPGCBATKF-QMMMGPOBSA-N 0 3 182.292 2.127 10 0 AEAEHN C[C@@H]1CCCN1Cc1cnsc1 1232225256 764542099 /nfs/dbraw/zinc/54/20/99/764542099.db2.gz YWRXBOPGCBATKF-MRVPVSSYSA-N 0 3 182.292 2.127 10 0 AEAEHN Cc1cc(C)c(CN2CC[C@H]2C)cn1 1233008920 764554027 /nfs/dbraw/zinc/55/40/27/764554027.db2.gz WKGXLRIJKUGHQF-LLVKDONJSA-N 0 3 190.290 2.293 10 0 AEAEHN Cc1cc(C)c(CN2CC[C@@H]2C)cn1 1233008921 764558238 /nfs/dbraw/zinc/55/82/38/764558238.db2.gz WKGXLRIJKUGHQF-NSHDSACASA-N 0 3 190.290 2.293 10 0 AEAEHN Cc1ncc(CN(C)CC2CCC2)o1 1233367256 764564095 /nfs/dbraw/zinc/56/40/95/764564095.db2.gz VJJUABHCUZFIQA-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1sccc1CN1CC=CC1 1237965467 764707791 /nfs/dbraw/zinc/70/77/91/764707791.db2.gz ZXWHIIYTEAHPIV-UHFFFAOYSA-N 0 3 179.288 2.428 10 0 AEAEHN CCCCN(C)Cc1cncnc1C 1238168532 764718959 /nfs/dbraw/zinc/71/89/59/764718959.db2.gz RRQSIUDNLLPVCZ-UHFFFAOYSA-N 0 3 193.294 2.017 10 0 AEAEHN NCc1cccc(-c2ccsc2)n1 1239508969 764804566 /nfs/dbraw/zinc/80/45/66/764804566.db2.gz KBKYABQZBMSGKC-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN Cc1cnc(-c2ccoc2)cc1N 1239685795 764815327 /nfs/dbraw/zinc/81/53/27/764815327.db2.gz CXZDJQITHAAJPU-UHFFFAOYSA-N 0 3 174.203 2.232 10 0 AEAEHN NCc1cccc(C2=CCCC2)n1 1239785585 764823562 /nfs/dbraw/zinc/82/35/62/764823562.db2.gz RPNFDXAIHKABSH-UHFFFAOYSA-N 0 3 174.247 2.108 10 0 AEAEHN NCc1cccc(C2=CCCCC2)n1 1241714905 764981700 /nfs/dbraw/zinc/98/17/00/764981700.db2.gz OCUDPTGJDZMRKM-UHFFFAOYSA-N 0 3 188.274 2.498 10 0 AEAEHN CCCCC[C@H](C)N1CCOCC1 36404556 1169073426 /nfs/dbraw/zinc/07/34/26/1169073426.db2.gz NKXCMWIVSOTHOV-NSHDSACASA-N 0 3 185.311 2.287 10 0 AEAEHN CCCCC[C@@H](C)N1CCOCC1 36404555 1169073674 /nfs/dbraw/zinc/07/36/74/1169073674.db2.gz NKXCMWIVSOTHOV-LLVKDONJSA-N 0 3 185.311 2.287 10 0 AEAEHN CCCC[C@H](C)N1CCC(=O)[C@H](C)C1 50888974 1169091949 /nfs/dbraw/zinc/09/19/49/1169091949.db2.gz OXDZUQFXGFVKGH-MNOVXSKESA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)CCCNCc1cnccn1 54766586 1169094895 /nfs/dbraw/zinc/09/48/95/1169094895.db2.gz PKRDYJCPSQKXOP-UHFFFAOYSA-N 0 3 193.294 2.002 10 0 AEAEHN CC(C)[NH2+]Cc1ccc([O-])c(F)c1 83340816 1169112269 /nfs/dbraw/zinc/11/22/69/1169112269.db2.gz DZLVKWIKKAADGQ-UHFFFAOYSA-N 0 3 183.226 2.029 10 0 AEAEHN CCCNCc1cccnc1Cl 83340986 1169112591 /nfs/dbraw/zinc/11/25/91/1169112591.db2.gz OKPGFFMGHUVHRH-UHFFFAOYSA-N 0 3 184.670 2.235 10 0 AEAEHN CC[C@H](C)[NH2+]Cc1ccc([O-])cc1F 83342743 1169112818 /nfs/dbraw/zinc/11/28/18/1169112818.db2.gz FHVPYWWUOWDVGT-QMMMGPOBSA-N 0 3 197.253 2.419 10 0 AEAEHN CC[C@@H](C)[NH2+]Cc1ccc([O-])cc1F 83342742 1169113242 /nfs/dbraw/zinc/11/32/42/1169113242.db2.gz FHVPYWWUOWDVGT-MRVPVSSYSA-N 0 3 197.253 2.419 10 0 AEAEHN COc1ccccc1Nc1ncc[nH]1 84451282 1169119054 /nfs/dbraw/zinc/11/90/54/1169119054.db2.gz GUUIXCGVZFBXPM-UHFFFAOYSA-N 0 3 189.218 2.162 10 0 AEAEHN NCc1cc(-c2ccccc2)ccn1 84448575 1169119633 /nfs/dbraw/zinc/11/96/33/1169119633.db2.gz KUGZSPNESAJGED-UHFFFAOYSA-N 0 3 184.242 2.207 10 0 AEAEHN Cc1ncsc1CN1CC[C@@H]2C[C@@H]21 307203340 673918063 /nfs/dbraw/zinc/91/80/63/673918063.db2.gz GYENYFDKNPKJHJ-BDAKNGLRSA-N 0 3 194.303 2.046 10 0 AEAEHN Cc1ncsc1CN1CC[C@H]2C[C@H]21 307203341 673918080 /nfs/dbraw/zinc/91/80/80/673918080.db2.gz GYENYFDKNPKJHJ-DTWKUNHWSA-N 0 3 194.303 2.046 10 0 AEAEHN Cc1ncoc1CN[C@H](C)C1(C)CC1 894204438 673954175 /nfs/dbraw/zinc/95/41/75/673954175.db2.gz OATBKKKSXCAPKP-SECBINFHSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1ncoc1CN[C@@H](C)C1(C)CC1 894204439 673954655 /nfs/dbraw/zinc/95/46/55/673954655.db2.gz OATBKKKSXCAPKP-VIFPVBQESA-N 0 3 194.278 2.261 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1ccoc1 306795001 673955756 /nfs/dbraw/zinc/95/57/56/673955756.db2.gz IGCDPIXUODFRGU-RKDXNWHRSA-N 0 3 165.236 2.262 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1ccoc1 306795000 673955838 /nfs/dbraw/zinc/95/58/38/673955838.db2.gz IGCDPIXUODFRGU-IUCAKERBSA-N 0 3 165.236 2.262 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1ccoc1 306794999 673955866 /nfs/dbraw/zinc/95/58/66/673955866.db2.gz IGCDPIXUODFRGU-DTORHVGOSA-N 0 3 165.236 2.262 10 0 AEAEHN C[C@@H]1CC[C@@H](N2CCC(=O)[C@H](C)C2)C1 129240560 1169177747 /nfs/dbraw/zinc/17/77/47/1169177747.db2.gz OBHXUQAQIKJJIO-GMTAPVOTSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1CC[C@H](N2CCC(=O)[C@H](C)C2)C1 129240157 1169178004 /nfs/dbraw/zinc/17/80/04/1169178004.db2.gz OBHXUQAQIKJJIO-MXWKQRLJSA-N 0 3 195.306 2.086 10 0 AEAEHN CC1(C)CC[C@@H](n2cncc2CN)C1 128092871 1169178480 /nfs/dbraw/zinc/17/84/80/1169178480.db2.gz GLYNVWOTWKUZSB-SECBINFHSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@@H]1CC[C@@H](C)C1 129251345 1169178583 /nfs/dbraw/zinc/17/85/83/1169178583.db2.gz CRVVEIOZZIXWTK-OUAUKWLOSA-N 0 3 195.306 2.228 10 0 AEAEHN CC1(C)CC[C@@H](N2CCC(=O)CC2)C1 129246743 1169178591 /nfs/dbraw/zinc/17/85/91/1169178591.db2.gz QCPOLXRBACDNAO-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN CC1(C)CC[C@H](N2CCC(=O)CC2)C1 129246484 1169178779 /nfs/dbraw/zinc/17/87/79/1169178779.db2.gz QCPOLXRBACDNAO-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@H]1CC[C@@H](C)C1 129250938 1169179200 /nfs/dbraw/zinc/17/92/00/1169179200.db2.gz CRVVEIOZZIXWTK-VWYCJHECSA-N 0 3 195.306 2.228 10 0 AEAEHN CC1(C)CC[C@H](n2cncc2CN)C1 128092617 1169179865 /nfs/dbraw/zinc/17/98/65/1169179865.db2.gz GLYNVWOTWKUZSB-VIFPVBQESA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@@H]1CC(=O)CCN1CCC(C)(C)C 130073031 1169181882 /nfs/dbraw/zinc/18/18/82/1169181882.db2.gz XBCAQWFPESHOGH-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@H]1CC(=O)CCN1CCC(C)(C)C 130073235 1169183225 /nfs/dbraw/zinc/18/32/25/1169183225.db2.gz XBCAQWFPESHOGH-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CCC[C@H](C)NCc1ncccc1F 131241921 1169185771 /nfs/dbraw/zinc/18/57/71/1169185771.db2.gz GJELONKURDOYAN-VIFPVBQESA-N 0 3 196.269 2.499 10 0 AEAEHN CCC[C@@H](C)NCc1ncccc1F 131241736 1169187078 /nfs/dbraw/zinc/18/70/78/1169187078.db2.gz GJELONKURDOYAN-SECBINFHSA-N 0 3 196.269 2.499 10 0 AEAEHN CC[C@H](C)Nc1cccc(N(C)C)n1 134754924 1169190903 /nfs/dbraw/zinc/19/09/03/1169190903.db2.gz CNWJWQFCHYQMHL-VIFPVBQESA-N 0 3 193.294 2.358 10 0 AEAEHN CC[C@@H](C)Nc1cccc(N(C)C)n1 134754897 1169191034 /nfs/dbraw/zinc/19/10/34/1169191034.db2.gz CNWJWQFCHYQMHL-SECBINFHSA-N 0 3 193.294 2.358 10 0 AEAEHN C[C@H](CN1CCOCC1)CC(C)(C)C 709131087 673977438 /nfs/dbraw/zinc/97/74/38/673977438.db2.gz VOQFOPIKCZAWAD-NSHDSACASA-N 0 3 199.338 2.391 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1ccc(Cl)cn1 703886222 673983768 /nfs/dbraw/zinc/98/37/68/673983768.db2.gz KMTDKEZCJUVPIH-XCBNKYQSSA-N 0 3 196.681 2.233 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1ccc(Cl)cn1 703886223 673984239 /nfs/dbraw/zinc/98/42/39/673984239.db2.gz KMTDKEZCJUVPIH-XVKPBYJWSA-N 0 3 196.681 2.233 10 0 AEAEHN C[C@H]1C[C@H]1NCc1ccc(Cl)cn1 703886221 673984575 /nfs/dbraw/zinc/98/45/75/673984575.db2.gz KMTDKEZCJUVPIH-OIBJUYFYSA-N 0 3 196.681 2.233 10 0 AEAEHN CCCN1CCc2nc(C)sc2C1 142167622 1169206118 /nfs/dbraw/zinc/20/61/18/1169206118.db2.gz WXMZHULUEIMJIM-UHFFFAOYSA-N 0 3 196.319 2.220 10 0 AEAEHN C[C@@H](CN1CCOCC1)CC(C)(C)C 709131083 673993046 /nfs/dbraw/zinc/99/30/46/673993046.db2.gz VOQFOPIKCZAWAD-LLVKDONJSA-N 0 3 199.338 2.391 10 0 AEAEHN Cc1coc(CNCCCF)c1 718070202 674005643 /nfs/dbraw/zinc/00/56/43/674005643.db2.gz JIMXHMJWTRTNDO-UHFFFAOYSA-N 0 3 171.215 2.037 10 0 AEAEHN Cc1cc(CNC[C@@H]2C=CCC2)on1 711780372 674004297 /nfs/dbraw/zinc/00/42/97/674004297.db2.gz YFKMNZLSBWHFCJ-SNVBAGLBSA-N 0 3 192.262 2.039 10 0 AEAEHN Cc1cc(CNC[C@H]2C=CCC2)on1 711780370 674004370 /nfs/dbraw/zinc/00/43/70/674004370.db2.gz YFKMNZLSBWHFCJ-JTQLQIEISA-N 0 3 192.262 2.039 10 0 AEAEHN C=C/C=C/CCNCc1cnc(C)o1 713689064 674014699 /nfs/dbraw/zinc/01/46/99/674014699.db2.gz XNBUYFYPLGSFJE-SNAWJCMRSA-N 0 3 192.262 2.205 10 0 AEAEHN C=C/C=C\CCNCc1cnc(C)o1 713689063 674015132 /nfs/dbraw/zinc/01/51/32/674015132.db2.gz XNBUYFYPLGSFJE-PLNGDYQASA-N 0 3 192.262 2.205 10 0 AEAEHN C=C/C=C/CCNCc1cc(C)no1 713726704 674016031 /nfs/dbraw/zinc/01/60/31/674016031.db2.gz IFJBGMUEZGHDKQ-SNAWJCMRSA-N 0 3 192.262 2.205 10 0 AEAEHN C=C/C=C\CCNCc1cc(C)no1 713726699 674016409 /nfs/dbraw/zinc/01/64/09/674016409.db2.gz IFJBGMUEZGHDKQ-PLNGDYQASA-N 0 3 192.262 2.205 10 0 AEAEHN c1c[nH]c(CNCCCCC2CC2)n1 716396764 674025017 /nfs/dbraw/zinc/02/50/17/674025017.db2.gz FJIJQAUIPNNPQO-UHFFFAOYSA-N 0 3 193.294 2.080 10 0 AEAEHN c1cc(CNCCCCC2CC2)n[nH]1 716397791 674024659 /nfs/dbraw/zinc/02/46/59/674024659.db2.gz JSHLGQUJFMRQJU-UHFFFAOYSA-N 0 3 193.294 2.080 10 0 AEAEHN CCN(C)CCC(=O)c1cccs1 149136014 1169246610 /nfs/dbraw/zinc/24/66/10/1169246610.db2.gz UWDYSYMUGNJDJM-UHFFFAOYSA-N 0 3 197.303 2.273 10 0 AEAEHN C[C@H]1[C@H](C)CN1CCc1ccns1 930581892 674053469 /nfs/dbraw/zinc/05/34/69/674053469.db2.gz JMKNHGLGJPNPFH-BDAKNGLRSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@@H]1CN(CCc2ccns2)[C@@H]1C 930581895 674053545 /nfs/dbraw/zinc/05/35/45/674053545.db2.gz JMKNHGLGJPNPFH-RKDXNWHRSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@H]1CN(CCc2ccns2)[C@H]1C 930581894 674052764 /nfs/dbraw/zinc/05/27/64/674052764.db2.gz JMKNHGLGJPNPFH-IUCAKERBSA-N 0 3 196.319 2.026 10 0 AEAEHN CC(C)(C)CCCNCc1cc[nH]n1 164313229 1169272252 /nfs/dbraw/zinc/27/22/52/1169272252.db2.gz IUYDXDBBFXJPPV-UHFFFAOYSA-N 0 3 195.310 2.326 10 0 AEAEHN C[C@H]1CN(CCc2ccns2)[C@@H]1C 930581893 674053415 /nfs/dbraw/zinc/05/34/15/674053415.db2.gz JMKNHGLGJPNPFH-DTWKUNHWSA-N 0 3 196.319 2.026 10 0 AEAEHN C1=C[C@@H](NCc2ccoc2)CCC1 165896117 1169273615 /nfs/dbraw/zinc/27/36/15/1169273615.db2.gz RXPJPCSFJKHRAI-LLVKDONJSA-N 0 3 177.247 2.478 10 0 AEAEHN C1=C[C@H](NCc2ccoc2)CCC1 165896005 1169274155 /nfs/dbraw/zinc/27/41/55/1169274155.db2.gz RXPJPCSFJKHRAI-NSHDSACASA-N 0 3 177.247 2.478 10 0 AEAEHN Cc1coc(CN[C@H]2CC2(C)C)c1 718070775 674057539 /nfs/dbraw/zinc/05/75/39/674057539.db2.gz PMKCOOFESRJBBF-JTQLQIEISA-N 0 3 179.263 2.476 10 0 AEAEHN CSCCNCc1cc(C)co1 718070247 674058052 /nfs/dbraw/zinc/05/80/52/674058052.db2.gz LDLFNYXRGFAPOE-UHFFFAOYSA-N 0 3 185.292 2.041 10 0 AEAEHN Cc1coc(CN[C@@H]2C[C@@H]2C)c1 718069833 674058203 /nfs/dbraw/zinc/05/82/03/674058203.db2.gz FOUGRRQPGHKUPA-WCBMZHEXSA-N 0 3 165.236 2.086 10 0 AEAEHN C1=CCCC(NCc2ccon2)CC1 718032602 674058221 /nfs/dbraw/zinc/05/82/21/674058221.db2.gz DUSRNJYRXJXQIJ-UHFFFAOYSA-N 0 3 192.262 2.263 10 0 AEAEHN Cc1coc(CN[C@@H]2C[C@H]2C)c1 718029027 674058267 /nfs/dbraw/zinc/05/82/67/674058267.db2.gz FOUGRRQPGHKUPA-PSASIEDQSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1coc(CN[C@H]2C[C@@H]2C)c1 718069834 674058294 /nfs/dbraw/zinc/05/82/94/674058294.db2.gz FOUGRRQPGHKUPA-WPRPVWTQSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1coc(CN[C@H]2C[C@H]2C)c1 718069832 674058308 /nfs/dbraw/zinc/05/83/08/674058308.db2.gz FOUGRRQPGHKUPA-SCZZXKLOSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1coc(CN[C@H]2CCSC2)c1 718110541 674058733 /nfs/dbraw/zinc/05/87/33/674058733.db2.gz UKKKAEPROXUXIE-VIFPVBQESA-N 0 3 197.303 2.183 10 0 AEAEHN CS[C@H](C)CNCc1cc(C)co1 718106605 674058779 /nfs/dbraw/zinc/05/87/79/674058779.db2.gz CLBZHDSBEJZCID-SECBINFHSA-N 0 3 199.319 2.429 10 0 AEAEHN Cc1coc(CNCC[C@@H](C)F)c1 718093228 674058902 /nfs/dbraw/zinc/05/89/02/674058902.db2.gz JTEWHNYLIJVLER-SECBINFHSA-N 0 3 185.242 2.426 10 0 AEAEHN CS[C@@H](C)CNCc1cc(C)co1 718106607 674059074 /nfs/dbraw/zinc/05/90/74/674059074.db2.gz CLBZHDSBEJZCID-VIFPVBQESA-N 0 3 199.319 2.429 10 0 AEAEHN C1=CCCC(NCc2cocn2)CC1 718114802 674059117 /nfs/dbraw/zinc/05/91/17/674059117.db2.gz HRWJFRWTKZIKTH-UHFFFAOYSA-N 0 3 192.262 2.263 10 0 AEAEHN CSC[C@@H](C)NCc1cc(C)co1 718112077 674059122 /nfs/dbraw/zinc/05/91/22/674059122.db2.gz ZHLIOMVZEHJZCI-SECBINFHSA-N 0 3 199.319 2.429 10 0 AEAEHN Cc1coc(CN[C@@H]2CCSC2)c1 718110535 674059135 /nfs/dbraw/zinc/05/91/35/674059135.db2.gz UKKKAEPROXUXIE-SECBINFHSA-N 0 3 197.303 2.183 10 0 AEAEHN Cc1coc(CNCC[C@H](C)F)c1 718093261 674059180 /nfs/dbraw/zinc/05/91/80/674059180.db2.gz JTEWHNYLIJVLER-VIFPVBQESA-N 0 3 185.242 2.426 10 0 AEAEHN CSC[C@H](C)NCc1cc(C)co1 718112080 674059277 /nfs/dbraw/zinc/05/92/77/674059277.db2.gz ZHLIOMVZEHJZCI-VIFPVBQESA-N 0 3 199.319 2.429 10 0 AEAEHN Cc1coc(CN[C@H]2CC23CC3)c1 718142397 674060335 /nfs/dbraw/zinc/06/03/35/674060335.db2.gz BREUGMZCMHGQGL-JTQLQIEISA-N 0 3 177.247 2.230 10 0 AEAEHN Cc1coc(CN[C@@H]2CC23CC3)c1 718142398 674060398 /nfs/dbraw/zinc/06/03/98/674060398.db2.gz BREUGMZCMHGQGL-SNVBAGLBSA-N 0 3 177.247 2.230 10 0 AEAEHN CC[C@H](NCc1nocc1C)C1CC1 720345925 674067468 /nfs/dbraw/zinc/06/74/68/674067468.db2.gz UOPVJIRVDBGBNB-JTQLQIEISA-N 0 3 194.278 2.261 10 0 AEAEHN CC[C@@H](NCc1nocc1C)C1CC1 720345926 674067860 /nfs/dbraw/zinc/06/78/60/674067860.db2.gz UOPVJIRVDBGBNB-SNVBAGLBSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1conc1CN[C@@H]1CCC[C@@H]1C 720351768 674068219 /nfs/dbraw/zinc/06/82/19/674068219.db2.gz NOLQFVJOQHOSSV-WCBMZHEXSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1conc1CN[C@H]1CCC[C@@H]1C 720351771 674068230 /nfs/dbraw/zinc/06/82/30/674068230.db2.gz NOLQFVJOQHOSSV-WPRPVWTQSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1conc1CN[C@@H]1CCC[C@H]1C 720351759 674068272 /nfs/dbraw/zinc/06/82/72/674068272.db2.gz NOLQFVJOQHOSSV-PSASIEDQSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1conc1CN[C@H]1CCC[C@H]1C 720351764 674068329 /nfs/dbraw/zinc/06/83/29/674068329.db2.gz NOLQFVJOQHOSSV-SCZZXKLOSA-N 0 3 194.278 2.261 10 0 AEAEHN CSc1ccccc1CN(C)C 196792188 1169296332 /nfs/dbraw/zinc/29/63/32/1169296332.db2.gz VYSIQYBPPMVBMG-UHFFFAOYSA-N 0 3 181.304 2.470 10 0 AEAEHN CC[C@H]1CC[C@H](N(C)CC(C)=O)C1 201290396 1169304064 /nfs/dbraw/zinc/30/40/64/1169304064.db2.gz IYTCEQCLBBAILL-QWRGUYRKSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@@H]1CC[C@H](N(C)CC(C)=O)C1 201290363 1169304178 /nfs/dbraw/zinc/30/41/78/1169304178.db2.gz IYTCEQCLBBAILL-MNOVXSKESA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H]1CC[C@@H](N(C)CC(C)=O)C1 201290462 1169304508 /nfs/dbraw/zinc/30/45/08/1169304508.db2.gz IYTCEQCLBBAILL-WDEREUQCSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@@H]1CC[C@@H](N(C)CC(C)=O)C1 201290431 1169304603 /nfs/dbraw/zinc/30/46/03/1169304603.db2.gz IYTCEQCLBBAILL-GHMZBOCLSA-N 0 3 183.295 2.086 10 0 AEAEHN C=Cc1cc2[nH]ccc2cn1 208346127 1169323649 /nfs/dbraw/zinc/32/36/49/1169323649.db2.gz NDPDRBDSNKMYRZ-UHFFFAOYSA-N 0 3 144.177 2.206 10 0 AEAEHN Cc1ccc2[nH]c([C@H](C)N)nc2c1C 213125183 1169333450 /nfs/dbraw/zinc/33/34/50/1169333450.db2.gz JIWVQLDRSYYOGA-QMMMGPOBSA-N 0 3 189.262 2.199 10 0 AEAEHN Cc1ccc2[nH]c([C@@H](C)N)nc2c1C 213125122 1169333811 /nfs/dbraw/zinc/33/38/11/1169333811.db2.gz JIWVQLDRSYYOGA-MRVPVSSYSA-N 0 3 189.262 2.199 10 0 AEAEHN CN(C)Cc1cc(C(C)(C)C)c[nH]1 221701547 1169354278 /nfs/dbraw/zinc/35/42/78/1169354278.db2.gz ANAUDQLDBPTDTD-UHFFFAOYSA-N 0 3 180.295 2.374 10 0 AEAEHN CCC[C@H](CC)N1CCC(=O)[C@@H](C)C1 224504782 1169366184 /nfs/dbraw/zinc/36/61/84/1169366184.db2.gz KCXGYARWURAELB-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC[C@@H](CC)N1CCC(=O)[C@@H](C)C1 224504737 1169366728 /nfs/dbraw/zinc/36/67/28/1169366728.db2.gz KCXGYARWURAELB-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC[C@@H](C)N1CCC(=O)[C@@H](C)C1 225010723 1169368208 /nfs/dbraw/zinc/36/82/08/1169368208.db2.gz OXDZUQFXGFVKGH-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC[C@H](C)N1CCC(=O)[C@@H](C)C1 225010766 1169370714 /nfs/dbraw/zinc/37/07/14/1169370714.db2.gz OXDZUQFXGFVKGH-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@H]1CN([C@H]2CC[C@@H](C)C2)CCC1=O 228967608 1169384978 /nfs/dbraw/zinc/38/49/78/1169384978.db2.gz OBHXUQAQIKJJIO-VWYCJHECSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1CN([C@@H]2CC[C@@H](C)C2)CCC1=O 228967632 1169385046 /nfs/dbraw/zinc/38/50/46/1169385046.db2.gz OBHXUQAQIKJJIO-OUAUKWLOSA-N 0 3 195.306 2.086 10 0 AEAEHN Cn1ccnc1Nc1ccccc1 229311574 1169387244 /nfs/dbraw/zinc/38/72/44/1169387244.db2.gz JZAJJHYCUPXUJD-UHFFFAOYSA-N 0 3 173.219 2.164 10 0 AEAEHN CCC[C@H](C)CN1CCC(=O)[C@@H](C)C1 229510935 1169387541 /nfs/dbraw/zinc/38/75/41/1169387541.db2.gz TXWXGQQZUBZVDN-QWRGUYRKSA-N 0 3 197.322 2.334 10 0 AEAEHN CCC[C@@H](C)CN1CCC(=O)[C@@H](C)C1 229510921 1169389875 /nfs/dbraw/zinc/38/98/75/1169389875.db2.gz TXWXGQQZUBZVDN-MNOVXSKESA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1cc(-c2cc(N)ccn2)ccn1 229579241 1169390836 /nfs/dbraw/zinc/39/08/36/1169390836.db2.gz SXSNLFFFXVKDRE-UHFFFAOYSA-N 0 3 185.230 2.034 10 0 AEAEHN CCC[C@H](C)Oc1ccnc(N)c1 230676804 1169401465 /nfs/dbraw/zinc/40/14/65/1169401465.db2.gz UZGPUTDINUJYQB-QMMMGPOBSA-N 0 3 180.251 2.231 10 0 AEAEHN CCC[C@@H](C)Oc1ccnc(N)c1 230676801 1169401577 /nfs/dbraw/zinc/40/15/77/1169401577.db2.gz UZGPUTDINUJYQB-MRVPVSSYSA-N 0 3 180.251 2.231 10 0 AEAEHN CC[C@@H](C)CN1CCC(=O)C[C@H]1C 251716308 1169430790 /nfs/dbraw/zinc/43/07/90/1169430790.db2.gz DOODVFRTMQGVOQ-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](C)CN1CCC(=O)C[C@H]1C 251716309 1169432129 /nfs/dbraw/zinc/43/21/29/1169432129.db2.gz DOODVFRTMQGVOQ-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@@H](C)CN1CCC(=O)[C@H](C)C1 253309995 1169436302 /nfs/dbraw/zinc/43/63/02/1169436302.db2.gz TXWXGQQZUBZVDN-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CC[C@H](N2CCC(=O)C[C@H]2C)C1 253215957 1169437139 /nfs/dbraw/zinc/43/71/39/1169437139.db2.gz CRVVEIOZZIXWTK-MXWKQRLJSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H]1CC[C@@H](N2CCC(=O)C[C@H]2C)C1 253215956 1169437565 /nfs/dbraw/zinc/43/75/65/1169437565.db2.gz CRVVEIOZZIXWTK-GMTAPVOTSA-N 0 3 195.306 2.228 10 0 AEAEHN CCC[C@H](C)CN1CCC(=O)[C@H](C)C1 253309996 1169437798 /nfs/dbraw/zinc/43/77/98/1169437798.db2.gz TXWXGQQZUBZVDN-WDEREUQCSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCCN1CCC(=O)C(C)(C)C1 258942508 1169439937 /nfs/dbraw/zinc/43/99/37/1169439937.db2.gz YFQWOWCAWHSNNX-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN Cc1cc(CN)nn1C1CCCCC1 259702721 1169442498 /nfs/dbraw/zinc/44/24/98/1169442498.db2.gz KKGKRZSFCFLKGY-UHFFFAOYSA-N 0 3 193.294 2.155 10 0 AEAEHN CCOc1ccc(CN(C)C)cc1F 260091048 1169446510 /nfs/dbraw/zinc/44/65/10/1169446510.db2.gz NZNBGXIAMWPAGH-UHFFFAOYSA-N 0 3 197.253 2.286 10 0 AEAEHN CCCC[C@H](C)n1cnc(CN)c1 300719163 1169461836 /nfs/dbraw/zinc/46/18/36/1169461836.db2.gz BGGWOVHEJIODDV-VIFPVBQESA-N 0 3 181.283 2.093 10 0 AEAEHN CCCC[C@@H](C)n1cnc(CN)c1 300719162 1169462185 /nfs/dbraw/zinc/46/21/85/1169462185.db2.gz BGGWOVHEJIODDV-SECBINFHSA-N 0 3 181.283 2.093 10 0 AEAEHN CN(Cc1ccoc1)[C@@H]1CCSC1 306154579 1169464872 /nfs/dbraw/zinc/46/48/72/1169464872.db2.gz JPYDPDBLCZAIEQ-SNVBAGLBSA-N 0 3 197.303 2.217 10 0 AEAEHN Cc1ccc(CN2CCC2)s1 306368427 1169474272 /nfs/dbraw/zinc/47/42/72/1169474272.db2.gz BRCRCEHKLPYFDV-UHFFFAOYSA-N 0 3 167.277 2.262 10 0 AEAEHN Cc1cc2[nH]c([C@@H](C)N)nc2cc1F 306903359 1169490800 /nfs/dbraw/zinc/49/08/00/1169490800.db2.gz IWAOPELOIGVPFB-ZCFIWIBFSA-N 0 3 193.225 2.030 10 0 AEAEHN CC(C)N(C)Cc1ccc(F)nc1 306967772 1169494906 /nfs/dbraw/zinc/49/49/06/1169494906.db2.gz QETDTQSNRDLFHN-UHFFFAOYSA-N 0 3 182.242 2.061 10 0 AEAEHN CCCN1CCC(=O)[C@@H]2CCCC[C@H]21 307217244 1169510657 /nfs/dbraw/zinc/51/06/57/1169510657.db2.gz MPXYRTLWGMMJLO-GHMZBOCLSA-N 0 3 195.306 2.230 10 0 AEAEHN CCCN1CCC(=O)[C@H]2CCCC[C@H]21 307217245 1169511430 /nfs/dbraw/zinc/51/14/30/1169511430.db2.gz MPXYRTLWGMMJLO-WDEREUQCSA-N 0 3 195.306 2.230 10 0 AEAEHN CCN(C)Cc1cc(C)nc(Cl)c1 307578691 1169528190 /nfs/dbraw/zinc/52/81/90/1169528190.db2.gz OFSAQIDIMIQGLJ-UHFFFAOYSA-N 0 3 198.697 2.495 10 0 AEAEHN CN(C)Cc1ccnc(C(C)(C)C)c1 307605097 1169531287 /nfs/dbraw/zinc/53/12/87/1169531287.db2.gz XRGSAXFTPSXYPD-UHFFFAOYSA-N 0 3 192.306 2.441 10 0 AEAEHN CC(C)N(C)Cc1ccc(F)cn1 307659786 1169535355 /nfs/dbraw/zinc/53/53/55/1169535355.db2.gz FJEVORCTAUVXDJ-UHFFFAOYSA-N 0 3 182.242 2.061 10 0 AEAEHN c1coc(CN2CCC[C@H]3C[C@H]32)c1 307750919 1169543115 /nfs/dbraw/zinc/54/31/15/1169543115.db2.gz LTOLOQTUZXQZCF-GXSJLCMTSA-N 0 3 177.247 2.264 10 0 AEAEHN Cc1occc1CNCCC(F)F 321678844 1169556894 /nfs/dbraw/zinc/55/68/94/1169556894.db2.gz YWSXILDGXCQUEL-UHFFFAOYSA-N 0 3 189.205 2.333 10 0 AEAEHN C[C@H](CC(F)(F)F)N(C)C1CC1 379319375 1169567529 /nfs/dbraw/zinc/56/75/29/1169567529.db2.gz QEAOIHCAQXFTKW-ZCFIWIBFSA-N 0 3 181.201 2.422 10 0 AEAEHN C[C@@H](CC(F)(F)F)N(C)C1CC1 379319374 1169569124 /nfs/dbraw/zinc/56/91/24/1169569124.db2.gz QEAOIHCAQXFTKW-LURJTMIESA-N 0 3 181.201 2.422 10 0 AEAEHN CCCN(CCC)Cc1cnoc1 379389851 1169580650 /nfs/dbraw/zinc/58/06/50/1169580650.db2.gz MLIBYFMWECADIT-UHFFFAOYSA-N 0 3 182.267 2.297 10 0 AEAEHN Cc1ccoc1CNCCC(F)F 388223249 1169623686 /nfs/dbraw/zinc/62/36/86/1169623686.db2.gz JGIYHEQTIGMJLE-UHFFFAOYSA-N 0 3 189.205 2.333 10 0 AEAEHN CC(C)CC[C@H](C)N1CCOCC1 388786307 1169632848 /nfs/dbraw/zinc/63/28/48/1169632848.db2.gz KUOHOSIEGWYBOZ-NSHDSACASA-N 0 3 185.311 2.143 10 0 AEAEHN CC(C)CC[C@@H](C)N1CCOCC1 388786305 1169633201 /nfs/dbraw/zinc/63/32/01/1169633201.db2.gz KUOHOSIEGWYBOZ-LLVKDONJSA-N 0 3 185.311 2.143 10 0 AEAEHN CCCn1cncc1CN(CC)CC 389228337 1169636031 /nfs/dbraw/zinc/63/60/31/1169636031.db2.gz RRSGUQGCBRZBAH-UHFFFAOYSA-N 0 3 195.310 2.135 10 0 AEAEHN C1=C[C@@H](NCc2ccns2)CCC1 404359079 1169682988 /nfs/dbraw/zinc/68/29/88/1169682988.db2.gz MXYNWBZJDUNKCO-SECBINFHSA-N 0 3 194.303 2.341 10 0 AEAEHN C1=C[C@H](NCc2ccns2)CCC1 404359082 1169683064 /nfs/dbraw/zinc/68/30/64/1169683064.db2.gz MXYNWBZJDUNKCO-VIFPVBQESA-N 0 3 194.303 2.341 10 0 AEAEHN CO[C@@H](C)CNc1cc(C)cc(C)n1 708050623 1169716904 /nfs/dbraw/zinc/71/69/04/1169716904.db2.gz SDRPTHLSQVNURI-JTQLQIEISA-N 0 3 194.278 2.145 10 0 AEAEHN Cc1cc(C)nc(NC2CSC2)c1 707900626 1169718628 /nfs/dbraw/zinc/71/86/28/1169718628.db2.gz XUGZAHDTMUAPRP-UHFFFAOYSA-N 0 3 194.303 2.226 10 0 AEAEHN CC(C)[C@@H]1CCCN1Cc1ncc[nH]1 709035433 1169723740 /nfs/dbraw/zinc/72/37/40/1169723740.db2.gz HSHHGEPTAFMJHQ-JTQLQIEISA-N 0 3 193.294 2.030 10 0 AEAEHN CC(C)[C@H]1CCCN1Cc1ncc[nH]1 709035434 1169725712 /nfs/dbraw/zinc/72/57/12/1169725712.db2.gz HSHHGEPTAFMJHQ-SNVBAGLBSA-N 0 3 193.294 2.030 10 0 AEAEHN CCC(CC)Nc1ccc(CN)nc1 709788898 1169727327 /nfs/dbraw/zinc/72/73/27/1169727327.db2.gz XIQPBKMHUPQAHJ-UHFFFAOYSA-N 0 3 193.294 2.141 10 0 AEAEHN CC1(NCc2cnsc2)CC=CC1 712851879 1169732332 /nfs/dbraw/zinc/73/23/32/1169732332.db2.gz LJCRIAVRFMGHCD-UHFFFAOYSA-N 0 3 194.303 2.341 10 0 AEAEHN C[C@H](Oc1ccnc(N)c1)C1CCC1 719790405 1169755188 /nfs/dbraw/zinc/75/51/88/1169755188.db2.gz YKZGQUKTRCGNTK-QMMMGPOBSA-N 0 3 192.262 2.231 10 0 AEAEHN C[C@@H](Oc1ccnc(N)c1)C1CCC1 719790199 1169756011 /nfs/dbraw/zinc/75/60/11/1169756011.db2.gz YKZGQUKTRCGNTK-MRVPVSSYSA-N 0 3 192.262 2.231 10 0 AEAEHN C[C@@H]1CC[C@@H](Oc2ccnc(N)c2)C1 721540204 1169761555 /nfs/dbraw/zinc/76/15/55/1169761555.db2.gz YNYURJWJLHFJJZ-RKDXNWHRSA-N 0 3 192.262 2.231 10 0 AEAEHN C[C@H]1CC[C@@H](Oc2ccnc(N)c2)C1 721540197 1169762291 /nfs/dbraw/zinc/76/22/91/1169762291.db2.gz YNYURJWJLHFJJZ-DTWKUNHWSA-N 0 3 192.262 2.231 10 0 AEAEHN C[C@H]1CC[C@H](Oc2ccnc(N)c2)C1 721540200 1169762311 /nfs/dbraw/zinc/76/23/11/1169762311.db2.gz YNYURJWJLHFJJZ-IUCAKERBSA-N 0 3 192.262 2.231 10 0 AEAEHN C[C@@H]1CC[C@H](Oc2ccnc(N)c2)C1 721540193 1169762652 /nfs/dbraw/zinc/76/26/52/1169762652.db2.gz YNYURJWJLHFJJZ-BDAKNGLRSA-N 0 3 192.262 2.231 10 0 AEAEHN CCC(CC)Oc1ccnc(N)c1 721628196 1169764934 /nfs/dbraw/zinc/76/49/34/1169764934.db2.gz HQLJQYSNNPLZQT-UHFFFAOYSA-N 0 3 180.251 2.231 10 0 AEAEHN CC(=O)CN(C)C1CCC2(CC1)CC2 723413104 1169768820 /nfs/dbraw/zinc/76/88/20/1169768820.db2.gz DKOYZYLTWGJPMI-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H]1C[C@H](C)CCN1Cc1c[nH]cn1 724776007 1169771618 /nfs/dbraw/zinc/77/16/18/1169771618.db2.gz SCBPBNXRPGKXBF-ZJUUUORDSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CCN(Cc2c[nH]cn2)[C@H](C)C1 724776006 1169772391 /nfs/dbraw/zinc/77/23/91/1169772391.db2.gz SCBPBNXRPGKXBF-VHSXEESVSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CCN(Cc2c[nH]cn2)[C@@H](C)C1 724776005 1169772467 /nfs/dbraw/zinc/77/24/67/1169772467.db2.gz SCBPBNXRPGKXBF-UWVGGRQHSA-N 0 3 193.294 2.030 10 0 AEAEHN Cc1nc(CN(C)C2CCCC2)c[nH]1 724777826 1169772930 /nfs/dbraw/zinc/77/29/30/1169772930.db2.gz ITBOESQTSKPJGL-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN Cc1nc(CN(C)CC(C)(C)C)c[nH]1 724780563 1169774021 /nfs/dbraw/zinc/77/40/21/1169774021.db2.gz ABCQHEPUUFGIHE-UHFFFAOYSA-N 0 3 195.310 2.196 10 0 AEAEHN CCCCN(CC)Cc1c[nH]c(C)n1 724780959 1169774398 /nfs/dbraw/zinc/77/43/98/1169774398.db2.gz VWJNIPFIBQJEFK-UHFFFAOYSA-N 0 3 195.310 2.340 10 0 AEAEHN Cc1nc(CN2CCCC[C@H]2C)c[nH]1 724777626 1169774809 /nfs/dbraw/zinc/77/48/09/1169774809.db2.gz CZTZZBBVMOQBOI-SECBINFHSA-N 0 3 193.294 2.093 10 0 AEAEHN CCCCCN(C)Cc1c[nH]c(C)n1 724780849 1169775117 /nfs/dbraw/zinc/77/51/17/1169775117.db2.gz QDYISBDNXPSFRI-UHFFFAOYSA-N 0 3 195.310 2.340 10 0 AEAEHN Cc1nc(CN2CCCC[C@@H]2C)c[nH]1 724777628 1169775221 /nfs/dbraw/zinc/77/52/21/1169775221.db2.gz CZTZZBBVMOQBOI-VIFPVBQESA-N 0 3 193.294 2.093 10 0 AEAEHN Cc1cc(CN2CC=CC2)cs1 1248801317 1169840980 /nfs/dbraw/zinc/84/09/80/1169840980.db2.gz KRTOSMZZSBPDLS-UHFFFAOYSA-N 0 3 179.288 2.428 10 0 AEAEHN CC(C)CC[C@H](C)N1C[C@@H]2C[C@H]1CO2 1256370243 1169968122 /nfs/dbraw/zinc/96/81/22/1169968122.db2.gz GNGWFEMVDDEALJ-SRVKXCTJSA-N 0 3 197.322 2.284 10 0 AEAEHN CC(C)CC[C@@H](C)N1C[C@@H]2C[C@H]1CO2 1256370244 1169968211 /nfs/dbraw/zinc/96/82/11/1169968211.db2.gz GNGWFEMVDDEALJ-WOPDTQHZSA-N 0 3 197.322 2.284 10 0 AEAEHN CC(C)CC[C@@H](C)N(C)C1COC1 1256370562 1169968658 /nfs/dbraw/zinc/96/86/58/1169968658.db2.gz JIABTWZMWIMGBL-SNVBAGLBSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)CC[C@H](C)N(C)C1COC1 1256370560 1169969230 /nfs/dbraw/zinc/96/92/30/1169969230.db2.gz JIABTWZMWIMGBL-JTQLQIEISA-N 0 3 185.311 2.142 10 0 AEAEHN CCC(CC)N1CC2(CCCO2)C1 1257295778 1169991933 /nfs/dbraw/zinc/99/19/33/1169991933.db2.gz DZKAQVBJOHWGDL-UHFFFAOYSA-N 0 3 183.295 2.040 10 0 AEAEHN CCCOC1CN(C(CC)CC)C1 1257300572 1169993258 /nfs/dbraw/zinc/99/32/58/1169993258.db2.gz XGSBJYPPDJKLHO-UHFFFAOYSA-N 0 3 185.311 2.286 10 0 AEAEHN CCC(CC)N1CC(OC(C)C)C1 1257303875 1169995582 /nfs/dbraw/zinc/99/55/82/1169995582.db2.gz UWVYVAOCHPAXJT-UHFFFAOYSA-N 0 3 185.311 2.284 10 0 AEAEHN Fc1ccc(CN2C[C@H]3C[C@H]3C2)cc1 204521603 566278898 /nfs/dbraw/zinc/27/88/98/566278898.db2.gz GFLDAEGDYREGPQ-PHIMTYICSA-N 0 3 191.249 2.277 10 0 AEAEHN C[C@H](CC1CC1)N1CC2(CCCO2)C1 1258466362 1170076290 /nfs/dbraw/zinc/07/62/90/1170076290.db2.gz WKJLGWJSFBHNDQ-SNVBAGLBSA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@@H](CC1CC1)N1CC2(CCCO2)C1 1258466361 1170077646 /nfs/dbraw/zinc/07/76/46/1170077646.db2.gz WKJLGWJSFBHNDQ-JTQLQIEISA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@H](CC1CC1)N1CCOCC12CC2 1258474812 1170079224 /nfs/dbraw/zinc/07/92/24/1170079224.db2.gz YAQVWWBHXQFUST-SNVBAGLBSA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@@H](CC1CC1)N1CCOCC12CC2 1258474811 1170080673 /nfs/dbraw/zinc/08/06/73/1170080673.db2.gz YAQVWWBHXQFUST-JTQLQIEISA-N 0 3 195.306 2.040 10 0 AEAEHN CN(Cc1ccnc(F)c1)C1CCC1 1261794246 1170120068 /nfs/dbraw/zinc/12/00/68/1170120068.db2.gz IVKAXSDRNSZMDU-UHFFFAOYSA-N 0 3 194.253 2.205 10 0 AEAEHN CCN(Cc1n[nH]cc1C)C(C)(C)C 1262034098 1170122638 /nfs/dbraw/zinc/12/26/38/1170122638.db2.gz SAJBNAOKODYJSG-UHFFFAOYSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H]1CCN(Cc2ccon2)[C@H]1C 1307701243 1170183181 /nfs/dbraw/zinc/18/31/81/1170183181.db2.gz CNCQBOWEYAARLZ-UWVGGRQHSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1CCN(Cc2ccon2)[C@@H]1C 1307701242 1170183578 /nfs/dbraw/zinc/18/35/78/1170183578.db2.gz CNCQBOWEYAARLZ-NXEZZACHSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1CCN(Cc2ccon2)[C@H]1C 1307701244 1170183617 /nfs/dbraw/zinc/18/36/17/1170183617.db2.gz CNCQBOWEYAARLZ-VHSXEESVSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1CCN(Cc2ccon2)[C@@H]1C 1307701245 1170184597 /nfs/dbraw/zinc/18/45/97/1170184597.db2.gz CNCQBOWEYAARLZ-ZJUUUORDSA-N 0 3 194.278 2.295 10 0 AEAEHN CCN(C)Cc1cccn1C1CC1 1327938067 1170258333 /nfs/dbraw/zinc/25/83/33/1170258333.db2.gz DZESTRANMXWMIB-UHFFFAOYSA-N 0 3 178.279 2.275 10 0 AEAEHN CCN[C@H](C)c1cc(O)ccc1F 1329689453 1170270748 /nfs/dbraw/zinc/27/07/48/1170270748.db2.gz HORKGQUYPTXVNC-SSDOTTSWSA-N 0 3 183.226 2.202 10 0 AEAEHN CCN[C@@H](C)c1cc(O)ccc1F 1329689455 1170272713 /nfs/dbraw/zinc/27/27/13/1170272713.db2.gz HORKGQUYPTXVNC-ZETCQYMHSA-N 0 3 183.226 2.202 10 0 AEAEHN CC[NH2+][C@H](C)c1cccc([O-])c1F 1330066866 1170277620 /nfs/dbraw/zinc/27/76/20/1170277620.db2.gz GNDGAMCLPUNIGN-SSDOTTSWSA-N 0 3 183.226 2.202 10 0 AEAEHN CC[NH2+][C@@H](C)c1cccc([O-])c1F 1330066868 1170278199 /nfs/dbraw/zinc/27/81/99/1170278199.db2.gz GNDGAMCLPUNIGN-ZETCQYMHSA-N 0 3 183.226 2.202 10 0 AEAEHN CC[NH2+][C@H](C)c1cc([O-])cc(F)c1 1332832070 1170312672 /nfs/dbraw/zinc/31/26/72/1170312672.db2.gz BITZWCRFRBMWJI-SSDOTTSWSA-N 0 3 183.226 2.202 10 0 AEAEHN CC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 1332832071 1170313941 /nfs/dbraw/zinc/31/39/41/1170313941.db2.gz BITZWCRFRBMWJI-ZETCQYMHSA-N 0 3 183.226 2.202 10 0 AEAEHN Cc1n[nH]c(C)c1CN1CCC1(C)C 1341567092 1170438656 /nfs/dbraw/zinc/43/86/56/1170438656.db2.gz CPARGXDESXBUHV-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN C[C@]12CCCC[C@H]1CN2CCF 1351493308 1170528298 /nfs/dbraw/zinc/52/82/98/1170528298.db2.gz BJNYWIMHQSOLGK-UWVGGRQHSA-N 0 3 171.259 2.220 10 0 AEAEHN Cc1nocc1CN(C)CC1CCC1 1460885164 1170579062 /nfs/dbraw/zinc/57/90/62/1170579062.db2.gz ABOHICXDPKTUJN-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN CCN1CCCC[C@@H]1c1cc(C)n[nH]1 1560173684 1170660499 /nfs/dbraw/zinc/66/04/99/1170660499.db2.gz NIVNHYUIPFPBGM-LLVKDONJSA-N 0 3 193.294 2.265 10 0 AEAEHN CCN1CCCC[C@@H]1c1cc(C)[nH]n1 1560173684 1170660502 /nfs/dbraw/zinc/66/05/02/1170660502.db2.gz NIVNHYUIPFPBGM-LLVKDONJSA-N 0 3 193.294 2.265 10 0 AEAEHN CCN1CCCC[C@H]1c1cc(C)n[nH]1 1560173689 1170660867 /nfs/dbraw/zinc/66/08/67/1170660867.db2.gz NIVNHYUIPFPBGM-NSHDSACASA-N 0 3 193.294 2.265 10 0 AEAEHN CCN1CCCC[C@H]1c1cc(C)[nH]n1 1560173689 1170660870 /nfs/dbraw/zinc/66/08/70/1170660870.db2.gz NIVNHYUIPFPBGM-NSHDSACASA-N 0 3 193.294 2.265 10 0 AEAEHN CCC[C@H]1CCCN1Cc1cc[nH]n1 1620643809 1170822172 /nfs/dbraw/zinc/82/21/72/1170822172.db2.gz RDCYXEDCXGFVKE-NSHDSACASA-N 0 3 193.294 2.174 10 0 AEAEHN CCC[C@@H]1CCCN1Cc1cc[nH]n1 1620643808 1170824275 /nfs/dbraw/zinc/82/42/75/1170824275.db2.gz RDCYXEDCXGFVKE-LLVKDONJSA-N 0 3 193.294 2.174 10 0 AEAEHN CCCCN(CC1=NOCC1)C1CC1 1656980791 1170926979 /nfs/dbraw/zinc/92/69/79/1170926979.db2.gz CZLVLIWDTUIZHJ-UHFFFAOYSA-N 0 3 196.294 2.027 10 0 AEAEHN c1nscc1CN[C@H]1[C@H]2CCC[C@H]21 1657748086 1170928588 /nfs/dbraw/zinc/92/85/88/1170928588.db2.gz KGOYXQLPENFLFS-ILWJIGKKSA-N 0 3 194.303 2.031 10 0 AEAEHN c1nscc1CN[C@@H]1[C@H]2CCC[C@H]21 1657748087 1170930383 /nfs/dbraw/zinc/93/03/83/1170930383.db2.gz KGOYXQLPENFLFS-MYJAWHEDSA-N 0 3 194.303 2.031 10 0 AEAEHN C[C@@H](N)c1cc(OC(C)(C)C)ccn1 213794881 571672304 /nfs/dbraw/zinc/67/23/04/571672304.db2.gz NZASXHKAZQKKEL-MRVPVSSYSA-N 0 3 194.278 2.279 10 0 AEAEHN C[C@H](N)c1cc(OC(C)(C)C)ccn1 213794828 571672416 /nfs/dbraw/zinc/67/24/16/571672416.db2.gz NZASXHKAZQKKEL-QMMMGPOBSA-N 0 3 194.278 2.279 10 0 AEAEHN C[C@H](N)c1cnccc1OC(C)(C)C 213794964 571672555 /nfs/dbraw/zinc/67/25/55/571672555.db2.gz WCKAGOJCTAOPHI-QMMMGPOBSA-N 0 3 194.278 2.279 10 0 AEAEHN C[C@@H](N)c1cnccc1OC(C)(C)C 213795015 571673280 /nfs/dbraw/zinc/67/32/80/571673280.db2.gz WCKAGOJCTAOPHI-MRVPVSSYSA-N 0 3 194.278 2.279 10 0 AEAEHN C[C@@H](NC[C@@H]1CC1(C)C)c1cc[nH]n1 235219512 571674087 /nfs/dbraw/zinc/67/40/87/571674087.db2.gz HZTVGEQVJTUXOI-BDAKNGLRSA-N 0 3 193.294 2.106 10 0 AEAEHN COc1cc(C)c(OC)c([C@H](C)N)c1 213866585 571678799 /nfs/dbraw/zinc/67/87/99/571678799.db2.gz ASNICKBZWPNLLI-QMMMGPOBSA-N 0 3 195.262 2.032 10 0 AEAEHN COc1cc(C)c(OC)c([C@@H](C)N)c1 213866526 571679252 /nfs/dbraw/zinc/67/92/52/571679252.db2.gz ASNICKBZWPNLLI-MRVPVSSYSA-N 0 3 195.262 2.032 10 0 AEAEHN COc1ccc(OC)c([C@@H](C)N)c1C 213869685 571681879 /nfs/dbraw/zinc/68/18/79/571681879.db2.gz GPSZXHHETSDRQL-MRVPVSSYSA-N 0 3 195.262 2.032 10 0 AEAEHN C/C=C/COCc1occc1CNC 52594523 571681178 /nfs/dbraw/zinc/68/11/78/571681178.db2.gz CJZPYTUXEYTRMX-ONEGZZNKSA-N 0 3 195.262 2.092 10 0 AEAEHN COc1ccc(OC)c([C@H](C)N)c1C 213869746 571681458 /nfs/dbraw/zinc/68/14/58/571681458.db2.gz GPSZXHHETSDRQL-QMMMGPOBSA-N 0 3 195.262 2.032 10 0 AEAEHN C/C=C/COCc1ccc(CNC)o1 52594559 571682639 /nfs/dbraw/zinc/68/26/39/571682639.db2.gz CGQMXNPERJPZMX-ONEGZZNKSA-N 0 3 195.262 2.092 10 0 AEAEHN C/C=C/COCc1cc(CN)c(C)o1 52594607 571683622 /nfs/dbraw/zinc/68/36/22/571683622.db2.gz AEACYBKISJTAIL-ONEGZZNKSA-N 0 3 195.262 2.139 10 0 AEAEHN CC(=O)CC[C@@H]1C[C@@]12CCCN(C)C2 213891096 571686181 /nfs/dbraw/zinc/68/61/81/571686181.db2.gz LBMWEMNQSZCNBF-VXGBXAGGSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CC[C@H]1C[C@]12CCCN(C)C2 213891932 571686405 /nfs/dbraw/zinc/68/64/05/571686405.db2.gz LBMWEMNQSZCNBF-RYUDHWBXSA-N 0 3 195.306 2.088 10 0 AEAEHN CCOCC[C@@H](N)c1cccs1 53790470 571686620 /nfs/dbraw/zinc/68/66/20/571686620.db2.gz CLDPEMKRKRUOIW-MRVPVSSYSA-N 0 3 185.292 2.175 10 0 AEAEHN CC(=O)CC[C@H]1C[C@@]12CCCN(C)C2 213891830 571687108 /nfs/dbraw/zinc/68/71/08/571687108.db2.gz LBMWEMNQSZCNBF-NWDGAFQWSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CC[C@@H]1CC12CCN(C)CC2 213890929 571687229 /nfs/dbraw/zinc/68/72/29/571687229.db2.gz IQEZBQRVVSSALG-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN CC1(C)Oc2c(CN)cccc2S1 213889865 571687531 /nfs/dbraw/zinc/68/75/31/571687531.db2.gz MOWLRVDWZRNTMS-UHFFFAOYSA-N 0 3 195.287 2.366 10 0 AEAEHN CCC[C@@H]1CCCN(CC(C)=O)CC1 70613902 571687693 /nfs/dbraw/zinc/68/76/93/571687693.db2.gz GQTGATODJUZHKM-GFCCVEGCSA-N 0 3 197.322 2.478 10 0 AEAEHN CCOCC[C@H](N)c1cccs1 53790468 571688020 /nfs/dbraw/zinc/68/80/20/571688020.db2.gz CLDPEMKRKRUOIW-QMMMGPOBSA-N 0 3 185.292 2.175 10 0 AEAEHN CC(=O)CC[C@@H]1C[C@]12CCCN(C)C2 213891863 571688116 /nfs/dbraw/zinc/68/81/16/571688116.db2.gz LBMWEMNQSZCNBF-NEPJUHHUSA-N 0 3 195.306 2.088 10 0 AEAEHN CCC1=NO[C@H](CN(C)[C@H](C)CC)C1 687715584 571688700 /nfs/dbraw/zinc/68/87/00/571688700.db2.gz FRLVKYKOLFWARJ-KOLCDFICSA-N 0 3 198.310 2.272 10 0 AEAEHN C[C@H](N)c1nc2ccccn2c1Cl 213905102 571688744 /nfs/dbraw/zinc/68/87/44/571688744.db2.gz USLRGJFKHLSWLV-LURJTMIESA-N 0 3 195.653 2.007 10 0 AEAEHN CCC1=NO[C@H](CN(C)[C@@H](C)CC)C1 687715586 571688752 /nfs/dbraw/zinc/68/87/52/571688752.db2.gz FRLVKYKOLFWARJ-ONGXEEELSA-N 0 3 198.310 2.272 10 0 AEAEHN C[C@H](c1ccco1)N(C)CC(C)(C)O 687715297 571688764 /nfs/dbraw/zinc/68/87/64/571688764.db2.gz AFDQOISUTNCFQY-SECBINFHSA-N 0 3 197.278 2.043 10 0 AEAEHN CCC1=NO[C@@H](CN(C)[C@H](C)CC)C1 687715585 571689130 /nfs/dbraw/zinc/68/91/30/571689130.db2.gz FRLVKYKOLFWARJ-MWLCHTKSSA-N 0 3 198.310 2.272 10 0 AEAEHN CCC[C@H]1CCCN(CC(C)=O)CC1 70613903 571689161 /nfs/dbraw/zinc/68/91/61/571689161.db2.gz GQTGATODJUZHKM-LBPRGKRZSA-N 0 3 197.322 2.478 10 0 AEAEHN CCC1=NO[C@@H](CN(C)[C@@H](C)CC)C1 687715581 571689212 /nfs/dbraw/zinc/68/92/12/571689212.db2.gz FRLVKYKOLFWARJ-GXSJLCMTSA-N 0 3 198.310 2.272 10 0 AEAEHN C[C@@H](c1ccco1)N(C)CC(C)(C)O 687715298 571689255 /nfs/dbraw/zinc/68/92/55/571689255.db2.gz AFDQOISUTNCFQY-VIFPVBQESA-N 0 3 197.278 2.043 10 0 AEAEHN CCC(=O)CN1CCC[C@@H](CC)CC1 70613860 571689650 /nfs/dbraw/zinc/68/96/50/571689650.db2.gz ALNPHMRBQBXFHX-LLVKDONJSA-N 0 3 197.322 2.478 10 0 AEAEHN C[C@@H](N)c1nc2ccccn2c1Cl 213905131 571690048 /nfs/dbraw/zinc/69/00/48/571690048.db2.gz USLRGJFKHLSWLV-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN CCC[C@@H](NC)c1cc(C)ccn1 70558298 571690087 /nfs/dbraw/zinc/69/00/87/571690087.db2.gz FOQYBMZHUZUWOZ-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CCC(=O)CN1CCC[C@H](CC)CC1 70613861 571690363 /nfs/dbraw/zinc/69/03/63/571690363.db2.gz ALNPHMRBQBXFHX-NSHDSACASA-N 0 3 197.322 2.478 10 0 AEAEHN CCCN[C@@H](CCC)c1ccncn1 70559215 571691633 /nfs/dbraw/zinc/69/16/33/571691633.db2.gz QANAJSOTRDWLEG-JTQLQIEISA-N 0 3 193.294 2.317 10 0 AEAEHN Cc1nc[nH]c1CN1CCCC1(C)C 687716191 571690783 /nfs/dbraw/zinc/69/07/83/571690783.db2.gz QHDSRYZUVQDYPZ-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN CCCN[C@H](CCC)c1ccncn1 70559216 571690958 /nfs/dbraw/zinc/69/09/58/571690958.db2.gz QANAJSOTRDWLEG-SNVBAGLBSA-N 0 3 193.294 2.317 10 0 AEAEHN CC(C)N(C)[C@@H](CN)c1cccs1 22221962 571694545 /nfs/dbraw/zinc/69/45/45/571694545.db2.gz DSIMDQORMDJLQX-VIFPVBQESA-N 0 3 198.335 2.088 10 0 AEAEHN C[C@H](F)CCNc1ccccc1CN 213957844 571695485 /nfs/dbraw/zinc/69/54/85/571695485.db2.gz BLKOVMKHUJATHT-VIFPVBQESA-N 0 3 196.269 2.305 10 0 AEAEHN C[C@@H](F)CCNc1ccccc1CN 213957909 571696204 /nfs/dbraw/zinc/69/62/04/571696204.db2.gz BLKOVMKHUJATHT-SECBINFHSA-N 0 3 196.269 2.305 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1ccc(C)cc1 22564937 571696893 /nfs/dbraw/zinc/69/68/93/571696893.db2.gz PQYHJLALWUCFKN-CMPLNLGQSA-N 0 3 193.290 2.420 10 0 AEAEHN CCN[C@@H](c1ccoc1)C1CC1 70621608 571697124 /nfs/dbraw/zinc/69/71/24/571697124.db2.gz YUKULEWMDBHORG-SNVBAGLBSA-N 0 3 165.236 2.340 10 0 AEAEHN CCN[C@H](c1ccoc1)C1CC1 70621609 571697347 /nfs/dbraw/zinc/69/73/47/571697347.db2.gz YUKULEWMDBHORG-JTQLQIEISA-N 0 3 165.236 2.340 10 0 AEAEHN C[C@@H]1NCCc2c(N)ccc(Cl)c21 213990071 571697549 /nfs/dbraw/zinc/69/75/49/571697549.db2.gz RLWSNLXDEGVIOY-LURJTMIESA-N 0 3 196.681 2.129 10 0 AEAEHN Clc1cc2c(o1)C1(CCC1)CNC2 214072240 571697968 /nfs/dbraw/zinc/69/79/68/571697968.db2.gz NXBYOHKXIYHNAY-UHFFFAOYSA-N 0 3 197.665 2.458 10 0 AEAEHN C[C@H]1NCCc2c(Cl)ccc(N)c21 213989867 571698130 /nfs/dbraw/zinc/69/81/30/571698130.db2.gz HXUPJJXFANCGKZ-ZCFIWIBFSA-N 0 3 196.681 2.129 10 0 AEAEHN C[C@@H]1NCCc2ccc(Cl)c(N)c21 213990628 571698167 /nfs/dbraw/zinc/69/81/67/571698167.db2.gz LTMXTCSIKFRJCY-LURJTMIESA-N 0 3 196.681 2.129 10 0 AEAEHN C[C@H]1NCCc2ccc(N)c(Cl)c21 213990440 571698252 /nfs/dbraw/zinc/69/82/52/571698252.db2.gz ABRGHMXYPNLSFZ-ZCFIWIBFSA-N 0 3 196.681 2.129 10 0 AEAEHN CC(C)C(=O)[C@H]1CCCCCN1C 213989008 571698270 /nfs/dbraw/zinc/69/82/70/571698270.db2.gz MIVMUNWGDVDNMX-SNVBAGLBSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@H]1NCCc2c(N)ccc(Cl)c21 213990014 571699145 /nfs/dbraw/zinc/69/91/45/571699145.db2.gz RLWSNLXDEGVIOY-ZCFIWIBFSA-N 0 3 196.681 2.129 10 0 AEAEHN Nc1ccc(Cl)c(CNC2CC2)c1 213992257 571699431 /nfs/dbraw/zinc/69/94/31/571699431.db2.gz PTOLNGAWWICSOZ-UHFFFAOYSA-N 0 3 196.681 2.174 10 0 AEAEHN C[C@@H]1NCCc2c(Cl)ccc(N)c21 213989923 571699671 /nfs/dbraw/zinc/69/96/71/571699671.db2.gz HXUPJJXFANCGKZ-LURJTMIESA-N 0 3 196.681 2.129 10 0 AEAEHN C[C@@H]1NCCc2ccc(N)c(Cl)c21 213990490 571699804 /nfs/dbraw/zinc/69/98/04/571699804.db2.gz ABRGHMXYPNLSFZ-LURJTMIESA-N 0 3 196.681 2.129 10 0 AEAEHN CN[C@H](c1ncccc1OC)C(C)C 234408013 571700266 /nfs/dbraw/zinc/70/02/66/571700266.db2.gz LPYJYDANHCBMCN-JTQLQIEISA-N 0 3 194.278 2.007 10 0 AEAEHN CC[C@](N)(COC)c1ccccc1F 70624046 571701303 /nfs/dbraw/zinc/70/13/03/571701303.db2.gz SJECSVZHLYPBFP-NSHDSACASA-N 0 3 197.253 2.036 10 0 AEAEHN CCC[C@H](COC)NCc1ccoc1 70625355 571701317 /nfs/dbraw/zinc/70/13/17/571701317.db2.gz ODUNOCRMAUQMDY-LLVKDONJSA-N 0 3 197.278 2.184 10 0 AEAEHN CC[C@@](N)(COC)c1cccc(F)c1 70624041 571701931 /nfs/dbraw/zinc/70/19/31/571701931.db2.gz YNACDBISTWOZOS-LLVKDONJSA-N 0 3 197.253 2.036 10 0 AEAEHN CCC[C@@H](COC)NCc1ccco1 70625336 571702047 /nfs/dbraw/zinc/70/20/47/571702047.db2.gz WDNJUQCWPIGUGV-JTQLQIEISA-N 0 3 197.278 2.184 10 0 AEAEHN CCC[C@H](COC)NCc1ccco1 70625337 571702399 /nfs/dbraw/zinc/70/23/99/571702399.db2.gz WDNJUQCWPIGUGV-SNVBAGLBSA-N 0 3 197.278 2.184 10 0 AEAEHN CCC[C@@H](COC)NCc1ccoc1 70625354 571702580 /nfs/dbraw/zinc/70/25/80/571702580.db2.gz ODUNOCRMAUQMDY-NSHDSACASA-N 0 3 197.278 2.184 10 0 AEAEHN CC[C@](N)(COC)c1cccc(F)c1 70624042 571702700 /nfs/dbraw/zinc/70/27/00/571702700.db2.gz YNACDBISTWOZOS-NSHDSACASA-N 0 3 197.253 2.036 10 0 AEAEHN CC[C@@](N)(COC)c1ccccc1F 70624045 571702779 /nfs/dbraw/zinc/70/27/79/571702779.db2.gz SJECSVZHLYPBFP-LLVKDONJSA-N 0 3 197.253 2.036 10 0 AEAEHN CCc1c(CNC)cc(F)cc1OC 214029694 571704476 /nfs/dbraw/zinc/70/44/76/571704476.db2.gz QFXPOJIOFHIQLL-UHFFFAOYSA-N 0 3 197.253 2.116 10 0 AEAEHN CCc1csc(CNCC2CC2)n1 70627147 571704788 /nfs/dbraw/zinc/70/47/88/571704788.db2.gz WSJRCJZSXPATOQ-UHFFFAOYSA-N 0 3 196.319 2.205 10 0 AEAEHN CNCc1c(OC)cccc1[C@H](C)F 214037462 571705874 /nfs/dbraw/zinc/70/58/74/571705874.db2.gz ZCTQDFRUUWQSKS-QMMMGPOBSA-N 0 3 197.253 2.445 10 0 AEAEHN C[C@H](F)CCOc1ccccc1CN 214045067 571707168 /nfs/dbraw/zinc/70/71/68/571707168.db2.gz ZSXBHXRKFRCNNC-VIFPVBQESA-N 0 3 197.253 2.272 10 0 AEAEHN CN[C@@H](C)c1cccc(CF)c1OC 214040022 571705619 /nfs/dbraw/zinc/70/56/19/571705619.db2.gz DLDSHZLNGDHAEQ-QMMMGPOBSA-N 0 3 197.253 2.445 10 0 AEAEHN CNCc1cc([C@H](C)F)ccc1OC 214042453 571705858 /nfs/dbraw/zinc/70/58/58/571705858.db2.gz RTVOIMKMLTWMEB-QMMMGPOBSA-N 0 3 197.253 2.445 10 0 AEAEHN CNCc1c(OC)cccc1[C@@H](C)F 214037526 571705902 /nfs/dbraw/zinc/70/59/02/571705902.db2.gz ZCTQDFRUUWQSKS-MRVPVSSYSA-N 0 3 197.253 2.445 10 0 AEAEHN CC(C)(C)O[C@](C)(CN)c1ccco1 214050708 571705942 /nfs/dbraw/zinc/70/59/42/571705942.db2.gz WIDCCABISOAZMB-LLVKDONJSA-N 0 3 197.278 2.269 10 0 AEAEHN Cc1ccc([C@](C)(CN)OC(C)C)o1 214050558 571706038 /nfs/dbraw/zinc/70/60/38/571706038.db2.gz GHEVXKBIUSHLBI-NSHDSACASA-N 0 3 197.278 2.187 10 0 AEAEHN CNCc1cccc([C@@H](C)F)c1OC 214040492 571707104 /nfs/dbraw/zinc/70/71/04/571707104.db2.gz WJHWAHUCTGPMQK-MRVPVSSYSA-N 0 3 197.253 2.445 10 0 AEAEHN Cc1ccc([C@@](C)(CN)OC(C)C)o1 214050489 571706212 /nfs/dbraw/zinc/70/62/12/571706212.db2.gz GHEVXKBIUSHLBI-LLVKDONJSA-N 0 3 197.278 2.187 10 0 AEAEHN CCC[C@H](C)Cn1cc(CN)c(C)n1 70630924 571706265 /nfs/dbraw/zinc/70/62/65/571706265.db2.gz RJVDAJMEXIGARU-VIFPVBQESA-N 0 3 195.310 2.086 10 0 AEAEHN CCCCCCn1cc(CN)c(C)n1 70630918 571706351 /nfs/dbraw/zinc/70/63/51/571706351.db2.gz AKTFQTBTDSPALQ-UHFFFAOYSA-N 0 3 195.310 2.231 10 0 AEAEHN Cc1c(CN)cnn1CCC(C)(C)C 70630872 571706472 /nfs/dbraw/zinc/70/64/72/571706472.db2.gz QDBFTYPXJMMDFH-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN CNCc1cc([C@@H](C)F)ccc1OC 214042510 571706546 /nfs/dbraw/zinc/70/65/46/571706546.db2.gz RTVOIMKMLTWMEB-MRVPVSSYSA-N 0 3 197.253 2.445 10 0 AEAEHN CNCc1cccc([C@H](C)F)c1OC 214040433 571706644 /nfs/dbraw/zinc/70/66/44/571706644.db2.gz WJHWAHUCTGPMQK-QMMMGPOBSA-N 0 3 197.253 2.445 10 0 AEAEHN CC(C)(F)COc1ccccc1CN 214044865 571706688 /nfs/dbraw/zinc/70/66/88/571706688.db2.gz UBUZJCSMTNCJAN-UHFFFAOYSA-N 0 3 197.253 2.272 10 0 AEAEHN CN[C@H](C)c1cccc(CF)c1OC 214040085 571706834 /nfs/dbraw/zinc/70/68/34/571706834.db2.gz DLDSHZLNGDHAEQ-MRVPVSSYSA-N 0 3 197.253 2.445 10 0 AEAEHN CCCn1cc(CNC(C)C)c(C)n1 70631387 571706862 /nfs/dbraw/zinc/70/68/62/571706862.db2.gz ZJDXSMZORAFUGX-UHFFFAOYSA-N 0 3 195.310 2.100 10 0 AEAEHN CCC[C@H](C)Cn1ncc(CN)c1C 70630879 571706929 /nfs/dbraw/zinc/70/69/29/571706929.db2.gz KBCCJHXCOLSFQM-VIFPVBQESA-N 0 3 195.310 2.086 10 0 AEAEHN CCCCCCn1ncc(CN)c1C 70630875 571706853 /nfs/dbraw/zinc/70/68/53/571706853.db2.gz IQHNRUKBOVGWBY-UHFFFAOYSA-N 0 3 195.310 2.231 10 0 AEAEHN CCC[C@@H](C)Cn1cc(CN)c(C)n1 70630923 571707040 /nfs/dbraw/zinc/70/70/40/571707040.db2.gz RJVDAJMEXIGARU-SECBINFHSA-N 0 3 195.310 2.086 10 0 AEAEHN C[C@@H](F)CCOc1ccccc1CN 214045126 571707239 /nfs/dbraw/zinc/70/72/39/571707239.db2.gz ZSXBHXRKFRCNNC-SECBINFHSA-N 0 3 197.253 2.272 10 0 AEAEHN CC(C)(C)O[C@@](C)(CN)c1ccco1 214050639 571707545 /nfs/dbraw/zinc/70/75/45/571707545.db2.gz WIDCCABISOAZMB-NSHDSACASA-N 0 3 197.278 2.269 10 0 AEAEHN CCCCn1cc(CNCC)c(C)n1 70631352 571707609 /nfs/dbraw/zinc/70/76/09/571707609.db2.gz UCTOOXNZFNLYSS-UHFFFAOYSA-N 0 3 195.310 2.101 10 0 AEAEHN CCC[C@@H](C)Cn1ncc(CN)c1C 70630878 571708029 /nfs/dbraw/zinc/70/80/29/571708029.db2.gz KBCCJHXCOLSFQM-SECBINFHSA-N 0 3 195.310 2.086 10 0 AEAEHN CCCCCn1cc(CNC)c(C)n1 70631324 571708048 /nfs/dbraw/zinc/70/80/48/571708048.db2.gz DKTRZPUCESCGRQ-UHFFFAOYSA-N 0 3 195.310 2.101 10 0 AEAEHN Cc1nn(CCC(C)(C)C)cc1CN 70630914 571708268 /nfs/dbraw/zinc/70/82/68/571708268.db2.gz KSGLAZSYANCLTK-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN CCC[C@H](C)Cn1nccc1CNC 70631640 571709168 /nfs/dbraw/zinc/70/91/68/571709168.db2.gz JLDSXKSINOPRAT-JTQLQIEISA-N 0 3 195.310 2.039 10 0 AEAEHN CCCCn1nccc1CNCCC 70631718 571709376 /nfs/dbraw/zinc/70/93/76/571709376.db2.gz XGSBVQRPYTYSIR-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN CCNCc1ccnn1C[C@@H](C)CC 70631704 571709742 /nfs/dbraw/zinc/70/97/42/571709742.db2.gz MOKZZCVAIGWXTE-JTQLQIEISA-N 0 3 195.310 2.039 10 0 AEAEHN CCCCn1nccc1CNC(C)C 70631741 571709875 /nfs/dbraw/zinc/70/98/75/571709875.db2.gz YVAJKMVLXOAJHD-UHFFFAOYSA-N 0 3 195.310 2.181 10 0 AEAEHN CCC[C@@H](C)Cn1nccc1CNC 70631639 571709892 /nfs/dbraw/zinc/70/98/92/571709892.db2.gz JLDSXKSINOPRAT-SNVBAGLBSA-N 0 3 195.310 2.039 10 0 AEAEHN CCCCn1ccc(CNC(C)C)n1 70632011 571709974 /nfs/dbraw/zinc/70/99/74/571709974.db2.gz KENGZKVWSWVXMJ-UHFFFAOYSA-N 0 3 195.310 2.181 10 0 AEAEHN Cc1c[nH]c(N[C@H](C)C2CCC2)n1 235262182 571709976 /nfs/dbraw/zinc/70/99/76/571709976.db2.gz JAYHYRVYYURWGM-MRVPVSSYSA-N 0 3 179.267 2.319 10 0 AEAEHN CCCCn1ccc(CNCCC)n1 70631966 571710025 /nfs/dbraw/zinc/71/00/25/571710025.db2.gz WMEJDGPFEJPWJB-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN CCC[C@@H](C)Cn1ccc(CNC)n1 70631847 571710343 /nfs/dbraw/zinc/71/03/43/571710343.db2.gz CBXQTWJYBWDINC-SNVBAGLBSA-N 0 3 195.310 2.039 10 0 AEAEHN CCNCc1ccn(C[C@@H](C)CC)n1 70631944 571710447 /nfs/dbraw/zinc/71/04/47/571710447.db2.gz WOWHIIRGNQONIR-JTQLQIEISA-N 0 3 195.310 2.039 10 0 AEAEHN CCNCc1ccn(C[C@H](C)CC)n1 70631942 571710490 /nfs/dbraw/zinc/71/04/90/571710490.db2.gz WOWHIIRGNQONIR-SNVBAGLBSA-N 0 3 195.310 2.039 10 0 AEAEHN CCC[C@H](C)Cn1ccc(CNC)n1 70631848 571710522 /nfs/dbraw/zinc/71/05/22/571710522.db2.gz CBXQTWJYBWDINC-JTQLQIEISA-N 0 3 195.310 2.039 10 0 AEAEHN CNCc1ccnn1CCC(C)(C)C 70631543 571710607 /nfs/dbraw/zinc/71/06/07/571710607.db2.gz BLOMGXROCVGNGR-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CCN[C@@H](c1ncccc1C)C1CC1 70635030 571710625 /nfs/dbraw/zinc/71/06/25/571710625.db2.gz KKGJIJFEDPCOLV-GFCCVEGCSA-N 0 3 190.290 2.451 10 0 AEAEHN CCCn1ccc(CNC(C)(C)C)n1 70632099 571711445 /nfs/dbraw/zinc/71/14/45/571711445.db2.gz WOSYDNDBPAFWSI-UHFFFAOYSA-N 0 3 195.310 2.181 10 0 AEAEHN Cc1ccc(CN[C@H]2CC23CC3)cn1 335283240 571710972 /nfs/dbraw/zinc/71/09/72/571710972.db2.gz XTEBVXTWYYPZJE-NSHDSACASA-N 0 3 188.274 2.032 10 0 AEAEHN Cc1ncc(CN[C@@H]2CC23CC3)s1 335285466 571710866 /nfs/dbraw/zinc/71/08/66/571710866.db2.gz WXOINZNDDIOISO-SECBINFHSA-N 0 3 194.303 2.094 10 0 AEAEHN C[C@H]1NCCc2c(O)cc(Cl)cc21 214070608 571711081 /nfs/dbraw/zinc/71/10/81/571711081.db2.gz WBRKSWHEZHSERO-ZCFIWIBFSA-N 0 3 197.665 2.252 10 0 AEAEHN CCCCCn1nccc1CNCC 70631681 571711109 /nfs/dbraw/zinc/71/11/09/571711109.db2.gz WCAMSJUYXYCFOM-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN Cc1ncc(CN[C@H]2CC23CC3)s1 335285467 571711204 /nfs/dbraw/zinc/71/12/04/571711204.db2.gz WXOINZNDDIOISO-VIFPVBQESA-N 0 3 194.303 2.094 10 0 AEAEHN Cn1ccnc1N[C@H]1C[C@H]2CC[C@@H]1C2 70632964 571711262 /nfs/dbraw/zinc/71/12/62/571711262.db2.gz VAXDTOCROLRYMV-AEJSXWLSSA-N 0 3 191.278 2.021 10 0 AEAEHN CCCCCn1ccc(CNCC)n1 70631916 571711373 /nfs/dbraw/zinc/71/13/73/571711373.db2.gz PYGDYLKZXRLWHS-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN CNCc1ccn(CCC(C)(C)C)n1 70631816 571711387 /nfs/dbraw/zinc/71/13/87/571711387.db2.gz YDLLBDOGHPZKOG-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN Cn1ccnc1N[C@@H]1C[C@H]2CC[C@@H]1C2 70632963 571711405 /nfs/dbraw/zinc/71/14/05/571711405.db2.gz VAXDTOCROLRYMV-IVZWLZJFSA-N 0 3 191.278 2.021 10 0 AEAEHN CCNCc1ccnn1C[C@H](C)CC 70631703 571711709 /nfs/dbraw/zinc/71/17/09/571711709.db2.gz MOKZZCVAIGWXTE-SNVBAGLBSA-N 0 3 195.310 2.039 10 0 AEAEHN CCN[C@H](c1cccc(C)n1)C1CC1 70635090 571713367 /nfs/dbraw/zinc/71/33/67/571713367.db2.gz PPMGXLRVICVQAD-LBPRGKRZSA-N 0 3 190.290 2.451 10 0 AEAEHN COc1ccc(CN2CC=CC2)cc1 118880311 571712464 /nfs/dbraw/zinc/71/24/64/571712464.db2.gz GVOBFYUWGWUVBX-UHFFFAOYSA-N 0 3 189.258 2.067 10 0 AEAEHN C[C@@H]1NCCc2c(O)cc(Cl)cc21 214070669 571712720 /nfs/dbraw/zinc/71/27/20/571712720.db2.gz WBRKSWHEZHSERO-LURJTMIESA-N 0 3 197.665 2.252 10 0 AEAEHN CCN[C@H](c1ncccc1C)C1CC1 70635031 571713347 /nfs/dbraw/zinc/71/33/47/571713347.db2.gz KKGJIJFEDPCOLV-LBPRGKRZSA-N 0 3 190.290 2.451 10 0 AEAEHN CCN[C@H](c1cc(C)ccn1)C1CC1 70635116 571713351 /nfs/dbraw/zinc/71/33/51/571713351.db2.gz VNHRJJKLZCUUHV-LBPRGKRZSA-N 0 3 190.290 2.451 10 0 AEAEHN CCN[C@@H](c1cccc(C)n1)C1CC1 70635089 571713681 /nfs/dbraw/zinc/71/36/81/571713681.db2.gz PPMGXLRVICVQAD-GFCCVEGCSA-N 0 3 190.290 2.451 10 0 AEAEHN C[C@@H]1CCC[C@H]1Nc1ncc[nH]1 235271663 571714200 /nfs/dbraw/zinc/71/42/00/571714200.db2.gz PYFYKWJAJWNWIC-HTQZYQBOSA-N 0 3 165.240 2.010 10 0 AEAEHN CCN[C@@H](c1cc(C)ccn1)C1CC1 70635114 571714262 /nfs/dbraw/zinc/71/42/62/571714262.db2.gz VNHRJJKLZCUUHV-GFCCVEGCSA-N 0 3 190.290 2.451 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC23CC3)cn1 335283239 571714397 /nfs/dbraw/zinc/71/43/97/571714397.db2.gz XTEBVXTWYYPZJE-LLVKDONJSA-N 0 3 188.274 2.032 10 0 AEAEHN Cc1c[nH]c(N[C@H]2CCC[C@H]2C)n1 235273591 571715385 /nfs/dbraw/zinc/71/53/85/571715385.db2.gz ROFDMMMOXYUJIF-APPZFPTMSA-N 0 3 179.267 2.319 10 0 AEAEHN CNCc1sc(C)cc1Cl 214119745 571716564 /nfs/dbraw/zinc/71/65/64/571716564.db2.gz ZDTFNHMLCUNTBO-UHFFFAOYSA-N 0 3 175.684 2.429 10 0 AEAEHN C[C@@H]1CCC[C@@H]1Nc1ncc[nH]1 235274919 571716861 /nfs/dbraw/zinc/71/68/61/571716861.db2.gz PYFYKWJAJWNWIC-SFYZADRCSA-N 0 3 165.240 2.010 10 0 AEAEHN CC[C@@H]1CC[C@H](NCc2cc[nH]n2)C1 70643599 571717072 /nfs/dbraw/zinc/71/70/72/571717072.db2.gz CIAVDMIICFIVSL-ZJUUUORDSA-N 0 3 193.294 2.078 10 0 AEAEHN Cc1c[nH]c(N[C@@H]2CCC[C@H]2C)n1 235269887 571717749 /nfs/dbraw/zinc/71/77/49/571717749.db2.gz ROFDMMMOXYUJIF-VXNVDRBHSA-N 0 3 179.267 2.319 10 0 AEAEHN CC[C@H]1CC[C@@H](NCc2cc[nH]n2)C1 70643602 571718132 /nfs/dbraw/zinc/71/81/32/571718132.db2.gz CIAVDMIICFIVSL-VHSXEESVSA-N 0 3 193.294 2.078 10 0 AEAEHN CC[C@@H]1CC[C@@H](NCc2cc[nH]n2)C1 70643601 571718385 /nfs/dbraw/zinc/71/83/85/571718385.db2.gz CIAVDMIICFIVSL-NXEZZACHSA-N 0 3 193.294 2.078 10 0 AEAEHN CC[C@H]1CC[C@H](NCc2cc[nH]n2)C1 70643600 571719208 /nfs/dbraw/zinc/71/92/08/571719208.db2.gz CIAVDMIICFIVSL-UWVGGRQHSA-N 0 3 193.294 2.078 10 0 AEAEHN CCc1ccc([C@@H](N)[C@@H](O)CC)s1 95813521 571719427 /nfs/dbraw/zinc/71/94/27/571719427.db2.gz SRNBXSFAGLYIPU-WPRPVWTQSA-N 0 3 199.319 2.081 10 0 AEAEHN CC[C@@H]1CC[C@H](NCc2ncc[nH]2)C1 70646350 571720953 /nfs/dbraw/zinc/72/09/53/571720953.db2.gz ANEFOQHJHMTQPZ-ZJUUUORDSA-N 0 3 193.294 2.078 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1cccc(C)c1 70648605 571719737 /nfs/dbraw/zinc/71/97/37/571719737.db2.gz VBEYPFKWPLFREO-CMPLNLGQSA-N 0 3 193.290 2.420 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1cccs1 70648494 571720053 /nfs/dbraw/zinc/72/00/53/571720053.db2.gz QHNVFPCGLPZSDU-VXNVDRBHSA-N 0 3 185.292 2.173 10 0 AEAEHN CCN[C@@H](c1ccoc1)[C@H](C)OCC 70649233 571724026 /nfs/dbraw/zinc/72/40/26/571724026.db2.gz PPORSJXWOQMOQJ-GXSJLCMTSA-N 0 3 197.278 2.355 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1cccs1 70648491 571720298 /nfs/dbraw/zinc/72/02/98/571720298.db2.gz QHNVFPCGLPZSDU-CBAPKCEASA-N 0 3 185.292 2.173 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1ccccc1F 70648616 571720412 /nfs/dbraw/zinc/72/04/12/571720412.db2.gz DMZCVJYRIUMIMF-KCJUWKMLSA-N 0 3 197.253 2.251 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1cccc(C)c1 70648603 571720567 /nfs/dbraw/zinc/72/05/67/571720567.db2.gz VBEYPFKWPLFREO-JQWIXIFHSA-N 0 3 193.290 2.420 10 0 AEAEHN C[C@@H](Nc1ncc[nH]1)C1CCCC1 235282349 571720571 /nfs/dbraw/zinc/72/05/71/571720571.db2.gz JXLCYKXICMMFPY-MRVPVSSYSA-N 0 3 179.267 2.400 10 0 AEAEHN CC[C@@H]1CC[C@@H](NCc2ncc[nH]2)C1 70646352 571720723 /nfs/dbraw/zinc/72/07/23/571720723.db2.gz ANEFOQHJHMTQPZ-NXEZZACHSA-N 0 3 193.294 2.078 10 0 AEAEHN C[C@@H](Nc1ncc[nH]1)C(C)(C)C 235282211 571720731 /nfs/dbraw/zinc/72/07/31/571720731.db2.gz YWNFNWNQKSUEGG-SSDOTTSWSA-N 0 3 167.256 2.256 10 0 AEAEHN CC(C)(N)c1cc2ncccc2o1 214134398 571720846 /nfs/dbraw/zinc/72/08/46/571720846.db2.gz NFYOCFPBBIPSNR-UHFFFAOYSA-N 0 3 176.219 2.022 10 0 AEAEHN CC(C)(N)c1cc2cnccc2o1 214134319 571720912 /nfs/dbraw/zinc/72/09/12/571720912.db2.gz UTHHOLHYXUDPER-UHFFFAOYSA-N 0 3 176.219 2.022 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1ccccc1F 70648617 571721200 /nfs/dbraw/zinc/72/12/00/571721200.db2.gz DMZCVJYRIUMIMF-GZMMTYOYSA-N 0 3 197.253 2.251 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1cccc(C)c1 70648604 571721242 /nfs/dbraw/zinc/72/12/42/571721242.db2.gz VBEYPFKWPLFREO-PWSUYJOCSA-N 0 3 193.290 2.420 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1cccc(C)c1 70648606 571721667 /nfs/dbraw/zinc/72/16/67/571721667.db2.gz VBEYPFKWPLFREO-ZYHUDNBSSA-N 0 3 193.290 2.420 10 0 AEAEHN NCc1cc2sc(Cl)cc2cn1 214137229 571721711 /nfs/dbraw/zinc/72/17/11/571721711.db2.gz MSOCURLLQXTAAV-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1ccccc1F 70648618 571721778 /nfs/dbraw/zinc/72/17/78/571721778.db2.gz DMZCVJYRIUMIMF-LDYMZIIASA-N 0 3 197.253 2.251 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1cccs1 70648493 571721826 /nfs/dbraw/zinc/72/18/26/571721826.db2.gz QHNVFPCGLPZSDU-IONNQARKSA-N 0 3 185.292 2.173 10 0 AEAEHN CC[C@H]1CC[C@H](NCc2ncc[nH]2)C1 70646351 571721870 /nfs/dbraw/zinc/72/18/70/571721870.db2.gz ANEFOQHJHMTQPZ-UWVGGRQHSA-N 0 3 193.294 2.078 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1cccs1 70648492 571722068 /nfs/dbraw/zinc/72/20/68/571722068.db2.gz QHNVFPCGLPZSDU-APPZFPTMSA-N 0 3 185.292 2.173 10 0 AEAEHN CC[C@H]1CC[C@@H](NCc2ncc[nH]2)C1 70646353 571722078 /nfs/dbraw/zinc/72/20/78/571722078.db2.gz ANEFOQHJHMTQPZ-VHSXEESVSA-N 0 3 193.294 2.078 10 0 AEAEHN CN1CCCCC[C@H]1C(=O)C1CCC1 214152242 571722144 /nfs/dbraw/zinc/72/21/44/571722144.db2.gz WYERNWUHVRHNKY-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1ccccc1F 70648615 571722181 /nfs/dbraw/zinc/72/21/81/571722181.db2.gz DMZCVJYRIUMIMF-KWQFWETISA-N 0 3 197.253 2.251 10 0 AEAEHN CC(C)Cc1ccc(CN)c(Cl)n1 214138689 571722296 /nfs/dbraw/zinc/72/22/96/571722296.db2.gz VUQZZBPNRMEGCE-UHFFFAOYSA-N 0 3 198.697 2.392 10 0 AEAEHN CN1CCC[C@H](C(=O)C2CCC2)CC1 214152599 571722438 /nfs/dbraw/zinc/72/24/38/571722438.db2.gz WZXJURGFJJCNSD-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN CN1CCC[C@@H](C(=O)C2CCC2)CC1 214152654 571722527 /nfs/dbraw/zinc/72/25/27/571722527.db2.gz WZXJURGFJJCNSD-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN C[C@@H](Nc1ncc[nH]1)c1nccs1 235283607 571722829 /nfs/dbraw/zinc/72/28/29/571722829.db2.gz WBHFTOZKXHAVGC-ZCFIWIBFSA-N 0 3 194.263 2.039 10 0 AEAEHN CCN[C@H](c1ccco1)[C@@H](C)OCC 70649184 571722872 /nfs/dbraw/zinc/72/28/72/571722872.db2.gz OLONNNVNQPOGQC-KOLCDFICSA-N 0 3 197.278 2.355 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1cccc(F)c1 70648809 571722880 /nfs/dbraw/zinc/72/28/80/571722880.db2.gz BZOULKZOSJAWIC-GZMMTYOYSA-N 0 3 197.253 2.251 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1cccc(F)c1 70648810 571722919 /nfs/dbraw/zinc/72/29/19/571722919.db2.gz BZOULKZOSJAWIC-LDYMZIIASA-N 0 3 197.253 2.251 10 0 AEAEHN CCN[C@@H](c1ccco1)[C@@H](C)OCC 70649183 571722932 /nfs/dbraw/zinc/72/29/32/571722932.db2.gz OLONNNVNQPOGQC-MWLCHTKSSA-N 0 3 197.278 2.355 10 0 AEAEHN CCO[C@@H](C)[C@@H](NC)c1cccs1 70648877 571723018 /nfs/dbraw/zinc/72/30/18/571723018.db2.gz TZZHHRPRNMFKBU-WCBMZHEXSA-N 0 3 199.319 2.434 10 0 AEAEHN CN1CCC[C@H](C(=O)C2CCCC2)C1 214152739 571723122 /nfs/dbraw/zinc/72/31/22/571723122.db2.gz QYTNSWDUMYDSMU-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN CC(C)NCc1cc(N)ccc1Cl 214138771 571723226 /nfs/dbraw/zinc/72/32/26/571723226.db2.gz KQASVEQSXSXGFD-UHFFFAOYSA-N 0 3 198.697 2.420 10 0 AEAEHN C[C@@H](Nc1ncc[nH]1)C1CCC1 235282304 571723233 /nfs/dbraw/zinc/72/32/33/571723233.db2.gz DULIZWDWDWONOG-SSDOTTSWSA-N 0 3 165.240 2.010 10 0 AEAEHN CCO[C@H](C)[C@@H](NC)c1cccs1 70648878 571723275 /nfs/dbraw/zinc/72/32/75/571723275.db2.gz TZZHHRPRNMFKBU-PSASIEDQSA-N 0 3 199.319 2.434 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1cccc(F)c1 70648807 571723358 /nfs/dbraw/zinc/72/33/58/571723358.db2.gz BZOULKZOSJAWIC-KWQFWETISA-N 0 3 197.253 2.251 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1cccc(F)c1 70648808 571723391 /nfs/dbraw/zinc/72/33/91/571723391.db2.gz BZOULKZOSJAWIC-KCJUWKMLSA-N 0 3 197.253 2.251 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1ccccc1C 70648811 571723534 /nfs/dbraw/zinc/72/35/34/571723534.db2.gz WWNNOJLTCJOCIX-JQWIXIFHSA-N 0 3 193.290 2.420 10 0 AEAEHN CCN[C@H](c1ccoc1)[C@H](C)OCC 70649234 571723546 /nfs/dbraw/zinc/72/35/46/571723546.db2.gz PPORSJXWOQMOQJ-ONGXEEELSA-N 0 3 197.278 2.355 10 0 AEAEHN CN1CCC[C@@H](C(=O)C2CCCC2)C1 214152789 571723610 /nfs/dbraw/zinc/72/36/10/571723610.db2.gz QYTNSWDUMYDSMU-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1ccccc1C 70648812 571723636 /nfs/dbraw/zinc/72/36/36/571723636.db2.gz WWNNOJLTCJOCIX-PWSUYJOCSA-N 0 3 193.290 2.420 10 0 AEAEHN CCN[C@H](c1ccco1)[C@H](C)OCC 70649186 571723696 /nfs/dbraw/zinc/72/36/96/571723696.db2.gz OLONNNVNQPOGQC-ONGXEEELSA-N 0 3 197.278 2.355 10 0 AEAEHN CN1CCCCC[C@@H]1C(=O)C1CCC1 214152189 571723730 /nfs/dbraw/zinc/72/37/30/571723730.db2.gz WYERNWUHVRHNKY-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN CCN[C@@H](c1ccco1)[C@H](C)OCC 70649185 571723770 /nfs/dbraw/zinc/72/37/70/571723770.db2.gz OLONNNVNQPOGQC-GXSJLCMTSA-N 0 3 197.278 2.355 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1ccccc1C 70648814 571723904 /nfs/dbraw/zinc/72/39/04/571723904.db2.gz WWNNOJLTCJOCIX-ZYHUDNBSSA-N 0 3 193.290 2.420 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1ccccc1C 70648813 571723989 /nfs/dbraw/zinc/72/39/89/571723989.db2.gz WWNNOJLTCJOCIX-CMPLNLGQSA-N 0 3 193.290 2.420 10 0 AEAEHN CCO[C@@H](C)[C@H](NC)c1cccs1 70648875 571724001 /nfs/dbraw/zinc/72/40/01/571724001.db2.gz TZZHHRPRNMFKBU-WPRPVWTQSA-N 0 3 199.319 2.434 10 0 AEAEHN CCO[C@H](C)[C@H](NC)c1cccs1 70648876 571724042 /nfs/dbraw/zinc/72/40/42/571724042.db2.gz TZZHHRPRNMFKBU-SCZZXKLOSA-N 0 3 199.319 2.434 10 0 AEAEHN CCN[C@@H](c1ccoc1)[C@@H](C)OCC 70649231 571724123 /nfs/dbraw/zinc/72/41/23/571724123.db2.gz PPORSJXWOQMOQJ-MWLCHTKSSA-N 0 3 197.278 2.355 10 0 AEAEHN CCN[C@H](c1ccoc1)[C@@H](C)OCC 70649232 571724298 /nfs/dbraw/zinc/72/42/98/571724298.db2.gz PPORSJXWOQMOQJ-KOLCDFICSA-N 0 3 197.278 2.355 10 0 AEAEHN NCc1ccc(F)c(F)c1Cl 116730706 571726618 /nfs/dbraw/zinc/72/66/18/571726618.db2.gz ULORPEWFMWWDMH-UHFFFAOYSA-N 0 3 177.581 2.077 10 0 AEAEHN CNc1ccc(CN[C@H](C)CF)cc1 712246337 571727916 /nfs/dbraw/zinc/72/79/16/571727916.db2.gz YWFNTJUQJGKFNG-SECBINFHSA-N 0 3 196.269 2.176 10 0 AEAEHN CNc1ccc(CN[C@@H](C)CF)cc1 712246341 571728005 /nfs/dbraw/zinc/72/80/05/571728005.db2.gz YWFNTJUQJGKFNG-VIFPVBQESA-N 0 3 196.269 2.176 10 0 AEAEHN C[C@H]1CN=C(N[C@@H]2CCC[C@@H]2C)S1 70833611 571728840 /nfs/dbraw/zinc/72/88/40/571728840.db2.gz TUIRIJUYUMRVQN-XHNCKOQMSA-N 0 3 198.335 2.256 10 0 AEAEHN CCC(=O)[C@H](CC)N(CC)CC 168582065 571729031 /nfs/dbraw/zinc/72/90/31/571729031.db2.gz XHPPFKFMQZBHOX-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CCN[C@H](c1ccco1)[C@H](C)COC 69905661 571732477 /nfs/dbraw/zinc/73/24/77/571732477.db2.gz VCKBYGHVWHLAOK-KOLCDFICSA-N 0 3 197.278 2.213 10 0 AEAEHN CCN[C@@H](c1ccco1)[C@@H](C)COC 69905658 571730228 /nfs/dbraw/zinc/73/02/28/571730228.db2.gz VCKBYGHVWHLAOK-GXSJLCMTSA-N 0 3 197.278 2.213 10 0 AEAEHN CCN[C@@H](c1ccco1)[C@H](C)COC 69905660 571730277 /nfs/dbraw/zinc/73/02/77/571730277.db2.gz VCKBYGHVWHLAOK-MWLCHTKSSA-N 0 3 197.278 2.213 10 0 AEAEHN CC(C)O[C@](C)(CN)c1cccs1 214187935 571731237 /nfs/dbraw/zinc/73/12/37/571731237.db2.gz QNFHZHABKXVJTI-SNVBAGLBSA-N 0 3 199.319 2.347 10 0 AEAEHN C[C@H]1CN=C(N[C@H]2CCC[C@@H]2C)S1 70833606 571731151 /nfs/dbraw/zinc/73/11/51/571731151.db2.gz TUIRIJUYUMRVQN-CIUDSAMLSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)O[C@@](C)(CN)c1cccs1 214187877 571731371 /nfs/dbraw/zinc/73/13/71/571731371.db2.gz QNFHZHABKXVJTI-JTQLQIEISA-N 0 3 199.319 2.347 10 0 AEAEHN CCN[C@H](c1ccco1)[C@@H](C)COC 69905659 571732275 /nfs/dbraw/zinc/73/22/75/571732275.db2.gz VCKBYGHVWHLAOK-ONGXEEELSA-N 0 3 197.278 2.213 10 0 AEAEHN C[NH2+]CCc1cc(C)c([O-])c(Cl)c1 214202262 571732396 /nfs/dbraw/zinc/73/23/96/571732396.db2.gz SOEGFPDUSXGFDQ-UHFFFAOYSA-N 0 3 199.681 2.116 10 0 AEAEHN Cc1cc([O-])c(Cl)c(C)c1CC[NH3+] 214201813 571732452 /nfs/dbraw/zinc/73/24/52/571732452.db2.gz RRTSWRMKYFGLPI-UHFFFAOYSA-N 0 3 199.681 2.164 10 0 AEAEHN CCCN(C)c1nc([C@@H](C)N)cs1 70844907 571732693 /nfs/dbraw/zinc/73/26/93/571732693.db2.gz RANJQZSVHWTLGD-SSDOTTSWSA-N 0 3 199.323 2.009 10 0 AEAEHN COc1c(Cl)c(C)cc(C)c1CN 214202737 571732718 /nfs/dbraw/zinc/73/27/18/571732718.db2.gz WXIITOXKYSDCPF-UHFFFAOYSA-N 0 3 199.681 2.424 10 0 AEAEHN CCCN(C)c1nc([C@H](C)N)cs1 70844917 571733326 /nfs/dbraw/zinc/73/33/26/571733326.db2.gz RANJQZSVHWTLGD-ZETCQYMHSA-N 0 3 199.323 2.009 10 0 AEAEHN Cc1cc(C)c(CC[NH3+])c([O-])c1Cl 214202427 571734626 /nfs/dbraw/zinc/73/46/26/571734626.db2.gz HVBSLJGHJHCNJH-UHFFFAOYSA-N 0 3 199.681 2.164 10 0 AEAEHN CC[C@@]1(C)CSC(N[C@H]2C[C@@H]2C)=N1 70892084 571735303 /nfs/dbraw/zinc/73/53/03/571735303.db2.gz ZVRXAFGDCWMBOE-NRPADANISA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@]1(C)CSC(N[C@@H]2C[C@@H]2C)=N1 70892073 571736557 /nfs/dbraw/zinc/73/65/57/571736557.db2.gz ZVRXAFGDCWMBOE-XKSSXDPKSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)n1cc(CN)c(C(C)(C)C)n1 11920340 571737047 /nfs/dbraw/zinc/73/70/47/571737047.db2.gz GSYWWFZPYIUATI-UHFFFAOYSA-N 0 3 195.310 2.220 10 0 AEAEHN Cc1cccnc1CNc1ccncc1 70909300 571738683 /nfs/dbraw/zinc/73/86/83/571738683.db2.gz BFTACRAHOWCMOG-UHFFFAOYSA-N 0 3 199.257 2.397 10 0 AEAEHN CCCC[C@H](C)[C@H](N)c1cncnc1 301001878 571738669 /nfs/dbraw/zinc/73/86/69/571738669.db2.gz YBVUAJUQDTWIFI-ONGXEEELSA-N 0 3 193.294 2.303 10 0 AEAEHN Cc1cnoc1C1(N)CCCCC1 214246940 571738795 /nfs/dbraw/zinc/73/87/95/571738795.db2.gz JIHSJTZKXSJHDO-UHFFFAOYSA-N 0 3 180.251 2.101 10 0 AEAEHN CCc1c[nH]c2ccncc12 24780776 571738975 /nfs/dbraw/zinc/73/89/75/571738975.db2.gz UXASRVNMDCPJRQ-UHFFFAOYSA-N 0 3 146.193 2.125 10 0 AEAEHN CCCC[C@@H](C)[C@@H](N)c1cncnc1 301001876 571739521 /nfs/dbraw/zinc/73/95/21/571739521.db2.gz YBVUAJUQDTWIFI-MWLCHTKSSA-N 0 3 193.294 2.303 10 0 AEAEHN CCCC[C@H](C)[C@@H](N)c1cncnc1 301001872 571739978 /nfs/dbraw/zinc/73/99/78/571739978.db2.gz YBVUAJUQDTWIFI-GXSJLCMTSA-N 0 3 193.294 2.303 10 0 AEAEHN Cc1noc(C2(N)CCCC2)c1C 214247115 571740124 /nfs/dbraw/zinc/74/01/24/571740124.db2.gz AMOVFVFPAMOWAW-UHFFFAOYSA-N 0 3 180.251 2.019 10 0 AEAEHN CCCC[C@@H](C)[C@H](N)c1cncnc1 301001874 571740598 /nfs/dbraw/zinc/74/05/98/571740598.db2.gz YBVUAJUQDTWIFI-KOLCDFICSA-N 0 3 193.294 2.303 10 0 AEAEHN Cc1cccnc1CN[C@H](C)C1CC1 70908025 571740713 /nfs/dbraw/zinc/74/07/13/571740713.db2.gz KOEZHROIJGCUBU-SNVBAGLBSA-N 0 3 190.290 2.278 10 0 AEAEHN CN[C@@H](COC)c1c(C)cccc1C 234415630 571740954 /nfs/dbraw/zinc/74/09/54/571740954.db2.gz YSQLFBVVQYPOEH-NSHDSACASA-N 0 3 193.290 2.210 10 0 AEAEHN CC(=N)c1cc(C)ccc1O 24862795 571742537 /nfs/dbraw/zinc/74/25/37/571742537.db2.gz MAZSCXDERRXDEX-UHFFFAOYSA-N 0 3 149.193 2.088 10 0 AEAEHN CCCCCCn1ccc(CNC)n1 70708960 571742960 /nfs/dbraw/zinc/74/29/60/571742960.db2.gz YIHLXSSZYYJEKA-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN CCCCCn1ncc(CNC)c1C 70708536 571743511 /nfs/dbraw/zinc/74/35/11/571743511.db2.gz NKSFOEAIVKQLAL-UHFFFAOYSA-N 0 3 195.310 2.101 10 0 AEAEHN CCCC(=O)CN(CC1CC1)C1CC1 70736719 571745299 /nfs/dbraw/zinc/74/52/99/571745299.db2.gz ZMGSBXXHSZFOGX-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)SCc1ccc(CN)nc1 168864145 571748170 /nfs/dbraw/zinc/74/81/70/571748170.db2.gz JXBZYIHLCJSPKB-UHFFFAOYSA-N 0 3 196.319 2.182 10 0 AEAEHN COc1ccc(C)c(Cl)c1CN 214435027 571754560 /nfs/dbraw/zinc/75/45/60/571754560.db2.gz JTJAPANERAOOFZ-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN CC(C)N(C)c1ccc(F)cc1CN 37236250 571752656 /nfs/dbraw/zinc/75/26/56/571752656.db2.gz FDELSBYANIYZIN-UHFFFAOYSA-N 0 3 196.269 2.129 10 0 AEAEHN CN(CCC1CC1)Cc1ccc[nH]1 687799030 571753834 /nfs/dbraw/zinc/75/38/34/571753834.db2.gz MPFZACLSIQBXCH-UHFFFAOYSA-N 0 3 178.279 2.247 10 0 AEAEHN COc1cc(C)c(Cl)c(CN)c1 214434784 571754045 /nfs/dbraw/zinc/75/40/45/571754045.db2.gz NISAZWMTSNRPHB-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN COc1cc(C)cc(Cl)c1CN 214434941 571755139 /nfs/dbraw/zinc/75/51/39/571755139.db2.gz KMBPMSCTQXXXTP-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN COc1c(C)ccc(Cl)c1CN 214435109 571755471 /nfs/dbraw/zinc/75/54/71/571755471.db2.gz GQIZOXYHEQALHS-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN CNCc1cc(O)c(C)c(Cl)c1 214431241 571755490 /nfs/dbraw/zinc/75/54/90/571755490.db2.gz ODMSGPUZJYXXRD-UHFFFAOYSA-N 0 3 185.654 2.073 10 0 AEAEHN Cc1cc(C[NH3+])c(C)c([O-])c1Cl 214434628 571755634 /nfs/dbraw/zinc/75/56/34/571755634.db2.gz QGZBPHUPNRWESF-UHFFFAOYSA-N 0 3 185.654 2.121 10 0 AEAEHN CNCc1cc(O)cc(C)c1Cl 214431481 571755659 /nfs/dbraw/zinc/75/56/59/571755659.db2.gz XSHVQFUTCIFPNN-UHFFFAOYSA-N 0 3 185.654 2.073 10 0 AEAEHN C[C@@H]1N[C@@H](C)O[C@@H]1c1ccccc1 205049068 571755953 /nfs/dbraw/zinc/75/59/53/571755953.db2.gz KWVWCOPFNFBTBN-NGZCFLSTSA-N 0 3 177.247 2.082 10 0 AEAEHN C[C@@H]1N[C@H](C)[C@@H](c2ccccc2)O1 205049053 571756019 /nfs/dbraw/zinc/75/60/19/571756019.db2.gz KWVWCOPFNFBTBN-KKZNHRDASA-N 0 3 177.247 2.082 10 0 AEAEHN CCC1(n2cc(C)nc2N)CCC1 687799045 571756386 /nfs/dbraw/zinc/75/63/86/571756386.db2.gz DSDAWMCVVZHZBM-UHFFFAOYSA-N 0 3 179.267 2.063 10 0 AEAEHN C[C@@H](F)CCN1CCC[C@@H]1CF 393429261 571756787 /nfs/dbraw/zinc/75/67/87/571756787.db2.gz PDNOBBPBRVABGH-RKDXNWHRSA-N 0 3 177.238 2.168 10 0 AEAEHN C[C@H](F)CCN1CCC[C@@H]1CF 393429259 571758898 /nfs/dbraw/zinc/75/88/98/571758898.db2.gz PDNOBBPBRVABGH-DTWKUNHWSA-N 0 3 177.238 2.168 10 0 AEAEHN CCC(C)(C)C[C@](C)(F)CN 17435014 571760774 /nfs/dbraw/zinc/76/07/74/571760774.db2.gz FWUOAIZBNIJAOS-VIFPVBQESA-N 0 3 161.264 2.500 10 0 AEAEHN CC[C@H](C)C[C@@](C)(N)C(F)F 17496767 571760441 /nfs/dbraw/zinc/76/04/41/571760441.db2.gz PCSRUIHULXHWIH-POYBYMJQSA-N 0 3 165.227 2.405 10 0 AEAEHN CC(C)CC(F)(F)C(C)(C)N 17414074 571760747 /nfs/dbraw/zinc/76/07/47/571760747.db2.gz CRJJNZGFKSOAJK-UHFFFAOYSA-N 0 3 165.227 2.405 10 0 AEAEHN CC[C@H](C)C[C@](C)(N)C(F)F 17496771 571760682 /nfs/dbraw/zinc/76/06/82/571760682.db2.gz PCSRUIHULXHWIH-XPUUQOCRSA-N 0 3 165.227 2.405 10 0 AEAEHN CC[C@@](F)(CN)CC(C)(C)C 17440166 571761153 /nfs/dbraw/zinc/76/11/53/571761153.db2.gz VNSNSUIXXVJGID-VIFPVBQESA-N 0 3 161.264 2.500 10 0 AEAEHN CC(C)C(C)(C)C[C@H](F)CN 17495847 571761738 /nfs/dbraw/zinc/76/17/38/571761738.db2.gz WNOYMFCBOYBJSJ-QMMMGPOBSA-N 0 3 161.264 2.356 10 0 AEAEHN CC[C@@H](C)C[C@@](C)(N)C(F)F 17496765 571761762 /nfs/dbraw/zinc/76/17/62/571761762.db2.gz PCSRUIHULXHWIH-HTRCEHHLSA-N 0 3 165.227 2.405 10 0 AEAEHN CC[C@](F)(CN)CC(C)(C)C 17440167 571762053 /nfs/dbraw/zinc/76/20/53/571762053.db2.gz VNSNSUIXXVJGID-SECBINFHSA-N 0 3 161.264 2.500 10 0 AEAEHN CC[C@@H](C)C[C@](C)(N)C(F)F 17496769 571762146 /nfs/dbraw/zinc/76/21/46/571762146.db2.gz PCSRUIHULXHWIH-SVRRBLITSA-N 0 3 165.227 2.405 10 0 AEAEHN CCC(C)(C)C[C@@](C)(F)CN 17435012 571762154 /nfs/dbraw/zinc/76/21/54/571762154.db2.gz FWUOAIZBNIJAOS-SECBINFHSA-N 0 3 161.264 2.500 10 0 AEAEHN CC(C)C(C)(C)C[C@@H](F)CN 17495845 571762519 /nfs/dbraw/zinc/76/25/19/571762519.db2.gz WNOYMFCBOYBJSJ-MRVPVSSYSA-N 0 3 161.264 2.356 10 0 AEAEHN CC(C)C[C@H](C)CC(=O)CNC1CC1 301004144 571762734 /nfs/dbraw/zinc/76/27/34/571762734.db2.gz XPHHRDOQPHEOEH-JTQLQIEISA-N 0 3 197.322 2.380 10 0 AEAEHN C[C@H]1CCC[C@@H]1N1CCC(=O)C[C@@H]1C 70832053 571763146 /nfs/dbraw/zinc/76/31/46/571763146.db2.gz YUESDBYIDVQDTR-NHCYSSNCSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(C)C[C@@H](C)CC(=O)CNC1CC1 301004147 571763299 /nfs/dbraw/zinc/76/32/99/571763299.db2.gz XPHHRDOQPHEOEH-SNVBAGLBSA-N 0 3 197.322 2.380 10 0 AEAEHN C[C@H]1CCC[C@H]1N1CCC(=O)C[C@@H]1C 70832061 571763760 /nfs/dbraw/zinc/76/37/60/571763760.db2.gz YUESDBYIDVQDTR-JBLDHEPKSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@](F)(CN)CCCC(F)F 17618008 571764580 /nfs/dbraw/zinc/76/45/80/571764580.db2.gz XXLFTAOKXLKEFU-SSDOTTSWSA-N 0 3 169.190 2.109 10 0 AEAEHN CC(C)(CO)CCCN1CC(C)(C)C1 393433787 571764624 /nfs/dbraw/zinc/76/46/24/571764624.db2.gz DIJGQZNHGKTMRD-UHFFFAOYSA-N 0 3 199.338 2.127 10 0 AEAEHN C[C@@](F)(CN)CCCC(F)F 17618006 571765148 /nfs/dbraw/zinc/76/51/48/571765148.db2.gz XXLFTAOKXLKEFU-ZETCQYMHSA-N 0 3 169.190 2.109 10 0 AEAEHN CN[C@H](CCOC(C)C)c1ccoc1 69946617 571766956 /nfs/dbraw/zinc/76/69/56/571766956.db2.gz RPWDCZZRQXPCCG-LLVKDONJSA-N 0 3 197.278 2.355 10 0 AEAEHN CC(C)OCC[C@H](N)c1ccoc1 69946346 571767539 /nfs/dbraw/zinc/76/75/39/571767539.db2.gz PWODJFICASNTHS-JTQLQIEISA-N 0 3 183.251 2.095 10 0 AEAEHN CN[C@@H](CCOC(C)C)c1ccoc1 69946615 571767852 /nfs/dbraw/zinc/76/78/52/571767852.db2.gz RPWDCZZRQXPCCG-NSHDSACASA-N 0 3 197.278 2.355 10 0 AEAEHN CCN[C@@H](c1ccoc1)[C@@H](C)COC 69946864 571767908 /nfs/dbraw/zinc/76/79/08/571767908.db2.gz YSPJCTLKGSHOMY-GXSJLCMTSA-N 0 3 197.278 2.213 10 0 AEAEHN C/C=C/COc1ccc(C)cc1CN 70954334 571771735 /nfs/dbraw/zinc/77/17/35/571771735.db2.gz XCKSHKIZLXVWON-ONEGZZNKSA-N 0 3 191.274 2.409 10 0 AEAEHN CCN[C@H](c1ccoc1)[C@@H](C)COC 69946866 571768103 /nfs/dbraw/zinc/76/81/03/571768103.db2.gz YSPJCTLKGSHOMY-ONGXEEELSA-N 0 3 197.278 2.213 10 0 AEAEHN CC[C@@H]1CCCN([C@@H]2CCCC2=O)C1 37339513 571774231 /nfs/dbraw/zinc/77/42/31/571774231.db2.gz GJQJOSQSAAQUDJ-GHMZBOCLSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H]1C[C@@H]1c1ccc([C@@H](C)N)o1 26442196 571769265 /nfs/dbraw/zinc/76/92/65/571769265.db2.gz FIXRCZFOHYWZHF-RNJXMRFFSA-N 0 3 165.236 2.423 10 0 AEAEHN C[C@H]1C[C@H]1c1ccc([C@@H](C)N)o1 26442188 571769336 /nfs/dbraw/zinc/76/93/36/571769336.db2.gz FIXRCZFOHYWZHF-XLPZGREQSA-N 0 3 165.236 2.423 10 0 AEAEHN Cc1c[nH]c(N[C@@H]2CC[C@@H](C)C2)n1 235324061 571769861 /nfs/dbraw/zinc/76/98/61/571769861.db2.gz YPOGYNBDJBICJQ-VXNVDRBHSA-N 0 3 179.267 2.319 10 0 AEAEHN N=C1Nc2ccccc2N2CCC[C@H]12 26574482 571769898 /nfs/dbraw/zinc/76/98/98/571769898.db2.gz VJNDIDVVHZZRQP-SNVBAGLBSA-N 0 3 187.246 2.058 10 0 AEAEHN N=C1Nc2ccccc2N2CCC[C@@H]12 26574484 571770091 /nfs/dbraw/zinc/77/00/91/571770091.db2.gz VJNDIDVVHZZRQP-JTQLQIEISA-N 0 3 187.246 2.058 10 0 AEAEHN CCCCOCC[C@@H](N)c1ccoc1 69946538 571770587 /nfs/dbraw/zinc/77/05/87/571770587.db2.gz MMTGRFWAUFOJPU-LLVKDONJSA-N 0 3 197.278 2.486 10 0 AEAEHN CC(C)OCC[C@@H](N)c1ccoc1 69946347 571770873 /nfs/dbraw/zinc/77/08/73/571770873.db2.gz PWODJFICASNTHS-SNVBAGLBSA-N 0 3 183.251 2.095 10 0 AEAEHN CCN[C@@H](c1ccoc1)[C@H](C)COC 69946867 571771069 /nfs/dbraw/zinc/77/10/69/571771069.db2.gz YSPJCTLKGSHOMY-MWLCHTKSSA-N 0 3 197.278 2.213 10 0 AEAEHN CCCCOCC[C@H](N)c1ccoc1 69946536 571771113 /nfs/dbraw/zinc/77/11/13/571771113.db2.gz MMTGRFWAUFOJPU-NSHDSACASA-N 0 3 197.278 2.486 10 0 AEAEHN CCN[C@H](c1ccoc1)[C@H](C)COC 69946868 571771243 /nfs/dbraw/zinc/77/12/43/571771243.db2.gz YSPJCTLKGSHOMY-KOLCDFICSA-N 0 3 197.278 2.213 10 0 AEAEHN C[C@H]1C[C@@H](C)CN([C@@H]2CCCC2=O)C1 37331859 571771832 /nfs/dbraw/zinc/77/18/32/571771832.db2.gz SSSFZOGTFNNYGX-OUAUKWLOSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1CC[C@@H](Nc2ncc[nH]2)C1 235329775 571771846 /nfs/dbraw/zinc/77/18/46/571771846.db2.gz GCORZVRIDMKAMZ-HTQZYQBOSA-N 0 3 165.240 2.010 10 0 AEAEHN Cc1ccc(OCC2CC2)c(CN)c1 70954402 571771864 /nfs/dbraw/zinc/77/18/64/571771864.db2.gz WNADSOMBKBJEKV-UHFFFAOYSA-N 0 3 191.274 2.243 10 0 AEAEHN CC(C)(N)C(F)(F)C1CCC1 18678930 571771915 /nfs/dbraw/zinc/77/19/15/571771915.db2.gz YUGAJUCINZZEPI-UHFFFAOYSA-N 0 3 163.211 2.159 10 0 AEAEHN CC(C)[C@H](C)N(C)[C@@H]1CCCC1=O 37338996 571772432 /nfs/dbraw/zinc/77/24/32/571772432.db2.gz BOXBYGGNPSCCKL-VHSXEESVSA-N 0 3 183.295 2.084 10 0 AEAEHN CC(=O)[C@@H](C)N1[C@@H](C)CCC[C@H]1C 687799524 571772515 /nfs/dbraw/zinc/77/25/15/571772515.db2.gz JUHBDLXLZRUOKL-KXUCPTDWSA-N 0 3 183.295 2.227 10 0 AEAEHN Cc1c[nH]c(N[C@H]2CC[C@@H](C)C2)n1 235329465 571772525 /nfs/dbraw/zinc/77/25/25/571772525.db2.gz YPOGYNBDJBICJQ-APPZFPTMSA-N 0 3 179.267 2.319 10 0 AEAEHN C[C@@H]1CC[C@@H](Nc2ncc[nH]2)[C@@H]1C 235329928 571772906 /nfs/dbraw/zinc/77/29/06/571772906.db2.gz ZGZWQXPNIOQTBB-IWSPIJDZSA-N 0 3 179.267 2.256 10 0 AEAEHN CC1CCN([C@H]2CCCCC2=O)CC1 37332101 571773071 /nfs/dbraw/zinc/77/30/71/571773071.db2.gz SKTSXUOLMMRRIO-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@H](C)N(C)[C@@H]1CCCCC1=O 37335935 571773225 /nfs/dbraw/zinc/77/32/25/571773225.db2.gz CIVPKIRZFIWKKM-VHSXEESVSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@H]1CCCN([C@@H]2CCCC2=O)C1 37339514 571773557 /nfs/dbraw/zinc/77/35/57/571773557.db2.gz GJQJOSQSAAQUDJ-WDEREUQCSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)[C@@H](C)N(C)[C@@H]1CCCC1=O 37338995 571773628 /nfs/dbraw/zinc/77/36/28/571773628.db2.gz BOXBYGGNPSCCKL-NXEZZACHSA-N 0 3 183.295 2.084 10 0 AEAEHN C[C@@H]1C[C@@H](C)CN([C@@H]2CCCC2=O)C1 37331863 571774072 /nfs/dbraw/zinc/77/40/72/571774072.db2.gz SSSFZOGTFNNYGX-GMTAPVOTSA-N 0 3 195.306 2.086 10 0 AEAEHN CC1CCN([C@@H]2CCCCC2=O)CC1 37332099 571774615 /nfs/dbraw/zinc/77/46/15/571774615.db2.gz SKTSXUOLMMRRIO-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@H](C)N(C)[C@@H]1CCCCC1=O 37335933 571774634 /nfs/dbraw/zinc/77/46/34/571774634.db2.gz CIVPKIRZFIWKKM-NXEZZACHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC(=O)[C@H](C)N1[C@@H](C)CCC[C@H]1C 687799523 571774642 /nfs/dbraw/zinc/77/46/42/571774642.db2.gz JUHBDLXLZRUOKL-AEJSXWLSSA-N 0 3 183.295 2.227 10 0 AEAEHN CN1CC[C@@H](CF)[C@H]1c1cccnc1 27106420 571775902 /nfs/dbraw/zinc/77/59/02/571775902.db2.gz PLOSIAMCLIOVAZ-ONGXEEELSA-N 0 3 194.253 2.044 10 0 AEAEHN C[C@H]1C[C@@H](c2cccnc2)N(C)C1 27107943 571776898 /nfs/dbraw/zinc/77/68/98/571776898.db2.gz FFVWMSOTNFVMFW-ONGXEEELSA-N 0 3 176.263 2.094 10 0 AEAEHN Cc1cccc2sc(C(=N)N)cc12 27215355 571778153 /nfs/dbraw/zinc/77/81/53/571778153.db2.gz ZUQRTDFKVYQSKV-UHFFFAOYSA-N 0 3 190.271 2.494 10 0 AEAEHN CC1(C)C(NCc2cnoc2)C1(C)C 687721773 571778259 /nfs/dbraw/zinc/77/82/59/571778259.db2.gz PRDIJROUWUMOKQ-UHFFFAOYSA-N 0 3 194.278 2.199 10 0 AEAEHN CC(C)c1c[nH]c([C@@](C)(N)C2CC2)n1 37479327 571779176 /nfs/dbraw/zinc/77/91/76/571779176.db2.gz ZBJSRIJTNPDNPX-NSHDSACASA-N 0 3 193.294 2.117 10 0 AEAEHN CC[C@@H](N)c1nc2cc(F)ccc2[nH]1 37439077 571779565 /nfs/dbraw/zinc/77/95/65/571779565.db2.gz ZDOLQMBANCZKSK-SSDOTTSWSA-N 0 3 193.225 2.112 10 0 AEAEHN CC(C)C[C@@H](C)Cn1cc(CN)cn1 301008819 571779594 /nfs/dbraw/zinc/77/95/94/571779594.db2.gz YJINZRGZYMICDT-SNVBAGLBSA-N 0 3 195.310 2.024 10 0 AEAEHN CCN(Cc1[nH]cnc1C)C(C)(C)C 687722012 571779666 /nfs/dbraw/zinc/77/96/66/571779666.db2.gz WHEILNDHVKLGRS-UHFFFAOYSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](N)c1nc2cc(F)ccc2[nH]1 37439075 571780068 /nfs/dbraw/zinc/78/00/68/571780068.db2.gz ZDOLQMBANCZKSK-ZETCQYMHSA-N 0 3 193.225 2.112 10 0 AEAEHN CC(C)C[C@H](C)Cn1cc(CN)cn1 301008816 571780137 /nfs/dbraw/zinc/78/01/37/571780137.db2.gz YJINZRGZYMICDT-JTQLQIEISA-N 0 3 195.310 2.024 10 0 AEAEHN CCC1(O)CN(C[C@H](C)CC(C)C)C1 301010469 571783458 /nfs/dbraw/zinc/78/34/58/571783458.db2.gz YROSJDIIRPLACL-LLVKDONJSA-N 0 3 199.338 2.125 10 0 AEAEHN CC[C@H]1C[C@H]1n1cncc1C(C)(C)N 234156542 571784587 /nfs/dbraw/zinc/78/45/87/571784587.db2.gz ZREHDTHDXIPWCN-DTWKUNHWSA-N 0 3 193.294 2.048 10 0 AEAEHN CC[C@H]1C[C@@H]1n1cncc1C(C)(C)N 234171168 571786048 /nfs/dbraw/zinc/78/60/48/571786048.db2.gz ZREHDTHDXIPWCN-IUCAKERBSA-N 0 3 193.294 2.048 10 0 AEAEHN CCN1CC(C)(c2ccccc2)C1 2029442 571789858 /nfs/dbraw/zinc/78/98/58/571789858.db2.gz IBTFOUVBDTVISK-UHFFFAOYSA-N 0 3 175.275 2.280 10 0 AEAEHN CC(C)N1CC(c2ccccc2)C1 2029475 571789901 /nfs/dbraw/zinc/78/99/01/571789901.db2.gz ODSLIHMMZLMSNV-UHFFFAOYSA-N 0 3 175.275 2.494 10 0 AEAEHN CCN1CC(c2ccccc2)C1 2037897 571790678 /nfs/dbraw/zinc/79/06/78/571790678.db2.gz MWQYROZEYNBIDS-UHFFFAOYSA-N 0 3 161.248 2.106 10 0 AEAEHN COc1ccc2c(N)nc(C)cc2c1 140215764 571790637 /nfs/dbraw/zinc/79/06/37/571790637.db2.gz BIXDBUPMYYSVJW-UHFFFAOYSA-N 0 3 188.230 2.134 10 0 AEAEHN CNCc1cc2cc(F)ccc2cn1 140260656 571790715 /nfs/dbraw/zinc/79/07/15/571790715.db2.gz RGTBZSKMOQIUTP-UHFFFAOYSA-N 0 3 190.221 2.093 10 0 AEAEHN NC[C@@](F)(Cc1cccs1)C1CC1 158402573 571791306 /nfs/dbraw/zinc/79/13/06/571791306.db2.gz ONDFCAGLAGAGKW-JTQLQIEISA-N 0 3 199.294 2.368 10 0 AEAEHN C[C@H]1[C@H](C)CC[C@H]1NCc1cnoc1 687801546 571791326 /nfs/dbraw/zinc/79/13/26/571791326.db2.gz XLHUGZWYUKXJSG-WCABBAIRSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@@H]1[C@@H](NCc2cnoc2)CC[C@H]1C 687801547 571791381 /nfs/dbraw/zinc/79/13/81/571791381.db2.gz XLHUGZWYUKXJSG-YWVKMMECSA-N 0 3 194.278 2.199 10 0 AEAEHN CCN(CC)C[C@H](O)c1cccs1 19784810 571791542 /nfs/dbraw/zinc/79/15/42/571791542.db2.gz PRJJRWPYLPYGII-VIFPVBQESA-N 0 3 199.319 2.123 10 0 AEAEHN Cc1ccc2onc([C@@H](C)N)c2c1 19946350 571791907 /nfs/dbraw/zinc/79/19/07/571791907.db2.gz MCQNXVRTXMXZEX-SSDOTTSWSA-N 0 3 176.219 2.156 10 0 AEAEHN Cc1ccc2onc([C@H](C)N)c2c1 19946353 571792915 /nfs/dbraw/zinc/79/29/15/571792915.db2.gz MCQNXVRTXMXZEX-ZETCQYMHSA-N 0 3 176.219 2.156 10 0 AEAEHN Cc1cc(C)c2onc([C@@H](C)N)c2c1 19946362 571792963 /nfs/dbraw/zinc/79/29/63/571792963.db2.gz CTBVARHYJGDZBI-MRVPVSSYSA-N 0 3 190.246 2.464 10 0 AEAEHN CCN(CC)C[C@@H](O)c1cccs1 19784809 571793443 /nfs/dbraw/zinc/79/34/43/571793443.db2.gz PRJJRWPYLPYGII-SECBINFHSA-N 0 3 199.319 2.123 10 0 AEAEHN CCc1ccc2onc([C@@H](C)N)c2c1 19946356 571793581 /nfs/dbraw/zinc/79/35/81/571793581.db2.gz GYXWWZCGUSCQRP-SSDOTTSWSA-N 0 3 190.246 2.410 10 0 AEAEHN C[C@@](F)(CN)CCc1ccccc1F 219905981 571793668 /nfs/dbraw/zinc/79/36/68/571793668.db2.gz CMQCDTOWVQFRSZ-NSHDSACASA-N 0 3 199.244 2.445 10 0 AEAEHN Cc1cc(C)c2onc([C@H](C)N)c2c1 19946365 571794012 /nfs/dbraw/zinc/79/40/12/571794012.db2.gz CTBVARHYJGDZBI-QMMMGPOBSA-N 0 3 190.246 2.464 10 0 AEAEHN CCc1ccc2onc([C@H](C)N)c2c1 19946359 571794255 /nfs/dbraw/zinc/79/42/55/571794255.db2.gz GYXWWZCGUSCQRP-ZETCQYMHSA-N 0 3 190.246 2.410 10 0 AEAEHN CCCN(C)[C@H](c1ccco1)[C@H](C)N 249737231 571794262 /nfs/dbraw/zinc/79/42/62/571794262.db2.gz CEQYZDCXYOANMN-ONGXEEELSA-N 0 3 196.294 2.010 10 0 AEAEHN CCCN(C)[C@@H](c1ccco1)[C@H](C)N 249737228 571795232 /nfs/dbraw/zinc/79/52/32/571795232.db2.gz CEQYZDCXYOANMN-GXSJLCMTSA-N 0 3 196.294 2.010 10 0 AEAEHN CC(C)Sc1ccc(CN)cn1 37687270 571795353 /nfs/dbraw/zinc/79/53/53/571795353.db2.gz BOOXLEVAGCCERD-UHFFFAOYSA-N 0 3 182.292 2.041 10 0 AEAEHN NCc1sc2c(c1Cl)CCC2 214509713 571795705 /nfs/dbraw/zinc/79/57/05/571795705.db2.gz PKVMARQPPAJTQW-UHFFFAOYSA-N 0 3 187.695 2.349 10 0 AEAEHN CC(C)n1ncc([C@@H](C)N)c1Cl 214508942 571796037 /nfs/dbraw/zinc/79/60/37/571796037.db2.gz HVNMKLUMLFBCCZ-ZCFIWIBFSA-N 0 3 187.674 2.137 10 0 AEAEHN CCn1ccnc1NC[C@H]1CC1(C)C 234190119 571796093 /nfs/dbraw/zinc/79/60/93/571796093.db2.gz BSYPMTIYEOVVCW-SECBINFHSA-N 0 3 193.294 2.361 10 0 AEAEHN CCn1ccnc1NC[C@@H]1CC1(C)C 234189543 571797179 /nfs/dbraw/zinc/79/71/79/571797179.db2.gz BSYPMTIYEOVVCW-VIFPVBQESA-N 0 3 193.294 2.361 10 0 AEAEHN CC(C)CCCN(C)CCF 143292005 571797391 /nfs/dbraw/zinc/79/73/91/571797391.db2.gz UOEFNQDEIWTHIY-UHFFFAOYSA-N 0 3 161.264 2.324 10 0 AEAEHN CC(C)n1ncc([C@H](C)N)c1Cl 214508998 571797546 /nfs/dbraw/zinc/79/75/46/571797546.db2.gz HVNMKLUMLFBCCZ-LURJTMIESA-N 0 3 187.674 2.137 10 0 AEAEHN Cc1cc(CN(C)C)c(C)cc1O 2600069 571803679 /nfs/dbraw/zinc/80/36/79/571803679.db2.gz UXJAGSSVZDVPFB-UHFFFAOYSA-N 0 3 179.263 2.071 10 0 AEAEHN C[C@@H]1CNCc2ccc(F)cc21 72209289 571801252 /nfs/dbraw/zinc/80/12/52/571801252.db2.gz FXMRKUGOALTTGZ-SSDOTTSWSA-N 0 3 165.211 2.032 10 0 AEAEHN CNCc1cscc1C(C)(C)OC 301023216 571801612 /nfs/dbraw/zinc/80/16/12/571801612.db2.gz QRZDYRFWTJUKQV-UHFFFAOYSA-N 0 3 199.319 2.349 10 0 AEAEHN Cc1ccc(C(=O)CCN(C)C)s1 39258382 571801703 /nfs/dbraw/zinc/80/17/03/571801703.db2.gz VAYTZULKJRMWRB-UHFFFAOYSA-N 0 3 197.303 2.191 10 0 AEAEHN C[C@@H]1CNCc2c(F)cccc21 72209287 571801794 /nfs/dbraw/zinc/80/17/94/571801794.db2.gz NQPUTVGJSBNNQN-SSDOTTSWSA-N 0 3 165.211 2.032 10 0 AEAEHN CC(=O)[C@@H](C)N(C)[C@H](C)C(C)(C)C 251025926 571802428 /nfs/dbraw/zinc/80/24/28/571802428.db2.gz GTQJZFNQGWGQTO-PSASIEDQSA-N 0 3 185.311 2.330 10 0 AEAEHN CC(=O)[C@H](C)N(C)[C@H](C)C(C)(C)C 251025927 571802488 /nfs/dbraw/zinc/80/24/88/571802488.db2.gz GTQJZFNQGWGQTO-WCBMZHEXSA-N 0 3 185.311 2.330 10 0 AEAEHN C[C@H]1CNCc2ccc(F)cc21 72209290 571802966 /nfs/dbraw/zinc/80/29/66/571802966.db2.gz FXMRKUGOALTTGZ-ZETCQYMHSA-N 0 3 165.211 2.032 10 0 AEAEHN C[C@H]1CNCc2c(F)cccc21 72209288 571803926 /nfs/dbraw/zinc/80/39/26/571803926.db2.gz NQPUTVGJSBNNQN-ZETCQYMHSA-N 0 3 165.211 2.032 10 0 AEAEHN Cn1cncc1[C@@H](N)CCC(C)(C)C 74243050 571805092 /nfs/dbraw/zinc/80/50/92/571805092.db2.gz XUNIAYNQTCIIMK-VIFPVBQESA-N 0 3 195.310 2.246 10 0 AEAEHN Cc1ccncc1[C@@H](N)c1ccccc1 74237631 571808861 /nfs/dbraw/zinc/80/88/61/571808861.db2.gz NBJGXGZAUKFVQL-ZDUSSCGKSA-N 0 3 198.269 2.438 10 0 AEAEHN CC[C@@H](OC)[C@@H](N)c1ccc(F)cc1 74239844 571805346 /nfs/dbraw/zinc/80/53/46/571805346.db2.gz FDCYBCMIFOSEOR-MNOVXSKESA-N 0 3 197.253 2.251 10 0 AEAEHN Cc1c[nH]c(NCC(C)(C)C)n1 235735142 571805428 /nfs/dbraw/zinc/80/54/28/571805428.db2.gz WSSSXQADAMQWPY-UHFFFAOYSA-N 0 3 167.256 2.176 10 0 AEAEHN Cn1cncc1[C@H](N)CCC(C)(C)C 74243051 571805701 /nfs/dbraw/zinc/80/57/01/571805701.db2.gz XUNIAYNQTCIIMK-SECBINFHSA-N 0 3 195.310 2.246 10 0 AEAEHN CC[C@H](OC)[C@H](N)c1ccc(F)cc1 74239840 571806333 /nfs/dbraw/zinc/80/63/33/571806333.db2.gz FDCYBCMIFOSEOR-WDEREUQCSA-N 0 3 197.253 2.251 10 0 AEAEHN Cc1ccncc1[C@H](N)c1ccccc1 74237628 571806617 /nfs/dbraw/zinc/80/66/17/571806617.db2.gz NBJGXGZAUKFVQL-CYBMUJFWSA-N 0 3 198.269 2.438 10 0 AEAEHN Cn1nccc1[C@H](N)CCC(C)(C)C 74243045 571806623 /nfs/dbraw/zinc/80/66/23/571806623.db2.gz VMMLCAGFPYJBIP-SECBINFHSA-N 0 3 195.310 2.246 10 0 AEAEHN Cc1c[nH]c(NCCC(F)(F)F)n1 235735305 571806653 /nfs/dbraw/zinc/80/66/53/571806653.db2.gz NUNUHTGSUJVZRI-UHFFFAOYSA-N 0 3 193.172 2.082 10 0 AEAEHN CCC(=O)CN(C)[C@H]1CCCC[C@H]1C 251231483 571807815 /nfs/dbraw/zinc/80/78/15/571807815.db2.gz QHQJNUSTNVQLDC-PWSUYJOCSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](OC)[C@H](N)c1ccc(F)cc1 74239842 571808111 /nfs/dbraw/zinc/80/81/11/571808111.db2.gz FDCYBCMIFOSEOR-GHMZBOCLSA-N 0 3 197.253 2.251 10 0 AEAEHN C[C@]1(CNc2ncc[nH]2)CCCS1 235740989 571808769 /nfs/dbraw/zinc/80/87/69/571808769.db2.gz YMQVONYHOUHZOI-SECBINFHSA-N 0 3 197.307 2.107 10 0 AEAEHN CC[C@H](OC)[C@@H](N)c1ccc(F)cc1 74239843 571808940 /nfs/dbraw/zinc/80/89/40/571808940.db2.gz FDCYBCMIFOSEOR-QWRGUYRKSA-N 0 3 197.253 2.251 10 0 AEAEHN Cn1nccc1[C@@H](N)CCC(C)(C)C 74243044 571809058 /nfs/dbraw/zinc/80/90/58/571809058.db2.gz VMMLCAGFPYJBIP-VIFPVBQESA-N 0 3 195.310 2.246 10 0 AEAEHN CCC(=O)CN(C)[C@@H]1CCCC[C@H]1C 251231485 571809504 /nfs/dbraw/zinc/80/95/04/571809504.db2.gz QHQJNUSTNVQLDC-ZYHUDNBSSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC(=O)CN1CCC[C@@H](C)[C@H]1C 251268585 571810397 /nfs/dbraw/zinc/81/03/97/571810397.db2.gz DTRIRYIKWTZQHA-GHMZBOCLSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)[C@@H](C)N(C)C(C)(C)C 143437669 571811043 /nfs/dbraw/zinc/81/10/43/571811043.db2.gz GRCYGJNVXJTDJX-MRVPVSSYSA-N 0 3 171.284 2.084 10 0 AEAEHN CCCC(=O)CN1CCC[C@H](C)[C@H]1C 251268589 571811548 /nfs/dbraw/zinc/81/15/48/571811548.db2.gz DTRIRYIKWTZQHA-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN c1ccc2c(c1)CNCc1cccn1-2 3602055 571812099 /nfs/dbraw/zinc/81/20/99/571812099.db2.gz DGNYJUFFMJDSPY-UHFFFAOYSA-N 0 3 184.242 2.081 10 0 AEAEHN CC(C)C[C@@H](C)N(C)[C@H]1CCCC1=O 251389223 571813344 /nfs/dbraw/zinc/81/33/44/571813344.db2.gz JIARRXKJKRLYCM-MNOVXSKESA-N 0 3 197.322 2.474 10 0 AEAEHN CC(C)C[C@H](C)N(C)[C@H]1CCCC1=O 251389224 571813828 /nfs/dbraw/zinc/81/38/28/571813828.db2.gz JIARRXKJKRLYCM-QWRGUYRKSA-N 0 3 197.322 2.474 10 0 AEAEHN CCCC(=O)CN1CC[C@H](C)C[C@H]1C 251382385 571815718 /nfs/dbraw/zinc/81/57/18/571815718.db2.gz WHNWGKLHSDHDCR-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@H](C)O[C@H](c1ccco1)[C@H](C)N 251393878 571814817 /nfs/dbraw/zinc/81/48/17/571814817.db2.gz XJWJFKQUNLPZKE-QXEWZRGKSA-N 0 3 197.278 2.483 10 0 AEAEHN CC(=O)[C@@H](C)N(C)[C@H](C)CC(C)C 251387420 571815020 /nfs/dbraw/zinc/81/50/20/571815020.db2.gz IXRRLABXPGTHAR-NXEZZACHSA-N 0 3 185.311 2.330 10 0 AEAEHN c1csc([C@H]2CCCCCN2)n1 3735106 571815173 /nfs/dbraw/zinc/81/51/73/571815173.db2.gz KJOZUDUXXNRPFF-MRVPVSSYSA-N 0 3 182.292 2.348 10 0 AEAEHN CC[C@H](C)O[C@@H](c1ccco1)[C@H](C)N 251393876 571815764 /nfs/dbraw/zinc/81/57/64/571815764.db2.gz XJWJFKQUNLPZKE-ATZCPNFKSA-N 0 3 197.278 2.483 10 0 AEAEHN CCSC[C@H](C)NCc1ccc[nH]1 219441229 571819007 /nfs/dbraw/zinc/81/90/07/571819007.db2.gz IFARZQYDMHEEKH-VIFPVBQESA-N 0 3 198.335 2.246 10 0 AEAEHN CCCC(=O)CN1CC[C@@H](C)C[C@H]1C 251382381 571816722 /nfs/dbraw/zinc/81/67/22/571816722.db2.gz WHNWGKLHSDHDCR-GHMZBOCLSA-N 0 3 197.322 2.476 10 0 AEAEHN CN1CC[C@@H](CF)[C@@H]1c1cccnc1 3801821 571817498 /nfs/dbraw/zinc/81/74/98/571817498.db2.gz PLOSIAMCLIOVAZ-GXSJLCMTSA-N 0 3 194.253 2.044 10 0 AEAEHN Cc1ccc([C@H]2CCCCN2)nc1 3734831 571817855 /nfs/dbraw/zinc/81/78/55/571817855.db2.gz UBEYLLAMWPJTMM-SNVBAGLBSA-N 0 3 176.263 2.205 10 0 AEAEHN Cc1cccc(CNC(C)(C)C)n1 37927149 571818016 /nfs/dbraw/zinc/81/80/16/571818016.db2.gz IVTSBEQMORYFKM-UHFFFAOYSA-N 0 3 178.279 2.278 10 0 AEAEHN c1csc([C@@H]2CCCCCN2)n1 3735107 571818586 /nfs/dbraw/zinc/81/85/86/571818586.db2.gz KJOZUDUXXNRPFF-QMMMGPOBSA-N 0 3 182.292 2.348 10 0 AEAEHN CC[C@@H](C)CN(C)Cc1[nH]cnc1C 687802247 571821647 /nfs/dbraw/zinc/82/16/47/571821647.db2.gz NJADMLWKCKCDCC-SECBINFHSA-N 0 3 195.310 2.196 10 0 AEAEHN CC[C@@H](C)N(C)Cc1cnc(C)cn1 687802276 571819972 /nfs/dbraw/zinc/81/99/72/571819972.db2.gz LMSPSPRKYNDCAA-SNVBAGLBSA-N 0 3 193.294 2.015 10 0 AEAEHN C[C@H](N)c1ccc([C@@H]2C[C@H]2C)o1 251777296 571821714 /nfs/dbraw/zinc/82/17/14/571821714.db2.gz FIXRCZFOHYWZHF-GJMOJQLCSA-N 0 3 165.236 2.423 10 0 AEAEHN CC[C@H](C)N(C)Cc1cnc(C)cn1 687802275 571821855 /nfs/dbraw/zinc/82/18/55/571821855.db2.gz LMSPSPRKYNDCAA-JTQLQIEISA-N 0 3 193.294 2.015 10 0 AEAEHN Cc1cn(C2(C)CCCCC2)c(N)n1 687801932 571821993 /nfs/dbraw/zinc/82/19/93/571821993.db2.gz ZZFOHXNQRKEVSG-UHFFFAOYSA-N 0 3 193.294 2.453 10 0 AEAEHN CC[C@H](C)CN(C)Cc1[nH]cnc1C 687802248 571822022 /nfs/dbraw/zinc/82/20/22/571822022.db2.gz NJADMLWKCKCDCC-VIFPVBQESA-N 0 3 195.310 2.196 10 0 AEAEHN CC[C@@H](F)CN(C)CCCSC 393335886 571822510 /nfs/dbraw/zinc/82/25/10/571822510.db2.gz DITFJBLFJIYSNZ-SECBINFHSA-N 0 3 193.331 2.419 10 0 AEAEHN CCn1nccc1[C@H]1CCC[C@H](C)N1 234209898 571822848 /nfs/dbraw/zinc/82/28/48/571822848.db2.gz VJAIBIZKPHFLGK-VHSXEESVSA-N 0 3 193.294 2.106 10 0 AEAEHN CCC[C@@H](C)N(C)Cc1[nH]cnc1C 687802432 571823290 /nfs/dbraw/zinc/82/32/90/571823290.db2.gz ZRAZHMLAIBMVAG-SECBINFHSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](C)[C@@H](NC)c1ccns1 401136521 571823523 /nfs/dbraw/zinc/82/35/23/571823523.db2.gz ZEFNZRBRKVFLTQ-IONNQARKSA-N 0 3 184.308 2.450 10 0 AEAEHN CC[C@H](C)[C@H](C)N[C@H](C)c1cc[nH]n1 251949405 571823606 /nfs/dbraw/zinc/82/36/06/571823606.db2.gz UGDHEHMMWZBHQR-LPEHRKFASA-N 0 3 195.310 2.495 10 0 AEAEHN CC[C@H](F)CN(C)CCCSC 393335887 571823768 /nfs/dbraw/zinc/82/37/68/571823768.db2.gz DITFJBLFJIYSNZ-VIFPVBQESA-N 0 3 193.331 2.419 10 0 AEAEHN CC[C@H](C)[C@@H](C)N[C@H](C)c1cc[nH]n1 251949404 571825362 /nfs/dbraw/zinc/82/53/62/571825362.db2.gz UGDHEHMMWZBHQR-IVZWLZJFSA-N 0 3 195.310 2.495 10 0 AEAEHN CC[C@@H](C)N(CC)[C@H](C)C(C)=O 252426768 571832078 /nfs/dbraw/zinc/83/20/78/571832078.db2.gz WCLIXXLYRUTQHF-RKDXNWHRSA-N 0 3 171.284 2.084 10 0 AEAEHN CCn1nccc1[C@H]1CCC[C@@H](C)N1 234209808 571825881 /nfs/dbraw/zinc/82/58/81/571825881.db2.gz VJAIBIZKPHFLGK-NXEZZACHSA-N 0 3 193.294 2.106 10 0 AEAEHN CC[C@@H](C)[C@H](NC)c1ccns1 401136518 571826165 /nfs/dbraw/zinc/82/61/65/571826165.db2.gz ZEFNZRBRKVFLTQ-APPZFPTMSA-N 0 3 184.308 2.450 10 0 AEAEHN CC[C@@H](C)[C@@H](NC)c1ccns1 401136522 571826285 /nfs/dbraw/zinc/82/62/85/571826285.db2.gz ZEFNZRBRKVFLTQ-VXNVDRBHSA-N 0 3 184.308 2.450 10 0 AEAEHN CC[C@H](C)[C@H](NC)c1ccns1 401136520 571826634 /nfs/dbraw/zinc/82/66/34/571826634.db2.gz ZEFNZRBRKVFLTQ-CBAPKCEASA-N 0 3 184.308 2.450 10 0 AEAEHN CCC[C@H](C)N(C)Cc1[nH]cnc1C 687802433 571826681 /nfs/dbraw/zinc/82/66/81/571826681.db2.gz ZRAZHMLAIBMVAG-VIFPVBQESA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@H]1[C@@H](c2ccccc2)OC(=N)N1C 4777929 571827194 /nfs/dbraw/zinc/82/71/94/571827194.db2.gz AINPTMZQNYUGDW-WPRPVWTQSA-N 0 3 190.246 2.013 10 0 AEAEHN C[C@@H]1[C@@H](c2ccccc2)OC(=N)N1C 4777928 571827826 /nfs/dbraw/zinc/82/78/26/571827826.db2.gz AINPTMZQNYUGDW-SCZZXKLOSA-N 0 3 190.246 2.013 10 0 AEAEHN Cc1ccoc1[C@H](N)CCOC(C)C 686225089 571828173 /nfs/dbraw/zinc/82/81/73/571828173.db2.gz VZOWFGIJSAMHND-SNVBAGLBSA-N 0 3 197.278 2.403 10 0 AEAEHN CC1(C)CCC[C@H]1NCc1cnoc1 687802951 571828806 /nfs/dbraw/zinc/82/88/06/571828806.db2.gz UVZXBQCAFLTMNT-SNVBAGLBSA-N 0 3 194.278 2.343 10 0 AEAEHN Cc1ccoc1[C@@H](N)CCOC(C)C 686225088 571828948 /nfs/dbraw/zinc/82/89/48/571828948.db2.gz VZOWFGIJSAMHND-JTQLQIEISA-N 0 3 197.278 2.403 10 0 AEAEHN CCCC[C@H](N)c1ccc(F)cn1 78677773 571832642 /nfs/dbraw/zinc/83/26/42/571832642.db2.gz GYJZVBZRMRFKEB-VIFPVBQESA-N 0 3 182.242 2.411 10 0 AEAEHN CCC[C@H](C)N(C)[C@H]1CCCC1=O 252424294 571832937 /nfs/dbraw/zinc/83/29/37/571832937.db2.gz GJWRIDQIIVNKAJ-UWVGGRQHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@@H](C)CN(C)[C@H]1CCCCC1=O 252426079 571829450 /nfs/dbraw/zinc/82/94/50/571829450.db2.gz RYSFYLXQWJPCIB-MNOVXSKESA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)C(C)(C)CNCc1cnoc1 686225060 571829712 /nfs/dbraw/zinc/82/97/12/571829712.db2.gz SMTBOGHCJVIGJL-UHFFFAOYSA-N 0 3 196.294 2.446 10 0 AEAEHN CC[C@H](C)CN(C)[C@H]1CCCC1=O 252424269 571829777 /nfs/dbraw/zinc/82/97/77/571829777.db2.gz GFJHAZHZMJEDNP-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC1(C)CCC[C@@H]1NCc1cnoc1 687802950 571830693 /nfs/dbraw/zinc/83/06/93/571830693.db2.gz UVZXBQCAFLTMNT-JTQLQIEISA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@H](C)CN(C)[C@H]1CCCCC1=O 252426080 571830839 /nfs/dbraw/zinc/83/08/39/571830839.db2.gz RYSFYLXQWJPCIB-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@H](C)N(CC)[C@H]1CCCC1=O 252424217 571833211 /nfs/dbraw/zinc/83/32/11/571833211.db2.gz FYAHPZWGHUMOFP-UWVGGRQHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@@H](C)N(CC)[C@H]1CCCC1=O 252424218 571831921 /nfs/dbraw/zinc/83/19/21/571831921.db2.gz FYAHPZWGHUMOFP-ZJUUUORDSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC[C@@H](C)N(C)[C@H](C)C(C)=O 252424959 571832127 /nfs/dbraw/zinc/83/21/27/571832127.db2.gz KLYUKBCGBGOJOT-RKDXNWHRSA-N 0 3 171.284 2.084 10 0 AEAEHN CCC[C@@H](C)N(C)[C@H]1CCCC1=O 252424295 571832442 /nfs/dbraw/zinc/83/24/42/571832442.db2.gz GJWRIDQIIVNKAJ-ZJUUUORDSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@@H](C)CN(C)[C@H]1CCCC1=O 252424270 571832802 /nfs/dbraw/zinc/83/28/02/571832802.db2.gz GFJHAZHZMJEDNP-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@H](C)N(C)[C@H](C)C(C)=O 252424958 571833157 /nfs/dbraw/zinc/83/31/57/571833157.db2.gz KLYUKBCGBGOJOT-DTWKUNHWSA-N 0 3 171.284 2.084 10 0 AEAEHN CC[C@@H](C)N(C)[C@H](CN)c1ccco1 252435340 571834243 /nfs/dbraw/zinc/83/42/43/571834243.db2.gz JIVWPXSBICNAAO-NXEZZACHSA-N 0 3 196.294 2.010 10 0 AEAEHN CCCC[C@@H](N)c1ccc(F)cn1 78677774 571834593 /nfs/dbraw/zinc/83/45/93/571834593.db2.gz GYJZVBZRMRFKEB-SECBINFHSA-N 0 3 182.242 2.411 10 0 AEAEHN CCn1ccnc1[C@@H]1CCC[C@@H](C)N1 234217699 571836218 /nfs/dbraw/zinc/83/62/18/571836218.db2.gz AARZMYONMFZSNF-ZJUUUORDSA-N 0 3 193.294 2.106 10 0 AEAEHN CCn1ccnc1[C@@H]1CCC[C@H](C)N1 234217786 571836234 /nfs/dbraw/zinc/83/62/34/571836234.db2.gz AARZMYONMFZSNF-UWVGGRQHSA-N 0 3 193.294 2.106 10 0 AEAEHN CC[C@H](C)N(C)[C@H](CN)c1ccco1 252435341 571837893 /nfs/dbraw/zinc/83/78/93/571837893.db2.gz JIVWPXSBICNAAO-VHSXEESVSA-N 0 3 196.294 2.010 10 0 AEAEHN CCc1ccc([C@@H]2CC=CCN2)cn1 38337445 571843715 /nfs/dbraw/zinc/84/37/15/571843715.db2.gz OMFPPNJCZBQQEE-LBPRGKRZSA-N 0 3 188.274 2.235 10 0 AEAEHN CC(N)SCc1ccccc1 334138915 571840982 /nfs/dbraw/zinc/84/09/82/571840982.db2.gz QYLYJWBXCWWQAG-UHFFFAOYSA-N 0 3 166.269 2.388 10 0 AEAEHN CC[C@](C)(OC)[C@@H](N)c1cocc1C 385388497 571842913 /nfs/dbraw/zinc/84/29/13/571842913.db2.gz UKLWQIBANXJCIQ-QWRGUYRKSA-N 0 3 197.278 2.403 10 0 AEAEHN C[C@@H]1NC(C)(C)O[C@@H]1c1ccccc1 38338861 571843199 /nfs/dbraw/zinc/84/31/99/571843199.db2.gz GSJWOQQDBDJRHN-ONGXEEELSA-N 0 3 191.274 2.472 10 0 AEAEHN CCc1ccc([C@H]2CC=CCN2)cn1 38337446 571843602 /nfs/dbraw/zinc/84/36/02/571843602.db2.gz OMFPPNJCZBQQEE-GFCCVEGCSA-N 0 3 188.274 2.235 10 0 AEAEHN CC[C@@H]1CNC[C@H]([C@H](C)CC(C)C)O1 300717853 571848384 /nfs/dbraw/zinc/84/83/84/571848384.db2.gz YFXUOEMDXHAYDU-IJLUTSLNSA-N 0 3 199.338 2.436 10 0 AEAEHN CC1=NCCc2cc(C)ccc21 144000880 571844212 /nfs/dbraw/zinc/84/42/12/571844212.db2.gz NOSDHGBETGBBTM-UHFFFAOYSA-N 0 3 159.232 2.360 10 0 AEAEHN CCn1nccc1[C@@H]1CCC[C@@H](C)N1 234226352 571844552 /nfs/dbraw/zinc/84/45/52/571844552.db2.gz VJAIBIZKPHFLGK-ZJUUUORDSA-N 0 3 193.294 2.106 10 0 AEAEHN CC(=O)[C@@H](C(C)C)N1CCCCC1 143998528 571844566 /nfs/dbraw/zinc/84/45/66/571844566.db2.gz OTJWQTNGEIQLAB-LLVKDONJSA-N 0 3 183.295 2.086 10 0 AEAEHN CCn1nccc1[C@@H]1CCC[C@H](C)N1 234226445 571845098 /nfs/dbraw/zinc/84/50/98/571845098.db2.gz VJAIBIZKPHFLGK-UWVGGRQHSA-N 0 3 193.294 2.106 10 0 AEAEHN CC[C@@H]1CNC[C@H]([C@@H](C)CC(C)C)O1 300717854 571847083 /nfs/dbraw/zinc/84/70/83/571847083.db2.gz YFXUOEMDXHAYDU-QJPTWQEYSA-N 0 3 199.338 2.436 10 0 AEAEHN CC(C)[C@H]1N[C@@H](c2ccccc2)CO1 38363479 571847306 /nfs/dbraw/zinc/84/73/06/571847306.db2.gz VSVSVAPEZSLHAQ-NEPJUHHUSA-N 0 3 191.274 2.330 10 0 AEAEHN CC[C@@H](C)n1cnc(CNC(C)C)c1 300718681 571847617 /nfs/dbraw/zinc/84/76/17/571847617.db2.gz ATWKYFRSBVAUCJ-SNVBAGLBSA-N 0 3 195.310 2.352 10 0 AEAEHN CC[C@@H]1CNC[C@@H]([C@H](C)CC(C)C)O1 300717856 571847938 /nfs/dbraw/zinc/84/79/38/571847938.db2.gz YFXUOEMDXHAYDU-UTUOFQBUSA-N 0 3 199.338 2.436 10 0 AEAEHN CNCc1cn([C@@H](C)CC(C)C)cn1 300718878 571847961 /nfs/dbraw/zinc/84/79/61/571847961.db2.gz AXVXJBGOSNNQIJ-JTQLQIEISA-N 0 3 195.310 2.210 10 0 AEAEHN CCc1nc([C@H](C)CC)ncc1CN 300719110 571848776 /nfs/dbraw/zinc/84/87/76/571848776.db2.gz BDTOMWDWWIKMIN-MRVPVSSYSA-N 0 3 193.294 2.011 10 0 AEAEHN CO[C@@H]1C=CSC1[C@@H](N)C=C(C)C 725573139 571849056 /nfs/dbraw/zinc/84/90/56/571849056.db2.gz KFTGHUNELOGDJY-DTWKUNHWSA-N 0 3 198.311 2.087 10 0 AEAEHN CCCCCCNCc1cnoc1 70019929 571849613 /nfs/dbraw/zinc/84/96/13/571849613.db2.gz QFUGZRCTQMKNSJ-UHFFFAOYSA-N 0 3 182.267 2.345 10 0 AEAEHN CC[C@H](C)n1cnc(CNC(C)C)c1 300718680 571849750 /nfs/dbraw/zinc/84/97/50/571849750.db2.gz ATWKYFRSBVAUCJ-JTQLQIEISA-N 0 3 195.310 2.352 10 0 AEAEHN CCc1nc([C@@H](C)CC)ncc1CN 300719111 571849830 /nfs/dbraw/zinc/84/98/30/571849830.db2.gz BDTOMWDWWIKMIN-QMMMGPOBSA-N 0 3 193.294 2.011 10 0 AEAEHN CNCc1cn([C@H](C)CC(C)C)cn1 300718879 571850354 /nfs/dbraw/zinc/85/03/54/571850354.db2.gz AXVXJBGOSNNQIJ-SNVBAGLBSA-N 0 3 195.310 2.210 10 0 AEAEHN CCc1cccc(C2(N)CC2)c1OC 214650999 571851069 /nfs/dbraw/zinc/85/10/69/571851069.db2.gz GXFVIPNQNGOYGJ-UHFFFAOYSA-N 0 3 191.274 2.205 10 0 AEAEHN CCCNCc1cn(C(C)(C)C)cn1 300720113 571851571 /nfs/dbraw/zinc/85/15/71/571851571.db2.gz BXSVMANHHFPVBG-UHFFFAOYSA-N 0 3 195.310 2.138 10 0 AEAEHN CC(C)NCSC(C)C 144179128 571852788 /nfs/dbraw/zinc/85/27/88/571852788.db2.gz PHJCMRDNRZIVPF-UHFFFAOYSA-N 0 3 147.287 2.084 10 0 AEAEHN C/C=C\CN1[C@H](C)CSC[C@H]1C 379312174 571853623 /nfs/dbraw/zinc/85/36/23/571853623.db2.gz WSLYZPUCRSQZQI-BYIQDMNASA-N 0 3 185.336 2.388 10 0 AEAEHN CCCNCc1cn(C2CCC2)cn1 300722777 571855425 /nfs/dbraw/zinc/85/54/25/571855425.db2.gz DJHRMDAZUPDUHC-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN COc1c(C2(N)CC2)ccc(C)c1C 214651449 571853729 /nfs/dbraw/zinc/85/37/29/571853729.db2.gz WREMSVTWDHAJOE-UHFFFAOYSA-N 0 3 191.274 2.260 10 0 AEAEHN Cc1sccc1CN(C)C 38665466 571853768 /nfs/dbraw/zinc/85/37/68/571853768.db2.gz BQEHINYVDCKWBN-UHFFFAOYSA-N 0 3 155.266 2.118 10 0 AEAEHN CN(C)Cc1ccccc1NC1CC1 234240970 571854572 /nfs/dbraw/zinc/85/45/72/571854572.db2.gz ZWGCLFSFVOROFL-UHFFFAOYSA-N 0 3 190.290 2.323 10 0 AEAEHN C/C=C\CN1[C@@H](C)CSC[C@H]1C 379312175 571854581 /nfs/dbraw/zinc/85/45/81/571854581.db2.gz WSLYZPUCRSQZQI-QOYVELHUSA-N 0 3 185.336 2.388 10 0 AEAEHN CCC[C@@H](CC)n1cnc(CNC)c1 300722830 571855401 /nfs/dbraw/zinc/85/54/01/571855401.db2.gz DLWDPHYSUCLZLC-LLVKDONJSA-N 0 3 195.310 2.354 10 0 AEAEHN COc1ccc(C)c(C)c1C1(N)CC1 214651367 571855413 /nfs/dbraw/zinc/85/54/13/571855413.db2.gz YTEXBNIHBOLCOA-UHFFFAOYSA-N 0 3 191.274 2.260 10 0 AEAEHN CC[C@@H]1C[C@H]1n1cncc1C(C)(C)N 233926544 571855537 /nfs/dbraw/zinc/85/55/37/571855537.db2.gz ZREHDTHDXIPWCN-RKDXNWHRSA-N 0 3 193.294 2.048 10 0 AEAEHN CCCNCc1cncnc1C(C)C 300722534 571855656 /nfs/dbraw/zinc/85/56/56/571855656.db2.gz DHKQKGJAABOLLW-UHFFFAOYSA-N 0 3 193.294 2.100 10 0 AEAEHN CCc1c(N)cc(C)c2[nH]cnc12 38842360 571857316 /nfs/dbraw/zinc/85/73/16/571857316.db2.gz RDUZGVDLZMRQQK-UHFFFAOYSA-N 0 3 175.235 2.016 10 0 AEAEHN CCc1c(N)cc(C)c2nc[nH]c12 38842360 571857319 /nfs/dbraw/zinc/85/73/19/571857319.db2.gz RDUZGVDLZMRQQK-UHFFFAOYSA-N 0 3 175.235 2.016 10 0 AEAEHN CCC[C@H](CC)n1cnc(CNC)c1 300722831 571856211 /nfs/dbraw/zinc/85/62/11/571856211.db2.gz DLWDPHYSUCLZLC-NSHDSACASA-N 0 3 195.310 2.354 10 0 AEAEHN CC(C)(C)C[C@](F)(CN)C1CC1 713124192 571856276 /nfs/dbraw/zinc/85/62/76/571856276.db2.gz HLLZOXZDARGLMN-JTQLQIEISA-N 0 3 173.275 2.500 10 0 AEAEHN C[C@@H]1CCC[C@H](Nc2ncc[nH]2)C1 235380601 571856669 /nfs/dbraw/zinc/85/66/69/571856669.db2.gz VXDYTZKZORXQEV-BDAKNGLRSA-N 0 3 179.267 2.400 10 0 AEAEHN CC(C)(C)C[C@@](F)(CN)C1CC1 713124200 571857120 /nfs/dbraw/zinc/85/71/20/571857120.db2.gz HLLZOXZDARGLMN-SNVBAGLBSA-N 0 3 173.275 2.500 10 0 AEAEHN CCNCc1cn([C@H](C)C(C)C)cn1 300725004 571858074 /nfs/dbraw/zinc/85/80/74/571858074.db2.gz FLLXPNQAKSQPMN-SNVBAGLBSA-N 0 3 195.310 2.210 10 0 AEAEHN CC(C)NCc1cncnc1C(C)C 300727858 571858095 /nfs/dbraw/zinc/85/80/95/571858095.db2.gz GWPYNHUBVPXTGQ-UHFFFAOYSA-N 0 3 193.294 2.098 10 0 AEAEHN CC(C)CC[C@H](C)n1cnc(CN)c1 300727138 571858475 /nfs/dbraw/zinc/85/84/75/571858475.db2.gz GLKGAKQHPOPPRY-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@@H]1CSC(NCC2(C)CC2)=N1 233936569 571858662 /nfs/dbraw/zinc/85/86/62/571858662.db2.gz ALEGBZUWJAUEBL-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN Cl/C=C/CN1CCCCC1 38853337 571858672 /nfs/dbraw/zinc/85/86/72/571858672.db2.gz BHUQRWSKYCJKDU-SNAWJCMRSA-N 0 3 159.660 2.225 10 0 AEAEHN CC(=O)[C@@H]1CCCCN1C(C)(C)C 147742508 571861283 /nfs/dbraw/zinc/86/12/83/571861283.db2.gz GTWMVGLVQDICAR-JTQLQIEISA-N 0 3 183.295 2.228 10 0 AEAEHN CCNCc1cn(CC(C)(C)C)cn1 300724661 571859595 /nfs/dbraw/zinc/85/95/95/571859595.db2.gz FHQGVUGNAVGBDQ-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CCNCc1cn([C@@H](C)C(C)C)cn1 300725002 571859705 /nfs/dbraw/zinc/85/97/05/571859705.db2.gz FLLXPNQAKSQPMN-JTQLQIEISA-N 0 3 195.310 2.210 10 0 AEAEHN CC(C)CC[C@@H](C)n1cnc(CN)c1 300727140 571859888 /nfs/dbraw/zinc/85/98/88/571859888.db2.gz GLKGAKQHPOPPRY-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CN[C@@H](c1ncccc1OC)C(C)C 234462920 571859970 /nfs/dbraw/zinc/85/99/70/571859970.db2.gz LPYJYDANHCBMCN-SNVBAGLBSA-N 0 3 194.278 2.007 10 0 AEAEHN CCC(C)(C)Cn1cnc(CNC)c1 300729073 571860416 /nfs/dbraw/zinc/86/04/16/571860416.db2.gz HLDDXTMYFYDBOY-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN COCCCCCNc1ccncc1 234654837 571860464 /nfs/dbraw/zinc/86/04/64/571860464.db2.gz KZDIKIDCSDOYEJ-UHFFFAOYSA-N 0 3 194.278 2.310 10 0 AEAEHN CNCc1cn([C@@H](C)C(C)(C)C)cn1 300726116 571862035 /nfs/dbraw/zinc/86/20/35/571862035.db2.gz FYATWSGPGDOUEA-VIFPVBQESA-N 0 3 195.310 2.210 10 0 AEAEHN CNCc1cn([C@H](C)C(C)(C)C)cn1 300726115 571862372 /nfs/dbraw/zinc/86/23/72/571862372.db2.gz FYATWSGPGDOUEA-SECBINFHSA-N 0 3 195.310 2.210 10 0 AEAEHN Cn1cccc/c1=N\c1ccccc1 6328393 571863425 /nfs/dbraw/zinc/86/34/25/571863425.db2.gz XSMDNUGISXCWQR-OUKQBFOZSA-N 0 3 184.242 2.258 10 0 AEAEHN CC(C)n1nccc1[C@@H](N)CC1CC1 300731673 571863443 /nfs/dbraw/zinc/86/34/43/571863443.db2.gz DWJJFVJDNIIQEL-JTQLQIEISA-N 0 3 193.294 2.264 10 0 AEAEHN CCNCc1cn(C2CCCC2)cn1 300730216 571864180 /nfs/dbraw/zinc/86/41/80/571864180.db2.gz IEROIPRSZCGPHG-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN CC(C)n1nccc1[C@H](N)CC1CC1 300731675 571865204 /nfs/dbraw/zinc/86/52/04/571865204.db2.gz DWJJFVJDNIIQEL-SNVBAGLBSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@@]1(CNc2ncc[nH]2)CCCS1 235388097 571865637 /nfs/dbraw/zinc/86/56/37/571865637.db2.gz YMQVONYHOUHZOI-VIFPVBQESA-N 0 3 197.307 2.107 10 0 AEAEHN c1cc2cncc3cc1=c23 39054503 571872850 /nfs/dbraw/zinc/87/28/50/571872850.db2.gz UJZIZMORJKHNID-UHFFFAOYSA-N 0 3 127.146 2.215 10 0 AEAEHN CCCC(=N)Nc1cc(CC)[nH]n1 38973522 571866042 /nfs/dbraw/zinc/86/60/42/571866042.db2.gz HQSNUSWUZCZYMS-UHFFFAOYSA-N 0 3 180.255 2.161 10 0 AEAEHN CCC1(O)CN(CCC2CCCC2)C1 300733761 571866817 /nfs/dbraw/zinc/86/68/17/571866817.db2.gz GNQFMVZPCLCXFQ-UHFFFAOYSA-N 0 3 197.322 2.023 10 0 AEAEHN CCC[C@H](C)n1cnc(CNCC)c1 300733291 571867384 /nfs/dbraw/zinc/86/73/84/571867384.db2.gz JVNAAFZQVRPUOD-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CC(C)(C)NCc1cn(C2CC2)cn1 300733324 571867709 /nfs/dbraw/zinc/86/77/09/571867709.db2.gz JWBVLBSEZIKWFU-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN CCN[C@@H](C)c1ccnn1C(C)C 300737262 571867892 /nfs/dbraw/zinc/86/78/92/571867892.db2.gz GSFPVLQGJIOASP-VIFPVBQESA-N 0 3 181.283 2.135 10 0 AEAEHN CC(C)n1cnc(CNC(C)(C)C)c1 300738383 571868119 /nfs/dbraw/zinc/86/81/19/571868119.db2.gz MEOAUELIGVITGX-UHFFFAOYSA-N 0 3 195.310 2.352 10 0 AEAEHN CCN[C@H](C)c1ccnn1C(C)C 300737261 571868642 /nfs/dbraw/zinc/86/86/42/571868642.db2.gz GSFPVLQGJIOASP-SECBINFHSA-N 0 3 181.283 2.135 10 0 AEAEHN CCC[C@@H](C)n1cnc(CNCC)c1 300733293 571869159 /nfs/dbraw/zinc/86/91/59/571869159.db2.gz JVNAAFZQVRPUOD-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CCCC(C)(C)n1cnc(CNC)c1 300736054 571869507 /nfs/dbraw/zinc/86/95/07/571869507.db2.gz LDJKNXRDFDHYKG-UHFFFAOYSA-N 0 3 195.310 2.138 10 0 AEAEHN CCC(CC)(CC)n1cnc(CN)c1 300739914 571869880 /nfs/dbraw/zinc/86/98/80/571869880.db2.gz MWRIDXKDKBRNHH-UHFFFAOYSA-N 0 3 195.310 2.267 10 0 AEAEHN CC[C@H](C)[C@@H](C)n1cnc(CNC)c1 300742542 571869953 /nfs/dbraw/zinc/86/99/53/571869953.db2.gz NUVIHHOOXZALIR-VHSXEESVSA-N 0 3 195.310 2.210 10 0 AEAEHN CC[C@@H](C)[C@@H](C)n1cnc(CNC)c1 300742539 571870722 /nfs/dbraw/zinc/87/07/22/571870722.db2.gz NUVIHHOOXZALIR-NXEZZACHSA-N 0 3 195.310 2.210 10 0 AEAEHN CC[C@H](C)[C@H](C)n1cnc(CNC)c1 300742541 571871439 /nfs/dbraw/zinc/87/14/39/571871439.db2.gz NUVIHHOOXZALIR-UWVGGRQHSA-N 0 3 195.310 2.210 10 0 AEAEHN CCCNCc1cn([C@@H](C)CC)cn1 300739291 571872377 /nfs/dbraw/zinc/87/23/77/571872377.db2.gz MPJGMCQOWXUIOK-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCC[C@H](N)c1ccnn1C(C)C 300747577 571872824 /nfs/dbraw/zinc/87/28/24/571872824.db2.gz JFDOABCOOIELCY-VIFPVBQESA-N 0 3 181.283 2.264 10 0 AEAEHN CCCC[C@@H](C)n1cnc(CNC)c1 300741496 571873485 /nfs/dbraw/zinc/87/34/85/571873485.db2.gz NMIBNRDUPNBXDO-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CC(C)CCCCn1cnc(CN)c1 300741102 571873594 /nfs/dbraw/zinc/87/35/94/571873594.db2.gz NHYLAMOLLPLQET-UHFFFAOYSA-N 0 3 195.310 2.168 10 0 AEAEHN CCC(CC)[C@@H](C)n1cnc(CN)c1 300748523 571874207 /nfs/dbraw/zinc/87/42/07/571874207.db2.gz QEYSNMQYAXEWSM-SECBINFHSA-N 0 3 195.310 2.339 10 0 AEAEHN CCCC[C@H](C)n1cnc(CNC)c1 300741495 571874270 /nfs/dbraw/zinc/87/42/70/571874270.db2.gz NMIBNRDUPNBXDO-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCC(CC)[C@H](C)n1cnc(CN)c1 300748524 571874386 /nfs/dbraw/zinc/87/43/86/571874386.db2.gz QEYSNMQYAXEWSM-VIFPVBQESA-N 0 3 195.310 2.339 10 0 AEAEHN CCC(C)(CC)n1cnc(CNC)c1 300741119 571875033 /nfs/dbraw/zinc/87/50/33/571875033.db2.gz NIPDUIDJUYQQSN-UHFFFAOYSA-N 0 3 195.310 2.138 10 0 AEAEHN CC1(OCCC2CCCCC2)CNC1 300750263 571875782 /nfs/dbraw/zinc/87/57/82/571875782.db2.gz KVVRHWPBHKIGSR-UHFFFAOYSA-N 0 3 197.322 2.335 10 0 AEAEHN CCCCC[C@@H](C)n1cnc(CN)c1 300751221 571878772 /nfs/dbraw/zinc/87/87/72/571878772.db2.gz RKCFFYUVNDEBEP-SNVBAGLBSA-N 0 3 195.310 2.483 10 0 AEAEHN CCC[C@@H](N)c1ccnn1C(C)C 300747164 571876559 /nfs/dbraw/zinc/87/65/59/571876559.db2.gz JFDOABCOOIELCY-SECBINFHSA-N 0 3 181.283 2.264 10 0 AEAEHN CC(C)C(C)(C)Cn1cnc(CN)c1 300745617 571877274 /nfs/dbraw/zinc/87/72/74/571877274.db2.gz OXDJQACLKQSFLO-UHFFFAOYSA-N 0 3 195.310 2.024 10 0 AEAEHN C[C@@H](Cn1cnc(CN)c1)C(C)(C)C 300746985 571877298 /nfs/dbraw/zinc/87/72/98/571877298.db2.gz PKGYAHMGGCRNCT-VIFPVBQESA-N 0 3 195.310 2.024 10 0 AEAEHN CCNCc1cnc(C)nc1C(C)C 300743610 571877670 /nfs/dbraw/zinc/87/76/70/571877670.db2.gz OFYKMDYVIUXPKB-UHFFFAOYSA-N 0 3 193.294 2.018 10 0 AEAEHN CCNCc1cn(C(C)(C)CC)cn1 300751234 571878811 /nfs/dbraw/zinc/87/88/11/571878811.db2.gz RLCCRMMOZPYMMA-UHFFFAOYSA-N 0 3 195.310 2.138 10 0 AEAEHN CCCCC[C@H](C)n1cnc(CN)c1 300751220 571878986 /nfs/dbraw/zinc/87/89/86/571878986.db2.gz RKCFFYUVNDEBEP-JTQLQIEISA-N 0 3 195.310 2.483 10 0 AEAEHN CCCn1cnc(CNC(C)(C)C)c1 300756955 571881819 /nfs/dbraw/zinc/88/18/19/571881819.db2.gz UYWKATARERSWDP-UHFFFAOYSA-N 0 3 195.310 2.181 10 0 AEAEHN COC[C@@H](NC1CC1)c1ccccc1 234684773 571883686 /nfs/dbraw/zinc/88/36/86/571883686.db2.gz DESGITMCMMBWCZ-GFCCVEGCSA-N 0 3 191.274 2.126 10 0 AEAEHN c1ccc2c(c1)CN(C1CC1)C2 39081243 571884134 /nfs/dbraw/zinc/88/41/34/571884134.db2.gz XMZMBSSVHCEAEG-UHFFFAOYSA-N 0 3 159.232 2.165 10 0 AEAEHN CC(C)c1coc([C@@H](C)N)c1 39103172 571887202 /nfs/dbraw/zinc/88/72/02/571887202.db2.gz GFFWIOBWGBYDDE-SSDOTTSWSA-N 0 3 153.225 2.423 10 0 AEAEHN CC1=NCC(=C(C)C)C1 39094578 571887398 /nfs/dbraw/zinc/88/73/98/571887398.db2.gz AUQBQSAZMJQHEJ-UHFFFAOYSA-N 0 3 123.199 2.187 10 0 AEAEHN C[C@@H]1[C@@H](Nc2ncc[nH]2)CC[C@H]1C 300051102 571888138 /nfs/dbraw/zinc/88/81/38/571888138.db2.gz ZGZWQXPNIOQTBB-VGMNWLOBSA-N 0 3 179.267 2.256 10 0 AEAEHN CC[C@@H](C)c1ncc(CNC)c(C)n1 300760216 571888459 /nfs/dbraw/zinc/88/84/59/571888459.db2.gz WDUNLSRPXHGMRS-MRVPVSSYSA-N 0 3 193.294 2.018 10 0 AEAEHN CCNCc1cnc(C(C)C)nc1C 300759761 571888522 /nfs/dbraw/zinc/88/85/22/571888522.db2.gz VXFJRQNKOLYITD-UHFFFAOYSA-N 0 3 193.294 2.018 10 0 AEAEHN CC(C)C1=CC(=O)OC1C(C)C 39104311 571888796 /nfs/dbraw/zinc/88/87/96/571888796.db2.gz PWHIESNZEUBIDK-JTQLQIEISA-N 0 3 168.236 2.150 10 0 AEAEHN C[C@@H]1CCC[C@@H](Nc2ncc[nH]2)C1 300051010 571889340 /nfs/dbraw/zinc/88/93/40/571889340.db2.gz VXDYTZKZORXQEV-RKDXNWHRSA-N 0 3 179.267 2.400 10 0 AEAEHN CC[C@H](C)c1ncc(CNC)c(C)n1 300760219 571889380 /nfs/dbraw/zinc/88/93/80/571889380.db2.gz WDUNLSRPXHGMRS-QMMMGPOBSA-N 0 3 193.294 2.018 10 0 AEAEHN CC1(C)CCC[C@H]1Nc1ncc[nH]1 300050824 571890463 /nfs/dbraw/zinc/89/04/63/571890463.db2.gz OOOCDAGDVGXDIL-MRVPVSSYSA-N 0 3 179.267 2.400 10 0 AEAEHN CC(C)C1=CC(=O)OC1C(C)C 39104310 571890521 /nfs/dbraw/zinc/89/05/21/571890521.db2.gz PWHIESNZEUBIDK-SNVBAGLBSA-N 0 3 168.236 2.150 10 0 AEAEHN C[C@H]1[C@H](C)CC[C@H]1Nc1ncc[nH]1 300051101 571890547 /nfs/dbraw/zinc/89/05/47/571890547.db2.gz ZGZWQXPNIOQTBB-HRDYMLBCSA-N 0 3 179.267 2.256 10 0 AEAEHN CC[C@H](CC1CC1)n1cnc(CN)c1 300759264 571890596 /nfs/dbraw/zinc/89/05/96/571890596.db2.gz VSSYUEHYBWEDMY-LLVKDONJSA-N 0 3 193.294 2.093 10 0 AEAEHN CC1(C)CC[C@@H](Nc2ncc[nH]2)C1 300054266 571891467 /nfs/dbraw/zinc/89/14/67/571891467.db2.gz AAPKXXQGGRVESU-MRVPVSSYSA-N 0 3 179.267 2.400 10 0 AEAEHN C[C@@H]1CO[C@]2(N3CCCC3)CCC[C@H]12 39112499 571891556 /nfs/dbraw/zinc/89/15/56/571891556.db2.gz ZKKGVHWXVBEIQJ-IJLUTSLNSA-N 0 3 195.306 2.245 10 0 AEAEHN CN[C@H](c1ccnn1C(C)C)C1CC1 300762699 571891707 /nfs/dbraw/zinc/89/17/07/571891707.db2.gz NYJVELYIJBEXLB-NSHDSACASA-N 0 3 193.294 2.135 10 0 AEAEHN C[C@@H]1CO[C@@]2(N3CCCC3)CCC[C@H]12 39112497 571891719 /nfs/dbraw/zinc/89/17/19/571891719.db2.gz ZKKGVHWXVBEIQJ-UTUOFQBUSA-N 0 3 195.306 2.245 10 0 AEAEHN CN[C@@H](c1ccnn1C(C)C)C1CC1 300762697 571892252 /nfs/dbraw/zinc/89/22/52/571892252.db2.gz NYJVELYIJBEXLB-LLVKDONJSA-N 0 3 193.294 2.135 10 0 AEAEHN C[C@H]1CO[C@]2(N3CCCC3)CCC[C@H]12 39112500 571893037 /nfs/dbraw/zinc/89/30/37/571893037.db2.gz ZKKGVHWXVBEIQJ-QJPTWQEYSA-N 0 3 195.306 2.245 10 0 AEAEHN CC[C@H](C(C)C)n1cnc(CNC)c1 300761752 571893133 /nfs/dbraw/zinc/89/31/33/571893133.db2.gz WTLYVOHNFABKAR-LLVKDONJSA-N 0 3 195.310 2.210 10 0 AEAEHN Cc1c2n(c3ccccc13)CCNC2 39115209 571893311 /nfs/dbraw/zinc/89/33/11/571893311.db2.gz ODAUDQJTSPAXOC-UHFFFAOYSA-N 0 3 186.258 2.053 10 0 AEAEHN CSC[C@H](C)[C@H](N)c1ccco1 300761209 571894092 /nfs/dbraw/zinc/89/40/92/571894092.db2.gz MKOPCRAJJUFFET-CBAPKCEASA-N 0 3 185.292 2.279 10 0 AEAEHN CC[C@@H]1C[C@H]1NC/C=C/Cl 233954926 571894277 /nfs/dbraw/zinc/89/42/77/571894277.db2.gz CPEZQRBBOFEGOA-ATXJSMISSA-N 0 3 159.660 2.127 10 0 AEAEHN CSC[C@@H](C)[C@H](N)c1ccco1 300761207 571894306 /nfs/dbraw/zinc/89/43/06/571894306.db2.gz MKOPCRAJJUFFET-APPZFPTMSA-N 0 3 185.292 2.279 10 0 AEAEHN C/C(=C\C1(C)CCC1)[C@H]1CNCCO1 711098800 571894416 /nfs/dbraw/zinc/89/44/16/571894416.db2.gz UZFMKEMRLMRVNW-RJCSOLBVSA-N 0 3 195.306 2.111 10 0 AEAEHN CSC[C@H](C)[C@@H](N)c1ccco1 300761211 571894449 /nfs/dbraw/zinc/89/44/49/571894449.db2.gz MKOPCRAJJUFFET-IONNQARKSA-N 0 3 185.292 2.279 10 0 AEAEHN C/C(CC(C)C)=C(/C)[C@@H]1CNCCO1 711096621 571894576 /nfs/dbraw/zinc/89/45/76/571894576.db2.gz MOJWZACZRSTEBQ-IIANPFDCSA-N 0 3 197.322 2.357 10 0 AEAEHN C/C(CC(C)C)=C(\C)[C@@H]1CNCCO1 711096628 571894769 /nfs/dbraw/zinc/89/47/69/571894769.db2.gz MOJWZACZRSTEBQ-WEHUKYGOSA-N 0 3 197.322 2.357 10 0 AEAEHN C/C(=C/C1(C)CCC1)[C@@H]1CNCCO1 711098798 571895071 /nfs/dbraw/zinc/89/50/71/571895071.db2.gz UZFMKEMRLMRVNW-IEHMKBBKSA-N 0 3 195.306 2.111 10 0 AEAEHN C/C(=C\C1(C)CCC1)[C@@H]1CNCCO1 711098805 571895155 /nfs/dbraw/zinc/89/51/55/571895155.db2.gz UZFMKEMRLMRVNW-UQSGXBNBSA-N 0 3 195.306 2.111 10 0 AEAEHN C/C(CC(C)C)=C(\C)[C@H]1CNCCO1 711096622 571895300 /nfs/dbraw/zinc/89/53/00/571895300.db2.gz MOJWZACZRSTEBQ-NLYDNYMLSA-N 0 3 197.322 2.357 10 0 AEAEHN CC[C@@H]1CN=C(NCC2(C)CC2)S1 233954659 571895555 /nfs/dbraw/zinc/89/55/55/571895555.db2.gz VMMOKNNQRDZHQQ-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN CSC[C@@H](C)[C@@H](N)c1ccco1 300761213 571896480 /nfs/dbraw/zinc/89/64/80/571896480.db2.gz MKOPCRAJJUFFET-VXNVDRBHSA-N 0 3 185.292 2.279 10 0 AEAEHN CC[C@@H]1OCC[C@H]1[C@@H](N)c1ccco1 233956156 571896891 /nfs/dbraw/zinc/89/68/91/571896891.db2.gz XCXXADOZVBVFRT-WCABBAIRSA-N 0 3 195.262 2.095 10 0 AEAEHN CN[C@H](C)C(=O)CCC1CCCC1 300763102 571896992 /nfs/dbraw/zinc/89/69/92/571896992.db2.gz OEEIDIIPJMUJED-SECBINFHSA-N 0 3 183.295 2.134 10 0 AEAEHN CC[C@@H]1OCC[C@H]1[C@@H](N)c1ccoc1 233956228 571898001 /nfs/dbraw/zinc/89/80/01/571898001.db2.gz NJIMIEFDXIVPCF-VWYCJHECSA-N 0 3 195.262 2.095 10 0 AEAEHN FC(F)(F)SCCN1CCCC1 393337254 571899096 /nfs/dbraw/zinc/89/90/96/571899096.db2.gz KBCYDSFAWINYKK-UHFFFAOYSA-N 0 3 199.241 2.335 10 0 AEAEHN CN[C@@H](C)C(=O)CCC1CCCC1 300763459 571899655 /nfs/dbraw/zinc/89/96/55/571899655.db2.gz OEEIDIIPJMUJED-VIFPVBQESA-N 0 3 183.295 2.134 10 0 AEAEHN CC(C)(C)CCC[C@@H](F)CN 300763265 571900749 /nfs/dbraw/zinc/90/07/49/571900749.db2.gz XDTQUPDWCALRSC-MRVPVSSYSA-N 0 3 161.264 2.500 10 0 AEAEHN CCNCc1cn(C(CC)CC)cn1 300765676 571901292 /nfs/dbraw/zinc/90/12/92/571901292.db2.gz YBKHALBOBIBBFQ-UHFFFAOYSA-N 0 3 195.310 2.354 10 0 AEAEHN CCCc1nc(C(C)C)ncc1CN 300764360 571904458 /nfs/dbraw/zinc/90/44/58/571904458.db2.gz XONXFSBYQAJXQA-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN NC[C@@H](F)CCc1ccccc1F 219647356 571905646 /nfs/dbraw/zinc/90/56/46/571905646.db2.gz MJKMUHVIQKHLFY-VIFPVBQESA-N 0 3 185.217 2.055 10 0 AEAEHN c1cc(CNCCC2CCCC2)on1 300768822 571905908 /nfs/dbraw/zinc/90/59/08/571905908.db2.gz PHJWHPXPEZAJIE-UHFFFAOYSA-N 0 3 194.278 2.345 10 0 AEAEHN CCc1cc(CC)c(F)c(CN)c1 39169771 571906366 /nfs/dbraw/zinc/90/63/66/571906366.db2.gz KDGLWLMASKCHDE-UHFFFAOYSA-N 0 3 181.254 2.409 10 0 AEAEHN C/C=C\CN1CCCC[C@@H](F)C1 379320371 571907056 /nfs/dbraw/zinc/90/70/56/571907056.db2.gz WFBVOZMDIXYVAW-MXQLGCADSA-N 0 3 171.259 2.387 10 0 AEAEHN C/C=C\CN1CCCC[C@H](F)C1 379320372 571907452 /nfs/dbraw/zinc/90/74/52/571907452.db2.gz WFBVOZMDIXYVAW-ZMWSMAPVSA-N 0 3 171.259 2.387 10 0 AEAEHN CC[C@@H](C)C[C@@H](C)n1cnc(CN)c1 300766123 571908001 /nfs/dbraw/zinc/90/80/01/571908001.db2.gz YFASJJKHRQNPMV-NXEZZACHSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@@H](C)C[C@H](C)n1cnc(CN)c1 300766129 571908783 /nfs/dbraw/zinc/90/87/83/571908783.db2.gz YFASJJKHRQNPMV-ZJUUUORDSA-N 0 3 195.310 2.339 10 0 AEAEHN Cc1c[nH]c(N[C@H](C)CC2CC2)n1 235444915 571908955 /nfs/dbraw/zinc/90/89/55/571908955.db2.gz VOVCPCUTXQCHRX-SSDOTTSWSA-N 0 3 179.267 2.319 10 0 AEAEHN CC[C@H](C)C[C@H](C)n1cnc(CN)c1 300766125 571909590 /nfs/dbraw/zinc/90/95/90/571909590.db2.gz YFASJJKHRQNPMV-UWVGGRQHSA-N 0 3 195.310 2.339 10 0 AEAEHN CC(C)NCc1ccnc(C(C)C)n1 22862405 571912406 /nfs/dbraw/zinc/91/24/06/571912406.db2.gz BATXFZMKGLBJNN-UHFFFAOYSA-N 0 3 193.294 2.098 10 0 AEAEHN c1cc2n(c1)-c1sccc1CNC2 39235246 571912770 /nfs/dbraw/zinc/91/27/70/571912770.db2.gz XEWHBMWARWMRGC-UHFFFAOYSA-N 0 3 190.271 2.142 10 0 AEAEHN CC(C)NCc1cn(C(C)(C)C)cn1 300770994 571913854 /nfs/dbraw/zinc/91/38/54/571913854.db2.gz ZTIARDYIHUJAOT-UHFFFAOYSA-N 0 3 195.310 2.136 10 0 AEAEHN COC[C@H](NC1CC1)c1ccccc1 234730562 571915264 /nfs/dbraw/zinc/91/52/64/571915264.db2.gz DESGITMCMMBWCZ-LBPRGKRZSA-N 0 3 191.274 2.126 10 0 AEAEHN CCNCC(=O)CCC1CCCC1 300773689 571917750 /nfs/dbraw/zinc/91/77/50/571917750.db2.gz QCYSLWSSYLMWJH-UHFFFAOYSA-N 0 3 183.295 2.135 10 0 AEAEHN Cc1ccc(C2C=CC(=O)O2)cc1C 39279113 571919573 /nfs/dbraw/zinc/91/95/73/571919573.db2.gz JWQFDADPBLBMHR-NSHDSACASA-N 0 3 188.226 2.458 10 0 AEAEHN Nc1ccnc2c1ccc1cc[nH]c12 39269227 571919750 /nfs/dbraw/zinc/91/97/50/571919750.db2.gz ZXSJVLZXTGZBSF-UHFFFAOYSA-N 0 3 183.214 2.298 10 0 AEAEHN CC[C@@H](NC)c1ccnn1C(C)C 300778257 571922013 /nfs/dbraw/zinc/92/20/13/571922013.db2.gz RJBHLZBJIQGLLE-SECBINFHSA-N 0 3 181.283 2.135 10 0 AEAEHN CC[C@H](NC)c1ccnn1C(C)C 300778258 571922496 /nfs/dbraw/zinc/92/24/96/571922496.db2.gz RJBHLZBJIQGLLE-VIFPVBQESA-N 0 3 181.283 2.135 10 0 AEAEHN [NH3+]C/C=C\c1ccc([O-])cc1Cl 687680303 571922774 /nfs/dbraw/zinc/92/27/74/571922774.db2.gz FQFFVYKGXMXYBX-UPHRSURJSA-N 0 3 183.638 2.018 10 0 AEAEHN [NH3+]C/C=C\c1cc(Cl)ccc1[O-] 687680300 571923338 /nfs/dbraw/zinc/92/33/38/571923338.db2.gz DAWBCERQKFAWMJ-UPHRSURJSA-N 0 3 183.638 2.018 10 0 AEAEHN [NH3+]C/C=C\c1ccc(Cl)cc1[O-] 687680309 571924613 /nfs/dbraw/zinc/92/46/13/571924613.db2.gz SJXZKENSFQMGIX-UPHRSURJSA-N 0 3 183.638 2.018 10 0 AEAEHN [NH3+]C/C=C\c1cc([O-])ccc1Cl 687680305 571924761 /nfs/dbraw/zinc/92/47/61/571924761.db2.gz NCOZHVNXJDPWED-UPHRSURJSA-N 0 3 183.638 2.018 10 0 AEAEHN C[C@H](N)C(=O)CCCC(C)(C)C 300792209 571928005 /nfs/dbraw/zinc/92/80/05/571928005.db2.gz YOGBYUHWERJGCA-QMMMGPOBSA-N 0 3 171.284 2.119 10 0 AEAEHN CCC(C)(C)C[C@H](F)CN 713130486 571928906 /nfs/dbraw/zinc/92/89/06/571928906.db2.gz AYOSUPSCRICNMN-ZETCQYMHSA-N 0 3 147.237 2.110 10 0 AEAEHN N[C@H](CCC1CCCC1)c1ncc[nH]1 300791854 571929481 /nfs/dbraw/zinc/92/94/81/571929481.db2.gz UBQNAWZOZMDUMZ-SNVBAGLBSA-N 0 3 193.294 2.380 10 0 AEAEHN FC(F)CCNCc1ccoc1 393338096 571930431 /nfs/dbraw/zinc/93/04/31/571930431.db2.gz ZYRGQQCAEFQNSV-UHFFFAOYSA-N 0 3 175.178 2.024 10 0 AEAEHN CCc1cc(F)c([O-])c(/C=C\C[NH3+])c1 687681788 571929799 /nfs/dbraw/zinc/92/97/99/571929799.db2.gz AXXFRHXGUAEITD-ARJAWSKDSA-N 0 3 195.237 2.066 10 0 AEAEHN CCC(C)(C)C[C@@H](F)CN 713130475 571929841 /nfs/dbraw/zinc/92/98/41/571929841.db2.gz AYOSUPSCRICNMN-SSDOTTSWSA-N 0 3 147.237 2.110 10 0 AEAEHN Cc1ccc(C2C=CC(=O)O2)c(C)c1 39427248 571929854 /nfs/dbraw/zinc/92/98/54/571929854.db2.gz IEEDUZIDRNICPU-NSHDSACASA-N 0 3 188.226 2.458 10 0 AEAEHN C[C@@H](N)C(=O)CCCC(C)(C)C 300792208 571930024 /nfs/dbraw/zinc/93/00/24/571930024.db2.gz YOGBYUHWERJGCA-MRVPVSSYSA-N 0 3 171.284 2.119 10 0 AEAEHN CN(C)CCC(=O)CCC1CCCC1 300794028 571930037 /nfs/dbraw/zinc/93/00/37/571930037.db2.gz ULEOUDQANMDHIZ-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN N[C@@H](CCC1CCCC1)c1ncc[nH]1 300791852 571930062 /nfs/dbraw/zinc/93/00/62/571930062.db2.gz UBQNAWZOZMDUMZ-JTQLQIEISA-N 0 3 193.294 2.380 10 0 AEAEHN C[C@H]1NC(C)(C)O[C@H]1c1ccccc1 39594845 571932456 /nfs/dbraw/zinc/93/24/56/571932456.db2.gz GSJWOQQDBDJRHN-MWLCHTKSSA-N 0 3 191.274 2.472 10 0 AEAEHN Cc1ccc(/C=C\C[NH3+])c(Cl)c1[O-] 687682112 571932130 /nfs/dbraw/zinc/93/21/30/571932130.db2.gz QRUNPHRJXPIYGD-IHWYPQMZSA-N 0 3 197.665 2.326 10 0 AEAEHN Cc1cc([O-])c(Cl)c(/C=C\C[NH3+])c1 687682143 571932682 /nfs/dbraw/zinc/93/26/82/571932682.db2.gz VIIHDWZVQDXIOG-IHWYPQMZSA-N 0 3 197.665 2.326 10 0 AEAEHN Cc1c(Cl)ccc([O-])c1/C=C\C[NH3+] 687682133 571932879 /nfs/dbraw/zinc/93/28/79/571932879.db2.gz HTHRMFGHPPMJPO-IHWYPQMZSA-N 0 3 197.665 2.326 10 0 AEAEHN C[C@@H]1NC(C)(C)O[C@H]1c1ccccc1 39594848 571933791 /nfs/dbraw/zinc/93/37/91/571933791.db2.gz GSJWOQQDBDJRHN-GXSJLCMTSA-N 0 3 191.274 2.472 10 0 AEAEHN CC(C)(C)CCC[C@H](N)c1nc[nH]n1 300800773 571933859 /nfs/dbraw/zinc/93/38/59/571933859.db2.gz DPTYGEJOYJRCNQ-QMMMGPOBSA-N 0 3 196.298 2.021 10 0 AEAEHN CC(C)(C)CCC[C@H](N)c1nnc[nH]1 300800773 571933863 /nfs/dbraw/zinc/93/38/63/571933863.db2.gz DPTYGEJOYJRCNQ-QMMMGPOBSA-N 0 3 196.298 2.021 10 0 AEAEHN Cc1cc(/C=C\C[NH3+])cc(Cl)c1[O-] 687682127 571934507 /nfs/dbraw/zinc/93/45/07/571934507.db2.gz FGIOCELFLYRQQV-IHWYPQMZSA-N 0 3 197.665 2.326 10 0 AEAEHN C[C@H]1NC(C)(C)O[C@@H]1c1ccccc1 39594851 571934576 /nfs/dbraw/zinc/93/45/76/571934576.db2.gz GSJWOQQDBDJRHN-KOLCDFICSA-N 0 3 191.274 2.472 10 0 AEAEHN Cc1cc([O-])c(Cl)cc1/C=C\C[NH3+] 687682104 571935578 /nfs/dbraw/zinc/93/55/78/571935578.db2.gz ITNIXIYEMFDSTG-IHWYPQMZSA-N 0 3 197.665 2.326 10 0 AEAEHN [NH3+]C/C=C\c1ccc([O-])c(C(F)F)c1 687682325 571935637 /nfs/dbraw/zinc/93/56/37/571935637.db2.gz JZGHKEKIAOBCHR-UPHRSURJSA-N 0 3 199.200 2.302 10 0 AEAEHN Cc1cc([O-])c(/C=C\C[NH3+])cc1Cl 687682124 571935650 /nfs/dbraw/zinc/93/56/50/571935650.db2.gz BPNSDPXNTPJPEX-IHWYPQMZSA-N 0 3 197.665 2.326 10 0 AEAEHN CCN(C)[C@@H](C)c1cc(O)cc(O)c1 233967355 571937739 /nfs/dbraw/zinc/93/77/39/571937739.db2.gz XDCMQJZJINWUNL-QMMMGPOBSA-N 0 3 195.262 2.111 10 0 AEAEHN C/C(=C\C(C)(C)C)C[C@@H]1COCCN1 713134272 571938073 /nfs/dbraw/zinc/93/80/73/571938073.db2.gz POXVNMZZPCBBHS-RJCSOLBVSA-N 0 3 197.322 2.357 10 0 AEAEHN Cc1ccsc1CNc1ncc[nH]1 235781682 571938440 /nfs/dbraw/zinc/93/84/40/571938440.db2.gz LHJKCKHCQIPMPD-UHFFFAOYSA-N 0 3 193.275 2.392 10 0 AEAEHN Cc1ccsc1[C@H]1CCNC[C@H]1F 687810628 571938686 /nfs/dbraw/zinc/93/86/86/571938686.db2.gz MAGKUMUSESELJS-DTWKUNHWSA-N 0 3 199.294 2.472 10 0 AEAEHN CCN(C)[C@H](C)c1cc(O)cc(O)c1 233971192 571939191 /nfs/dbraw/zinc/93/91/91/571939191.db2.gz XDCMQJZJINWUNL-MRVPVSSYSA-N 0 3 195.262 2.111 10 0 AEAEHN Cc1cscc1CNc1ncc[nH]1 235783328 571939496 /nfs/dbraw/zinc/93/94/96/571939496.db2.gz UFRXFQSHDKHXPX-UHFFFAOYSA-N 0 3 193.275 2.392 10 0 AEAEHN C/C(=C/C(C)(C)C)C[C@@H]1COCCN1 713134268 571940649 /nfs/dbraw/zinc/94/06/49/571940649.db2.gz POXVNMZZPCBBHS-HIJJYWJESA-N 0 3 197.322 2.357 10 0 AEAEHN C/C(=C\C(C)(C)C)C[C@H]1COCCN1 713134275 571940695 /nfs/dbraw/zinc/94/06/95/571940695.db2.gz POXVNMZZPCBBHS-UQSGXBNBSA-N 0 3 197.322 2.357 10 0 AEAEHN Cc1ccsc1[C@@H]1CCNC[C@H]1F 687810632 571940723 /nfs/dbraw/zinc/94/07/23/571940723.db2.gz MAGKUMUSESELJS-RKDXNWHRSA-N 0 3 199.294 2.472 10 0 AEAEHN Cc1ccsc1[C@@H]1CCNC[C@@H]1F 687810627 571940797 /nfs/dbraw/zinc/94/07/97/571940797.db2.gz MAGKUMUSESELJS-BDAKNGLRSA-N 0 3 199.294 2.472 10 0 AEAEHN Cc1ccsc1[C@H]1CCNC[C@@H]1F 687810631 571941037 /nfs/dbraw/zinc/94/10/37/571941037.db2.gz MAGKUMUSESELJS-IUCAKERBSA-N 0 3 199.294 2.472 10 0 AEAEHN CCN(C)c1c(F)cccc1[C@@H](C)N 233975519 571943674 /nfs/dbraw/zinc/94/36/74/571943674.db2.gz VBPTUCGGKQXEFY-MRVPVSSYSA-N 0 3 196.269 2.302 10 0 AEAEHN CCN(C)c1c(F)cccc1[C@H](C)N 233975580 571943920 /nfs/dbraw/zinc/94/39/20/571943920.db2.gz VBPTUCGGKQXEFY-QMMMGPOBSA-N 0 3 196.269 2.302 10 0 AEAEHN C[C@H]1OCCN(C2CCCC2)[C@@H]1C 335715793 571945233 /nfs/dbraw/zinc/94/52/33/571945233.db2.gz WROQVQYCWYSTJC-NXEZZACHSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@@H]1CC[C@@H](N2CCOCC23CC3)C1 334205178 571945419 /nfs/dbraw/zinc/94/54/19/571945419.db2.gz XJLUWCDQYSOYCG-GHMZBOCLSA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@H]1CC[C@@H](N2CCOCC23CC3)C1 334205181 571945527 /nfs/dbraw/zinc/94/55/27/571945527.db2.gz XJLUWCDQYSOYCG-WDEREUQCSA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@H]1[C@@H](C)OCCN1C1CCCC1 335715795 571945598 /nfs/dbraw/zinc/94/55/98/571945598.db2.gz WROQVQYCWYSTJC-VHSXEESVSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@@H]1CC[C@H](N2CCOCC23CC3)C1 334205179 571945794 /nfs/dbraw/zinc/94/57/94/571945794.db2.gz XJLUWCDQYSOYCG-MNOVXSKESA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@@H]1OCCN(C2CCCC2)[C@@H]1C 335715796 571945968 /nfs/dbraw/zinc/94/59/68/571945968.db2.gz WROQVQYCWYSTJC-ZJUUUORDSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@@H]1OCCN(C2CCCC2)[C@H]1C 335715794 571946063 /nfs/dbraw/zinc/94/60/63/571946063.db2.gz WROQVQYCWYSTJC-UWVGGRQHSA-N 0 3 183.295 2.038 10 0 AEAEHN CCn1cnc(C2(N)CCCCC2)c1 687686901 571946606 /nfs/dbraw/zinc/94/66/06/571946606.db2.gz AAQSZNPFCUEVMK-UHFFFAOYSA-N 0 3 193.294 2.021 10 0 AEAEHN C[C@H]1CC[C@H](N2CCOCC23CC3)C1 334205180 571946701 /nfs/dbraw/zinc/94/67/01/571946701.db2.gz XJLUWCDQYSOYCG-QWRGUYRKSA-N 0 3 195.306 2.040 10 0 AEAEHN CC1(C)CN(C2CCC2)CC(C)(C)O1 335748715 571946981 /nfs/dbraw/zinc/94/69/81/571946981.db2.gz FIAKYSQNXCBISZ-UHFFFAOYSA-N 0 3 197.322 2.428 10 0 AEAEHN CC(C)(N)C(=O)CCC1CCCC1 300810053 571948579 /nfs/dbraw/zinc/94/85/79/571948579.db2.gz XCRQYUMMCSINMO-UHFFFAOYSA-N 0 3 183.295 2.263 10 0 AEAEHN CCc1csc([C@H](N)C(C)C)n1 11631786 571950131 /nfs/dbraw/zinc/95/01/31/571950131.db2.gz FACKEDQSKUZFRD-MRVPVSSYSA-N 0 3 184.308 2.361 10 0 AEAEHN CCn1ccnc1[C@](N)(CC)C(C)C 687687221 571951066 /nfs/dbraw/zinc/95/10/66/571951066.db2.gz NZQOGDJGTNCNNJ-NSHDSACASA-N 0 3 195.310 2.123 10 0 AEAEHN CCn1ccnc1[C@@](N)(CC)C(C)C 687687220 571951733 /nfs/dbraw/zinc/95/17/33/571951733.db2.gz NZQOGDJGTNCNNJ-LLVKDONJSA-N 0 3 195.310 2.123 10 0 AEAEHN CCc1csc([C@@H](N)C(C)C)n1 11631785 571952069 /nfs/dbraw/zinc/95/20/69/571952069.db2.gz FACKEDQSKUZFRD-QMMMGPOBSA-N 0 3 184.308 2.361 10 0 AEAEHN c1ccc2c(c1)OCCN[C@@H]2C1CC1 11802720 571953423 /nfs/dbraw/zinc/95/34/23/571953423.db2.gz DDAFRZMVUZKVEH-GFCCVEGCSA-N 0 3 189.258 2.120 10 0 AEAEHN C[C@H](NCC1(C)CCC1)c1cc[nH]n1 235523453 571953096 /nfs/dbraw/zinc/95/30/96/571953096.db2.gz RGTMCMRTLPDGRT-VIFPVBQESA-N 0 3 193.294 2.251 10 0 AEAEHN CC(C)[C@H]1NCCOc2ccccc21 11802727 571953280 /nfs/dbraw/zinc/95/32/80/571953280.db2.gz MGSZKSNLPRCRBC-GFCCVEGCSA-N 0 3 191.274 2.366 10 0 AEAEHN CC[C@@H](C)[C@](C)(N)c1nccn1CC 687687460 571953359 /nfs/dbraw/zinc/95/33/59/571953359.db2.gz SLEUHSUMHHCAIW-KOLCDFICSA-N 0 3 195.310 2.123 10 0 AEAEHN c1ccc2c(c1)OCCN[C@H]2C1CC1 11802721 571953378 /nfs/dbraw/zinc/95/33/78/571953378.db2.gz DDAFRZMVUZKVEH-LBPRGKRZSA-N 0 3 189.258 2.120 10 0 AEAEHN C[C@H]1NCCCOc2ccccc21 11802783 571954162 /nfs/dbraw/zinc/95/41/62/571954162.db2.gz PIYKKZGBAQDZAF-SECBINFHSA-N 0 3 177.247 2.120 10 0 AEAEHN CC[C@H]1NCCOc2ccccc21 11802718 571954350 /nfs/dbraw/zinc/95/43/50/571954350.db2.gz UHQSLLVFMRQOHP-SNVBAGLBSA-N 0 3 177.247 2.120 10 0 AEAEHN CC[C@@H](C)[C@@](C)(N)c1nccn1CC 687687461 571955587 /nfs/dbraw/zinc/95/55/87/571955587.db2.gz SLEUHSUMHHCAIW-MWLCHTKSSA-N 0 3 195.310 2.123 10 0 AEAEHN CC[C@H](C)[C@](C)(N)c1nccn1CC 687687463 571954625 /nfs/dbraw/zinc/95/46/25/571954625.db2.gz SLEUHSUMHHCAIW-ONGXEEELSA-N 0 3 195.310 2.123 10 0 AEAEHN CC[C@H](C)[C@@](C)(N)c1nccn1CC 687687459 571955234 /nfs/dbraw/zinc/95/52/34/571955234.db2.gz SLEUHSUMHHCAIW-GXSJLCMTSA-N 0 3 195.310 2.123 10 0 AEAEHN C[C@@H]1NCCCOc2ccccc21 11802781 571955719 /nfs/dbraw/zinc/95/57/19/571955719.db2.gz PIYKKZGBAQDZAF-VIFPVBQESA-N 0 3 177.247 2.120 10 0 AEAEHN C[C@H](N)c1cnc(-c2ccc[nH]2)s1 11760706 571955765 /nfs/dbraw/zinc/95/57/65/571955765.db2.gz FIPCPEQVIMMMEN-LURJTMIESA-N 0 3 193.275 2.158 10 0 AEAEHN N[C@H]1CCCCc2occc21 687757834 571955951 /nfs/dbraw/zinc/95/59/51/571955951.db2.gz RAJWGPPIMAGRIQ-QMMMGPOBSA-N 0 3 151.209 2.006 10 0 AEAEHN N[C@@H]1CCCCc2occc21 687757833 571956625 /nfs/dbraw/zinc/95/66/25/571956625.db2.gz RAJWGPPIMAGRIQ-MRVPVSSYSA-N 0 3 151.209 2.006 10 0 AEAEHN CC[C@@H](N)c1cnc2cccc(C)n12 31911322 571958136 /nfs/dbraw/zinc/95/81/36/571958136.db2.gz KOTBXORDFYMMBE-SECBINFHSA-N 0 3 189.262 2.053 10 0 AEAEHN Cn1c(N)nc2cccc(C3CC3)c21 140689822 571958475 /nfs/dbraw/zinc/95/84/75/571958475.db2.gz IGYLQNSLQWXPAJ-UHFFFAOYSA-N 0 3 187.246 2.033 10 0 AEAEHN C[NH2+][C@H](C)CCc1ccc([O-])cc1F 404266320 571961176 /nfs/dbraw/zinc/96/11/76/571961176.db2.gz WHBATRGCOHLIIR-MRVPVSSYSA-N 0 3 197.253 2.072 10 0 AEAEHN Cc1ccc2[nH]c3c(c2c1)CCN=C3 11919677 571959066 /nfs/dbraw/zinc/95/90/66/571959066.db2.gz ARDYRRRGELAPTQ-UHFFFAOYSA-N 0 3 184.242 2.451 10 0 AEAEHN CC[C@H](N)c1cnc2cccc(C)n12 31911325 571959176 /nfs/dbraw/zinc/95/91/76/571959176.db2.gz KOTBXORDFYMMBE-VIFPVBQESA-N 0 3 189.262 2.053 10 0 AEAEHN CC[C@@H](N)c1c(C)nc2ccccn12 31911970 571959220 /nfs/dbraw/zinc/95/92/20/571959220.db2.gz YXPJMZPLYGSTLF-SECBINFHSA-N 0 3 189.262 2.053 10 0 AEAEHN Cc1ccc(-c2c[nH]c(N)n2)cc1C 31891122 571959282 /nfs/dbraw/zinc/95/92/82/571959282.db2.gz QPKGONRAIRZSPX-UHFFFAOYSA-N 0 3 187.246 2.276 10 0 AEAEHN CC[C@@H](N)c1cnc2cc(C)ccn12 31911550 571959332 /nfs/dbraw/zinc/95/93/32/571959332.db2.gz VALFNBDQUAECRJ-SECBINFHSA-N 0 3 189.262 2.053 10 0 AEAEHN CC[C@H](N)c1cnc2ccc(C)cn12 31911437 571959398 /nfs/dbraw/zinc/95/93/98/571959398.db2.gz MOVAUYFTLYPLRP-VIFPVBQESA-N 0 3 189.262 2.053 10 0 AEAEHN CC[C@@H](N)c1cnc2ccc(C)cn12 31911435 571959418 /nfs/dbraw/zinc/95/94/18/571959418.db2.gz MOVAUYFTLYPLRP-SECBINFHSA-N 0 3 189.262 2.053 10 0 AEAEHN CC[C@H](N)c1cnc2cc(C)ccn12 31911552 571959784 /nfs/dbraw/zinc/95/97/84/571959784.db2.gz VALFNBDQUAECRJ-VIFPVBQESA-N 0 3 189.262 2.053 10 0 AEAEHN CCSc1ccc(CN)s1 31893624 571960410 /nfs/dbraw/zinc/96/04/10/571960410.db2.gz YVIMKFGRNUTDLZ-UHFFFAOYSA-N 0 3 173.306 2.319 10 0 AEAEHN CC[C@H](N)c1c(C)nc2ccccn12 31911974 571960829 /nfs/dbraw/zinc/96/08/29/571960829.db2.gz YXPJMZPLYGSTLF-VIFPVBQESA-N 0 3 189.262 2.053 10 0 AEAEHN CC[C@@H]1CCCC[C@@H]1CNC1COC1 401606175 571960839 /nfs/dbraw/zinc/96/08/39/571960839.db2.gz FTIFDNDOVSPDOI-GHMZBOCLSA-N 0 3 197.322 2.191 10 0 AEAEHN CC(C)C[C@H]1CSC(NC2CC2)=N1 40795232 571960887 /nfs/dbraw/zinc/96/08/87/571960887.db2.gz OPPYUFZJWPBHPB-VIFPVBQESA-N 0 3 198.335 2.256 10 0 AEAEHN Cc1cccc([C@H]2CN[C@@H](C)CO2)c1 32008389 571962013 /nfs/dbraw/zinc/96/20/13/571962013.db2.gz MONDJYOFOOKYOM-CMPLNLGQSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1ccc([C@H]2CN[C@H](C)CO2)cc1 32008393 571962308 /nfs/dbraw/zinc/96/23/08/571962308.db2.gz GENUOEUMABKZCN-ZYHUDNBSSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1ccc([C@H]2CN[C@@H](C)CO2)cc1 32008395 571962384 /nfs/dbraw/zinc/96/23/84/571962384.db2.gz GENUOEUMABKZCN-CMPLNLGQSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1cccc(C)c1NCCN(C)C 32008624 571962583 /nfs/dbraw/zinc/96/25/83/571962583.db2.gz LLIARFKXMPQTME-UHFFFAOYSA-N 0 3 192.306 2.277 10 0 AEAEHN Cc1cccc([C@@H]2CN[C@H](C)CO2)c1 32008390 571962815 /nfs/dbraw/zinc/96/28/15/571962815.db2.gz MONDJYOFOOKYOM-PWSUYJOCSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1cccc([C@@H]2CN[C@@H](C)CO2)c1 32008392 571962921 /nfs/dbraw/zinc/96/29/21/571962921.db2.gz MONDJYOFOOKYOM-JQWIXIFHSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1ccc([C@@H]2CN[C@@H](C)CO2)cc1 32008398 571963190 /nfs/dbraw/zinc/96/31/90/571963190.db2.gz GENUOEUMABKZCN-JQWIXIFHSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1cccc([C@H]2CN[C@H](C)CO2)c1 32008387 571963489 /nfs/dbraw/zinc/96/34/89/571963489.db2.gz MONDJYOFOOKYOM-ZYHUDNBSSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1ccc2[nH]c(C(C)(C)N)nc2c1 40911238 571964556 /nfs/dbraw/zinc/96/45/56/571964556.db2.gz YBJICCFRPPFWJM-UHFFFAOYSA-N 0 3 189.262 2.065 10 0 AEAEHN Cc1ccc2nc(C(C)(C)N)[nH]c2c1 40911238 571964557 /nfs/dbraw/zinc/96/45/57/571964557.db2.gz YBJICCFRPPFWJM-UHFFFAOYSA-N 0 3 189.262 2.065 10 0 AEAEHN CCCc1nc(C)c2ccc(N)cn12 219306838 571965012 /nfs/dbraw/zinc/96/50/12/571965012.db2.gz CWFVDCJBSYDFBV-UHFFFAOYSA-N 0 3 189.262 2.177 10 0 AEAEHN C[C@@](N)(C1=CCCO1)c1ccccc1 687691386 571966182 /nfs/dbraw/zinc/96/61/82/571966182.db2.gz JCIFHVCQNABNEJ-LBPRGKRZSA-N 0 3 189.258 2.165 10 0 AEAEHN C[C@H](Nc1ncc[nH]1)C1CCC1 235537590 571966246 /nfs/dbraw/zinc/96/62/46/571966246.db2.gz DULIZWDWDWONOG-ZETCQYMHSA-N 0 3 165.240 2.010 10 0 AEAEHN C[C@](N)(C1=CCCO1)c1ccccc1 687691385 571966353 /nfs/dbraw/zinc/96/63/53/571966353.db2.gz JCIFHVCQNABNEJ-GFCCVEGCSA-N 0 3 189.258 2.165 10 0 AEAEHN c1ncc(CNC2CCCCC2)o1 41050811 571966438 /nfs/dbraw/zinc/96/64/38/571966438.db2.gz QAMVDFPZBIOCNT-UHFFFAOYSA-N 0 3 180.251 2.097 10 0 AEAEHN C[C@H](Nc1ncc[nH]1)C1CCCC1 235537601 571966573 /nfs/dbraw/zinc/96/65/73/571966573.db2.gz JXLCYKXICMMFPY-QMMMGPOBSA-N 0 3 179.267 2.400 10 0 AEAEHN C[C@H](Nc1ncc[nH]1)C(C)(C)C 235537553 571967220 /nfs/dbraw/zinc/96/72/20/571967220.db2.gz YWNFNWNQKSUEGG-ZETCQYMHSA-N 0 3 167.256 2.256 10 0 AEAEHN CC(=O)[C@H](C)N(CCC(C)C)C1CC1 109277514 571967361 /nfs/dbraw/zinc/96/73/61/571967361.db2.gz UKNTZJRONOPUAE-JTQLQIEISA-N 0 3 197.322 2.474 10 0 AEAEHN CN[C@H](CC(C)(C)C)c1cnns1 713166219 571968371 /nfs/dbraw/zinc/96/83/71/571968371.db2.gz FIWPFERBTJMFBG-SSDOTTSWSA-N 0 3 199.323 2.235 10 0 AEAEHN CN[C@@H](CC(C)(C)C)c1cnns1 713166224 571967955 /nfs/dbraw/zinc/96/79/55/571967955.db2.gz FIWPFERBTJMFBG-ZETCQYMHSA-N 0 3 199.323 2.235 10 0 AEAEHN CC(=O)[C@@H](C)N(CCC(C)C)C1CC1 109277517 571969154 /nfs/dbraw/zinc/96/91/54/571969154.db2.gz UKNTZJRONOPUAE-SNVBAGLBSA-N 0 3 197.322 2.474 10 0 AEAEHN CCCn1ccnc1C(N)(CC)CC 687692285 571969283 /nfs/dbraw/zinc/96/92/83/571969283.db2.gz VOKRURYRXIWSNB-UHFFFAOYSA-N 0 3 195.310 2.267 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1nc(C)cs1 41059808 571970198 /nfs/dbraw/zinc/97/01/98/571970198.db2.gz UZRCHFPRRDKMTR-SVRRBLITSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1c(-c2cccs2)nc(N)n1C 219383609 571970450 /nfs/dbraw/zinc/97/04/50/571970450.db2.gz KWSYZEBFAJPLNG-UHFFFAOYSA-N 0 3 193.275 2.039 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1nc(C)cs1 41059810 571971312 /nfs/dbraw/zinc/97/13/12/571971312.db2.gz UZRCHFPRRDKMTR-HTRCEHHLSA-N 0 3 184.308 2.497 10 0 AEAEHN CC(C)NC(C)(C)c1nccs1 41061535 571971317 /nfs/dbraw/zinc/97/13/17/571971317.db2.gz JVNXHISFGSAEPV-UHFFFAOYSA-N 0 3 184.308 2.376 10 0 AEAEHN N[C@@]1(c2ccc[nH]2)CCc2ccccc21 687693994 571971677 /nfs/dbraw/zinc/97/16/77/571971677.db2.gz JGPZRNDKRKWZDM-ZDUSSCGKSA-N 0 3 198.269 2.163 10 0 AEAEHN CNCc1[nH]nc(C)c1C1CCCC1 219408700 571971711 /nfs/dbraw/zinc/97/17/11/571971711.db2.gz BDHVXTVQGUTQFJ-UHFFFAOYSA-N 0 3 193.294 2.095 10 0 AEAEHN CC[C@H](C)[C@@](C)(N)c1nccs1 41059946 571971721 /nfs/dbraw/zinc/97/17/21/571971721.db2.gz XGVKTDLFFBDQKO-IONNQARKSA-N 0 3 184.308 2.363 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1nc(C)cs1 41059811 571971783 /nfs/dbraw/zinc/97/17/83/571971783.db2.gz UZRCHFPRRDKMTR-POYBYMJQSA-N 0 3 184.308 2.497 10 0 AEAEHN COC1(C[C@@H](N)c2ccco2)CCC1 234817810 571971818 /nfs/dbraw/zinc/97/18/18/571971818.db2.gz LOEQLEMFDGSORW-SECBINFHSA-N 0 3 195.262 2.239 10 0 AEAEHN CC(C)(C)CCCn1ccc(CN)n1 300828456 571972038 /nfs/dbraw/zinc/97/20/38/571972038.db2.gz HXLSGBXSJILOJV-UHFFFAOYSA-N 0 3 195.310 2.168 10 0 AEAEHN CCc1nc([C@H](N)C2CC2)sc1C 41059428 571972114 /nfs/dbraw/zinc/97/21/14/571972114.db2.gz SFLOWMHDMRMLON-SECBINFHSA-N 0 3 196.319 2.424 10 0 AEAEHN CCc1nc([C@@H](N)C2CC2)sc1C 41059429 571972136 /nfs/dbraw/zinc/97/21/36/571972136.db2.gz SFLOWMHDMRMLON-VIFPVBQESA-N 0 3 196.319 2.424 10 0 AEAEHN COC1(C[C@@H](N)c2ccoc2)CCC1 234818098 571972232 /nfs/dbraw/zinc/97/22/32/571972232.db2.gz ZVYYZBLPWFDSNZ-SNVBAGLBSA-N 0 3 195.262 2.239 10 0 AEAEHN CC[C@H](NC)c1nc2c(s1)CCC2 41060829 571972350 /nfs/dbraw/zinc/97/23/50/571972350.db2.gz JHJSFUJRKHQIKW-ZETCQYMHSA-N 0 3 196.319 2.302 10 0 AEAEHN N[C@@]1(c2ccoc2)CCc2ccccc21 687694249 571972553 /nfs/dbraw/zinc/97/25/53/571972553.db2.gz SBXJSOFYZWJJRE-CYBMUJFWSA-N 0 3 199.253 2.428 10 0 AEAEHN N[C@]1(c2ccoc2)CCc2ccccc21 687694250 571972968 /nfs/dbraw/zinc/97/29/68/571972968.db2.gz SBXJSOFYZWJJRE-ZDUSSCGKSA-N 0 3 199.253 2.428 10 0 AEAEHN N[C@]1(c2ccc[nH]2)CCc2ccccc21 687693993 571973250 /nfs/dbraw/zinc/97/32/50/571973250.db2.gz JGPZRNDKRKWZDM-CYBMUJFWSA-N 0 3 198.269 2.163 10 0 AEAEHN CC(C)[C@@H](C)CN[C@H](C)c1cc[nH]n1 81045593 571973751 /nfs/dbraw/zinc/97/37/51/571973751.db2.gz OYBYIEULRJRGNA-VHSXEESVSA-N 0 3 195.310 2.352 10 0 AEAEHN CC(C)[C@H](C)CN[C@@H](C)c1cc[nH]n1 81045589 571975426 /nfs/dbraw/zinc/97/54/26/571975426.db2.gz OYBYIEULRJRGNA-ZJUUUORDSA-N 0 3 195.310 2.352 10 0 AEAEHN CC(C)[C@H](C)CN[C@H](C)c1cc[nH]n1 81045598 571975554 /nfs/dbraw/zinc/97/55/54/571975554.db2.gz OYBYIEULRJRGNA-NXEZZACHSA-N 0 3 195.310 2.352 10 0 AEAEHN CC(C)[C@@H](C)CN[C@@H](C)c1cc[nH]n1 81045588 571975941 /nfs/dbraw/zinc/97/59/41/571975941.db2.gz OYBYIEULRJRGNA-UWVGGRQHSA-N 0 3 195.310 2.352 10 0 AEAEHN CN(C)c1ccc([C@H]2CCCCN2)o1 139789903 571975908 /nfs/dbraw/zinc/97/59/08/571975908.db2.gz NFIIQDIXFHBQLK-SECBINFHSA-N 0 3 194.278 2.160 10 0 AEAEHN C[C@H](Nc1ncc[nH]1)c1nccs1 235538037 571976760 /nfs/dbraw/zinc/97/67/60/571976760.db2.gz WBHFTOZKXHAVGC-LURJTMIESA-N 0 3 194.263 2.039 10 0 AEAEHN Cc1c[nH]c(N[C@@H](C)C2CCC2)n1 235544834 571979819 /nfs/dbraw/zinc/97/98/19/571979819.db2.gz JAYHYRVYYURWGM-QMMMGPOBSA-N 0 3 179.267 2.319 10 0 AEAEHN CC(C)C[C@@H](C)Cn1ccc(CN)n1 300840120 571980588 /nfs/dbraw/zinc/98/05/88/571980588.db2.gz DBUCFPWHHPQHNS-SNVBAGLBSA-N 0 3 195.310 2.024 10 0 AEAEHN CC(C)C[C@H](C)Cn1ccc(CN)n1 300840119 571980624 /nfs/dbraw/zinc/98/06/24/571980624.db2.gz DBUCFPWHHPQHNS-JTQLQIEISA-N 0 3 195.310 2.024 10 0 AEAEHN CC(C)C[C@H](C)C[C@H]1CNCCC1=O 300837913 571980924 /nfs/dbraw/zinc/98/09/24/571980924.db2.gz CVNDFKSASIDOBA-QWRGUYRKSA-N 0 3 197.322 2.237 10 0 AEAEHN CC(C)C[C@H](C)C[C@@H]1CNCCC1=O 300837914 571981888 /nfs/dbraw/zinc/98/18/88/571981888.db2.gz CVNDFKSASIDOBA-WDEREUQCSA-N 0 3 197.322 2.237 10 0 AEAEHN CC(C)C[C@@H](C)C[C@@H]1CNCCC1=O 300837911 571982046 /nfs/dbraw/zinc/98/20/46/571982046.db2.gz CVNDFKSASIDOBA-GHMZBOCLSA-N 0 3 197.322 2.237 10 0 AEAEHN CCCCCNc1ncccc1CN 41206522 571982451 /nfs/dbraw/zinc/98/24/51/571982451.db2.gz SPOURQVWGLLYJQ-UHFFFAOYSA-N 0 3 193.294 2.142 10 0 AEAEHN CC[C@H](C)[C@H](NC)c1cc(C)n(C)n1 300847590 571983120 /nfs/dbraw/zinc/98/31/20/571983120.db2.gz HLAFNGPEHNWUQJ-KWQFWETISA-N 0 3 195.310 2.035 10 0 AEAEHN CCCC[C@H](C)[C@@H](N)c1nccn1C 300845601 571982988 /nfs/dbraw/zinc/98/29/88/571982988.db2.gz ALJKSIHGFPJPNX-VHSXEESVSA-N 0 3 195.310 2.246 10 0 AEAEHN CC[C@@H](C)[C@H](NC)c1cc(C)n(C)n1 300847586 571983023 /nfs/dbraw/zinc/98/30/23/571983023.db2.gz HLAFNGPEHNWUQJ-KCJUWKMLSA-N 0 3 195.310 2.035 10 0 AEAEHN CC[C@@H](C)[C@@H](NC)c1cc(C)n(C)n1 300847594 571983246 /nfs/dbraw/zinc/98/32/46/571983246.db2.gz HLAFNGPEHNWUQJ-LDYMZIIASA-N 0 3 195.310 2.035 10 0 AEAEHN CCCC[C@@H](C)[C@@H](N)c1nccn1C 300845597 571983289 /nfs/dbraw/zinc/98/32/89/571983289.db2.gz ALJKSIHGFPJPNX-NXEZZACHSA-N 0 3 195.310 2.246 10 0 AEAEHN CCNCc1nc(C(C)C)ncc1C 300842930 571983479 /nfs/dbraw/zinc/98/34/79/571983479.db2.gz ADKDEPJYQZQBIX-UHFFFAOYSA-N 0 3 193.294 2.018 10 0 AEAEHN CCCC[C@@H](C)[C@H](N)c1nccn1C 300845603 571984085 /nfs/dbraw/zinc/98/40/85/571984085.db2.gz ALJKSIHGFPJPNX-ZJUUUORDSA-N 0 3 195.310 2.246 10 0 AEAEHN Cc1cc2ccccc2n1CN(C)C 32599925 571984612 /nfs/dbraw/zinc/98/46/12/571984612.db2.gz OYPLAVXFTHAYMQ-UHFFFAOYSA-N 0 3 188.274 2.469 10 0 AEAEHN CCCC[C@H](C)[C@H](N)c1nccn1C 300845599 571984778 /nfs/dbraw/zinc/98/47/78/571984778.db2.gz ALJKSIHGFPJPNX-UWVGGRQHSA-N 0 3 195.310 2.246 10 0 AEAEHN C[C@H](N)c1n[nH]cc1-c1ccccc1 75845368 571984961 /nfs/dbraw/zinc/98/49/61/571984961.db2.gz ZUCMTLFBRWUYSF-QMMMGPOBSA-N 0 3 187.246 2.096 10 0 AEAEHN Cc1oc2c(c1C1(N)CC1)CCCC2 214658022 571986921 /nfs/dbraw/zinc/98/69/21/571986921.db2.gz OCRIEDSSIZNDCY-UHFFFAOYSA-N 0 3 191.274 2.415 10 0 AEAEHN CC[C@@H](C)Sc1cccc(CN)n1 81596375 571987246 /nfs/dbraw/zinc/98/72/46/571987246.db2.gz PZQGPBXFYJFYNT-MRVPVSSYSA-N 0 3 196.319 2.431 10 0 AEAEHN COc1cc(CSC)ccc1CN 234888454 571987383 /nfs/dbraw/zinc/98/73/83/571987383.db2.gz FKCPKNUMTZMYFC-UHFFFAOYSA-N 0 3 197.303 2.017 10 0 AEAEHN CNc1nccn1CCCC1CC1 234492292 571987728 /nfs/dbraw/zinc/98/77/28/571987728.db2.gz GZWLRNWYELHEPI-UHFFFAOYSA-N 0 3 179.267 2.115 10 0 AEAEHN CNc1nccn1CC1CCCC1 234491850 571987907 /nfs/dbraw/zinc/98/79/07/571987907.db2.gz BPACQPZPNFAFRD-UHFFFAOYSA-N 0 3 179.267 2.115 10 0 AEAEHN CNc1nccn1CCC(C)(C)C 234492025 571987957 /nfs/dbraw/zinc/98/79/57/571987957.db2.gz UZOORIKCECXRAZ-UHFFFAOYSA-N 0 3 181.283 2.361 10 0 AEAEHN CNc1nccn1CCCC(C)C 234492241 571988226 /nfs/dbraw/zinc/98/82/26/571988226.db2.gz GENDFEJCTRWEGS-UHFFFAOYSA-N 0 3 181.283 2.361 10 0 AEAEHN CC[C@H](C)Sc1cccc(CN)n1 81596378 571988364 /nfs/dbraw/zinc/98/83/64/571988364.db2.gz PZQGPBXFYJFYNT-QMMMGPOBSA-N 0 3 196.319 2.431 10 0 AEAEHN CNc1nccn1CCC1CCC1 234492149 571988443 /nfs/dbraw/zinc/98/84/43/571988443.db2.gz DCQRJLJHVGRWSV-UHFFFAOYSA-N 0 3 179.267 2.115 10 0 AEAEHN CN[C@H](COC)c1c(C)cccc1C 234490794 571988476 /nfs/dbraw/zinc/98/84/76/571988476.db2.gz YSQLFBVVQYPOEH-LLVKDONJSA-N 0 3 193.290 2.210 10 0 AEAEHN CN[C@@H](CC(C)(C)C)c1ccncn1 713175532 571988648 /nfs/dbraw/zinc/98/86/48/571988648.db2.gz NJPXUNAUESHJNP-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN CN[C@H](CC(C)(C)C)c1ccncn1 713175535 571988671 /nfs/dbraw/zinc/98/86/71/571988671.db2.gz NJPXUNAUESHJNP-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN CNc1nccn1CC(C)(C)SC 234491514 571988787 /nfs/dbraw/zinc/98/87/87/571988787.db2.gz BRMVDBPXUVUNRT-UHFFFAOYSA-N 0 3 199.323 2.066 10 0 AEAEHN c1c[nH]c(-c2ccc3c(c2)CNC3)c1 114051502 571988886 /nfs/dbraw/zinc/98/88/86/571988886.db2.gz PDBSZWMDKJSHRY-UHFFFAOYSA-N 0 3 184.242 2.285 10 0 AEAEHN CCc1cncc([C@H]2CCCN2C)c1 13757379 571989071 /nfs/dbraw/zinc/98/90/71/571989071.db2.gz OENQOTXBICIGII-GFCCVEGCSA-N 0 3 190.290 2.411 10 0 AEAEHN C[C@H]1CC[C@@H](c2cccnc2)N1C 13738869 571989269 /nfs/dbraw/zinc/98/92/69/571989269.db2.gz DZBPBWWCIKAMER-ONGXEEELSA-N 0 3 176.263 2.237 10 0 AEAEHN CNc1nccn1CC[C@@H](C)SC 234493344 571989342 /nfs/dbraw/zinc/98/93/42/571989342.db2.gz FECFCVHDAAHKET-MRVPVSSYSA-N 0 3 199.323 2.066 10 0 AEAEHN C[C@@H]1CC[C@@H](c2cccnc2)N1C 13738868 571989556 /nfs/dbraw/zinc/98/95/56/571989556.db2.gz DZBPBWWCIKAMER-KOLCDFICSA-N 0 3 176.263 2.237 10 0 AEAEHN CC(C)CSc1cccc(CN)n1 81596345 571989703 /nfs/dbraw/zinc/98/97/03/571989703.db2.gz LMVPOHKZGCXQCL-UHFFFAOYSA-N 0 3 196.319 2.288 10 0 AEAEHN CNc1nccn1C[C@@H](C)C(C)C 234494067 571990225 /nfs/dbraw/zinc/99/02/25/571990225.db2.gz GQTJCXFMNLJZDF-SECBINFHSA-N 0 3 181.283 2.217 10 0 AEAEHN CNc1nccn1CC[C@H](C)SC 234493432 571989867 /nfs/dbraw/zinc/98/98/67/571989867.db2.gz FECFCVHDAAHKET-QMMMGPOBSA-N 0 3 199.323 2.066 10 0 AEAEHN CNc1nccn1CCCCSC 234492454 571989949 /nfs/dbraw/zinc/98/99/49/571989949.db2.gz JASMXHPINQFSOZ-UHFFFAOYSA-N 0 3 199.323 2.068 10 0 AEAEHN CCOC[C@](C)(N)c1sccc1C 230077410 571990182 /nfs/dbraw/zinc/99/01/82/571990182.db2.gz AVQSWLZWCJBSGQ-JTQLQIEISA-N 0 3 199.319 2.267 10 0 AEAEHN CCc1cncc([C@@H]2CCCN2C)c1 13757377 571990826 /nfs/dbraw/zinc/99/08/26/571990826.db2.gz OENQOTXBICIGII-LBPRGKRZSA-N 0 3 190.290 2.411 10 0 AEAEHN CCc1ccc([C@@H]2CCCN2C)cn1 13819443 571991075 /nfs/dbraw/zinc/99/10/75/571991075.db2.gz WQDQDLHATTVJSW-LBPRGKRZSA-N 0 3 190.290 2.411 10 0 AEAEHN CNc1nccn1[C@@H](C)CC1CC1 234497794 571991339 /nfs/dbraw/zinc/99/13/39/571991339.db2.gz DSWVNIZZRQFKCX-QMMMGPOBSA-N 0 3 179.267 2.286 10 0 AEAEHN CNc1nccn1[C@@H](C)C1CCC1 234497614 571991357 /nfs/dbraw/zinc/99/13/57/571991357.db2.gz NLBBTGBTKKFCAK-QMMMGPOBSA-N 0 3 179.267 2.286 10 0 AEAEHN NCc1nccc2cc3cc[nH]c3cc12 74239881 571991495 /nfs/dbraw/zinc/99/14/95/571991495.db2.gz FOJCJPQPRVSRIM-UHFFFAOYSA-N 0 3 197.241 2.175 10 0 AEAEHN C[C@H]1CN(CC(C)(C)C)C[C@H](C)C1=O 713178978 571991596 /nfs/dbraw/zinc/99/15/96/571991596.db2.gz DLRZFUMFKWNDRI-UWVGGRQHSA-N 0 3 197.322 2.189 10 0 AEAEHN CN1CC[C@H](CF)[C@H]1c1cccnc1 13738854 571991635 /nfs/dbraw/zinc/99/16/35/571991635.db2.gz PLOSIAMCLIOVAZ-KOLCDFICSA-N 0 3 194.253 2.044 10 0 AEAEHN CN[C@H](CC1=CCCC1)c1ncc[nH]1 400759039 571991828 /nfs/dbraw/zinc/99/18/28/571991828.db2.gz YSAAOHJXCTWEAK-SNVBAGLBSA-N 0 3 191.278 2.171 10 0 AEAEHN C[C@H]1CN(CC(C)(C)C)C[C@@H](C)C1=O 713178976 571991901 /nfs/dbraw/zinc/99/19/01/571991901.db2.gz DLRZFUMFKWNDRI-AOOOYVTPSA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@@H]1CN(CC(C)(C)C)C[C@@H](C)C1=O 713178977 571992156 /nfs/dbraw/zinc/99/21/56/571992156.db2.gz DLRZFUMFKWNDRI-NXEZZACHSA-N 0 3 197.322 2.189 10 0 AEAEHN CNc1nccn1[C@@H](C)CCSC 234498021 571992315 /nfs/dbraw/zinc/99/23/15/571992315.db2.gz KPCHWYHCURGLSB-QMMMGPOBSA-N 0 3 199.323 2.239 10 0 AEAEHN Cc1c2c(nc3ccccc13)CNC2 41651937 571992394 /nfs/dbraw/zinc/99/23/94/571992394.db2.gz JMOBLRKNWAXHJC-UHFFFAOYSA-N 0 3 184.242 2.146 10 0 AEAEHN CCOC1CC(Nc2ccncc2)C1 233763627 571992539 /nfs/dbraw/zinc/99/25/39/571992539.db2.gz LPLHGICNWDMWHJ-UHFFFAOYSA-N 0 3 192.262 2.061 10 0 AEAEHN CCCC[C@@H](C)NCc1cccnn1 300215862 571993651 /nfs/dbraw/zinc/99/36/51/571993651.db2.gz JAQHSQWYYFXLJF-SNVBAGLBSA-N 0 3 193.294 2.145 10 0 AEAEHN CN1CC[C@H](CF)[C@@H]1c1cccnc1 13904693 571994894 /nfs/dbraw/zinc/99/48/94/571994894.db2.gz PLOSIAMCLIOVAZ-MWLCHTKSSA-N 0 3 194.253 2.044 10 0 AEAEHN CC[C@@H]1C[C@@H]1c1nc(C)c(CNC)o1 400781143 571995618 /nfs/dbraw/zinc/99/56/18/571995618.db2.gz RZGHDHJMIZQORO-BDAKNGLRSA-N 0 3 194.278 2.216 10 0 AEAEHN CCN[C@@H](c1cc(C)n(C)n1)C(C)C 300870003 571996288 /nfs/dbraw/zinc/99/62/88/571996288.db2.gz JVSHLCGNBHNSJI-LLVKDONJSA-N 0 3 195.310 2.035 10 0 AEAEHN CC[C@H]1C[C@@H]1c1nc(C)c(CNC)o1 400781648 571997200 /nfs/dbraw/zinc/99/72/00/571997200.db2.gz RZGHDHJMIZQORO-IUCAKERBSA-N 0 3 194.278 2.216 10 0 AEAEHN CCC(C)(C)CN1CC(O)(C(C)C)C1 713180460 571998100 /nfs/dbraw/zinc/99/81/00/571998100.db2.gz ASIBXYCRRHMWMF-UHFFFAOYSA-N 0 3 199.338 2.125 10 0 AEAEHN C[C@H]1CCC[C@@H]1Nc1ncc[nH]1 235570251 571998175 /nfs/dbraw/zinc/99/81/75/571998175.db2.gz PYFYKWJAJWNWIC-YUMQZZPRSA-N 0 3 165.240 2.010 10 0 AEAEHN Cc1c[nH]c(N[C@H]2CCC[C@@H]2C)n1 235569338 571998527 /nfs/dbraw/zinc/99/85/27/571998527.db2.gz ROFDMMMOXYUJIF-CBAPKCEASA-N 0 3 179.267 2.319 10 0 AEAEHN CCOc1c(F)cccc1[C@@H](C)N 233779441 571999159 /nfs/dbraw/zinc/99/91/59/571999159.db2.gz IXOBQAKOPALYEV-SSDOTTSWSA-N 0 3 183.226 2.244 10 0 AEAEHN CC(C)NCC(=O)c1ccc(F)cc1 33884945 571999435 /nfs/dbraw/zinc/99/94/35/571999435.db2.gz CHCHSONQFFZQBZ-UHFFFAOYSA-N 0 3 195.237 2.006 10 0 AEAEHN Cc1nc(N)cc2c1CCCCC2 39204272 571999577 /nfs/dbraw/zinc/99/95/77/571999577.db2.gz RZFKFXOSWYOZAQ-UHFFFAOYSA-N 0 3 176.263 2.241 10 0 AEAEHN CCOc1c(F)cccc1[C@H](C)N 233779474 571999917 /nfs/dbraw/zinc/99/99/17/571999917.db2.gz IXOBQAKOPALYEV-ZETCQYMHSA-N 0 3 183.226 2.244 10 0 AEAEHN CNc1nccn1[C@@H]1CCC[C@@H]1C 234501022 572000571 /nfs/dbraw/zinc/00/05/71/572000571.db2.gz KABUSEHGSSMPMA-DTWKUNHWSA-N 0 3 179.267 2.286 10 0 AEAEHN CC(C)C[C@@H](C)N(C)CC(=O)C1CC1 68895051 572000906 /nfs/dbraw/zinc/00/09/06/572000906.db2.gz IXNDWFMPCVFGOB-SNVBAGLBSA-N 0 3 197.322 2.332 10 0 AEAEHN CNc1nccn1[C@@H]1CC[C@@H](C)C1 234501795 572001305 /nfs/dbraw/zinc/00/13/05/572001305.db2.gz NSQVNBONKSSULT-RKDXNWHRSA-N 0 3 179.267 2.286 10 0 AEAEHN CC(C)CN(CC(=O)C1CC1)C1CC1 68895048 572001378 /nfs/dbraw/zinc/00/13/78/572001378.db2.gz ZQFDFRYSHCTITE-UHFFFAOYSA-N 0 3 195.306 2.086 10 0 AEAEHN CC(C)C[C@H](C)N(C)CC(=O)C1CC1 68895053 572001767 /nfs/dbraw/zinc/00/17/67/572001767.db2.gz IXNDWFMPCVFGOB-JTQLQIEISA-N 0 3 197.322 2.332 10 0 AEAEHN CCCN(CC(=O)C1CC1)CC1CC1 68894875 572001558 /nfs/dbraw/zinc/00/15/58/572001558.db2.gz CVQIHELEJGXSIJ-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CNc1nccn1[C@H](C)CCSC 234503041 572001823 /nfs/dbraw/zinc/00/18/23/572001823.db2.gz KPCHWYHCURGLSB-MRVPVSSYSA-N 0 3 199.323 2.239 10 0 AEAEHN CNc1nccn1[C@H](C)CC1CC1 234502878 572001970 /nfs/dbraw/zinc/00/19/70/572001970.db2.gz DSWVNIZZRQFKCX-MRVPVSSYSA-N 0 3 179.267 2.286 10 0 AEAEHN CCC1CCN(CC(=O)C2CC2)CC1 68894762 572002110 /nfs/dbraw/zinc/00/21/10/572002110.db2.gz PQSCKFKVHXCDJP-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN C[C@H](N(C)CC(=O)C1CC1)C(C)(C)C 68895229 572002376 /nfs/dbraw/zinc/00/23/76/572002376.db2.gz QNGAOIJHESCYOP-VIFPVBQESA-N 0 3 197.322 2.332 10 0 AEAEHN CNc1nccn1[C@H]1CCC[C@H]1C 234505330 572002380 /nfs/dbraw/zinc/00/23/80/572002380.db2.gz KABUSEHGSSMPMA-BDAKNGLRSA-N 0 3 179.267 2.286 10 0 AEAEHN CNc1nccn1[C@H]1CC[C@H](C)C1 234505929 572002774 /nfs/dbraw/zinc/00/27/74/572002774.db2.gz NSQVNBONKSSULT-IUCAKERBSA-N 0 3 179.267 2.286 10 0 AEAEHN CNc1nccn1[C@@H]1CCC[C@H]1C 234501169 572003056 /nfs/dbraw/zinc/00/30/56/572003056.db2.gz KABUSEHGSSMPMA-RKDXNWHRSA-N 0 3 179.267 2.286 10 0 AEAEHN CNc1nccn1[C@H]1CCC[C@@H]1C 234505205 572002890 /nfs/dbraw/zinc/00/28/90/572002890.db2.gz KABUSEHGSSMPMA-IUCAKERBSA-N 0 3 179.267 2.286 10 0 AEAEHN CC(C)CN(CC(=O)C1CC1)C(C)C 68895078 572002909 /nfs/dbraw/zinc/00/29/09/572002909.db2.gz ZMCSCUZOINXFLN-UHFFFAOYSA-N 0 3 197.322 2.332 10 0 AEAEHN CNc1nccn1[C@@H]1CC[C@H](C)C1 234501978 572002969 /nfs/dbraw/zinc/00/29/69/572002969.db2.gz NSQVNBONKSSULT-DTWKUNHWSA-N 0 3 179.267 2.286 10 0 AEAEHN CNc1nccn1[C@H](C)C1CCC1 234502753 572003248 /nfs/dbraw/zinc/00/32/48/572003248.db2.gz NLBBTGBTKKFCAK-MRVPVSSYSA-N 0 3 179.267 2.286 10 0 AEAEHN CCCCN(CC(=O)C1CC1)C1CC1 68894901 572003265 /nfs/dbraw/zinc/00/32/65/572003265.db2.gz PVVIGNXXWRWOAS-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H](N(C)CC(=O)C1CC1)C(C)(C)C 68895232 572003316 /nfs/dbraw/zinc/00/33/16/572003316.db2.gz QNGAOIJHESCYOP-SECBINFHSA-N 0 3 197.322 2.332 10 0 AEAEHN CNc1nccn1[C@H]1CC[C@@H](C)C1 234505800 572003439 /nfs/dbraw/zinc/00/34/39/572003439.db2.gz NSQVNBONKSSULT-BDAKNGLRSA-N 0 3 179.267 2.286 10 0 AEAEHN CCCc1cccc2c1OCCNC2 165197038 572004297 /nfs/dbraw/zinc/00/42/97/572004297.db2.gz MYOYMTGCLJJQIS-UHFFFAOYSA-N 0 3 191.274 2.121 10 0 AEAEHN Cn1c(C2CCCC2)cc2c1CNC2 76634792 572004629 /nfs/dbraw/zinc/00/46/29/572004629.db2.gz VOSOKSZPRFCIAY-UHFFFAOYSA-N 0 3 190.290 2.286 10 0 AEAEHN CCCN(CCC)[C@H](C)C(C)=O 35022074 572006605 /nfs/dbraw/zinc/00/66/05/572006605.db2.gz OPEWSCVQZVNTJG-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CCCCN(C)CC(=O)C(C)(C)C 34989485 572007323 /nfs/dbraw/zinc/00/73/23/572007323.db2.gz MSAWDLOGBPGWFS-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCN(CCC)[C@@H](C)C(C)=O 35022072 572007355 /nfs/dbraw/zinc/00/73/55/572007355.db2.gz OPEWSCVQZVNTJG-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CCCCN(CC)[C@@H](C)C(C)=O 35036316 572009274 /nfs/dbraw/zinc/00/92/74/572009274.db2.gz LTHAJAQGQDFDBB-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CCN[C@H](CSC)c1ccco1 68980081 572009640 /nfs/dbraw/zinc/00/96/40/572009640.db2.gz WGJXMEMIXKIHLG-MRVPVSSYSA-N 0 3 185.292 2.293 10 0 AEAEHN CCNC(=N)c1nccc2ccccc12 68959111 572009689 /nfs/dbraw/zinc/00/96/89/572009689.db2.gz RMHRVNMZOZCAON-UHFFFAOYSA-N 0 3 199.257 2.170 10 0 AEAEHN CCCCN(CC)[C@H](C)C(C)=O 35036318 572009885 /nfs/dbraw/zinc/00/98/85/572009885.db2.gz LTHAJAQGQDFDBB-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CCN[C@H](CSC)c1ccoc1 68980077 572009933 /nfs/dbraw/zinc/00/99/33/572009933.db2.gz QZMAGPGOSGYVAQ-SECBINFHSA-N 0 3 185.292 2.293 10 0 AEAEHN CCCOC[C@@H](NCC)c1ccoc1 68979970 572010477 /nfs/dbraw/zinc/01/04/77/572010477.db2.gz WCDROWKJUVWOHY-LLVKDONJSA-N 0 3 197.278 2.357 10 0 AEAEHN CCN[C@@H](CSC)c1ccoc1 68980074 572010929 /nfs/dbraw/zinc/01/09/29/572010929.db2.gz QZMAGPGOSGYVAQ-VIFPVBQESA-N 0 3 185.292 2.293 10 0 AEAEHN CCCOC[C@H](NCC)c1ccoc1 68979969 572011110 /nfs/dbraw/zinc/01/11/10/572011110.db2.gz WCDROWKJUVWOHY-NSHDSACASA-N 0 3 197.278 2.357 10 0 AEAEHN Cc1ccc([C@H](N)CC(C)(C)C)nn1 713191544 572011527 /nfs/dbraw/zinc/01/15/27/572011527.db2.gz ULMPBVCZLWGHCT-SECBINFHSA-N 0 3 193.294 2.221 10 0 AEAEHN Cc1ccc([C@@H](N)CC(C)(C)C)nn1 713191554 572011533 /nfs/dbraw/zinc/01/15/33/572011533.db2.gz ULMPBVCZLWGHCT-VIFPVBQESA-N 0 3 193.294 2.221 10 0 AEAEHN NC[C@@H](F)CCc1cccc(F)c1 219647024 572012089 /nfs/dbraw/zinc/01/20/89/572012089.db2.gz KPQUIQGJOJAHPK-JTQLQIEISA-N 0 3 185.217 2.055 10 0 AEAEHN CCN(CC1CC1)[C@H]1CCCCC1=O 68947498 572012729 /nfs/dbraw/zinc/01/27/29/572012729.db2.gz HOBYJFBLZQJSOT-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1c(CN)cnn1C1CCCCC1 42355983 572012926 /nfs/dbraw/zinc/01/29/26/572012926.db2.gz IICXXPNFFKMXEA-UHFFFAOYSA-N 0 3 193.294 2.155 10 0 AEAEHN CCCC(=O)CN1CC[C@H]2CCC[C@H]21 393454749 572013205 /nfs/dbraw/zinc/01/32/05/572013205.db2.gz BEYHVDHBXUDZIF-ZYHUDNBSSA-N 0 3 195.306 2.230 10 0 AEAEHN CCCC(=O)CN1CC[C@H]2CCC[C@@H]21 393454746 572013555 /nfs/dbraw/zinc/01/35/55/572013555.db2.gz BEYHVDHBXUDZIF-PWSUYJOCSA-N 0 3 195.306 2.230 10 0 AEAEHN CCN(CC(=O)C(C)(C)C)CC1CC1 68947487 572013734 /nfs/dbraw/zinc/01/37/34/572013734.db2.gz IBMQPWXAIZTERK-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN CCN(CC1CC1)[C@@H]1CCCCC1=O 68947497 572013927 /nfs/dbraw/zinc/01/39/27/572013927.db2.gz HOBYJFBLZQJSOT-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN CCCC[C@H](C)[C@@H](N)c1ccnn1C 300884237 572013935 /nfs/dbraw/zinc/01/39/35/572013935.db2.gz GPADJIXTGDKBQU-GXSJLCMTSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCC(=O)CN(CC)CC1CC1 68947491 572013971 /nfs/dbraw/zinc/01/39/71/572013971.db2.gz VBFKAOSXNWKMDY-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN NC[C@H](F)CCc1ccccc1F 219647426 572014284 /nfs/dbraw/zinc/01/42/84/572014284.db2.gz MJKMUHVIQKHLFY-SECBINFHSA-N 0 3 185.217 2.055 10 0 AEAEHN CCCC(=O)CN1CC[C@@H]2CCC[C@@H]21 393454742 572014436 /nfs/dbraw/zinc/01/44/36/572014436.db2.gz BEYHVDHBXUDZIF-JQWIXIFHSA-N 0 3 195.306 2.230 10 0 AEAEHN CCCC[C@H](C)[C@H](N)c1ccnn1C 300884243 572015054 /nfs/dbraw/zinc/01/50/54/572015054.db2.gz GPADJIXTGDKBQU-ONGXEEELSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCC[C@@H](C)[C@@H](N)c1ccnn1C 300884241 572015103 /nfs/dbraw/zinc/01/51/03/572015103.db2.gz GPADJIXTGDKBQU-MWLCHTKSSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCC[C@@H](C)[C@H](N)c1ccnn1C 300884239 572015595 /nfs/dbraw/zinc/01/55/95/572015595.db2.gz GPADJIXTGDKBQU-KOLCDFICSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCC(=O)CCN1CCCCC1 82044471 572016371 /nfs/dbraw/zinc/01/63/71/572016371.db2.gz QGVGILKCNARCOU-UHFFFAOYSA-N 0 3 183.295 2.232 10 0 AEAEHN CSC[C@@H](C)CNCc1ccoc1 68999624 572017432 /nfs/dbraw/zinc/01/74/32/572017432.db2.gz WLAZZTPQEBESDA-VIFPVBQESA-N 0 3 199.319 2.368 10 0 AEAEHN CSC[C@H](C)CNCc1ccoc1 68999628 572017609 /nfs/dbraw/zinc/01/76/09/572017609.db2.gz WLAZZTPQEBESDA-SECBINFHSA-N 0 3 199.319 2.368 10 0 AEAEHN CCC(C)(C)N(C)CC(=O)C1CC1 69000206 572017936 /nfs/dbraw/zinc/01/79/36/572017936.db2.gz XPHDBLBVHRLUAY-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CCCCCNC1=N[C@H](C)CS1 35294632 572018022 /nfs/dbraw/zinc/01/80/22/572018022.db2.gz KEQLXDMWLVFDCI-MRVPVSSYSA-N 0 3 186.324 2.258 10 0 AEAEHN CCCc1ncc(CN)c(C(C)C)n1 300887679 572018779 /nfs/dbraw/zinc/01/87/79/572018779.db2.gz TVZROSDCHQCHFL-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CCCCNC1=N[C@H](CC)CS1 35294604 572018791 /nfs/dbraw/zinc/01/87/91/572018791.db2.gz DEBLCJBEFDEIGF-MRVPVSSYSA-N 0 3 186.324 2.258 10 0 AEAEHN CSC[C@@H](C)CNCc1ccco1 68998965 572019255 /nfs/dbraw/zinc/01/92/55/572019255.db2.gz WGNGKYCVCMYSOS-VIFPVBQESA-N 0 3 199.319 2.368 10 0 AEAEHN CCC(C)(C)N(C)[C@@H](C)C(C)=O 69000178 572019336 /nfs/dbraw/zinc/01/93/36/572019336.db2.gz JPRAZCBWHSOLFR-QMMMGPOBSA-N 0 3 171.284 2.084 10 0 AEAEHN CCCCNC1=N[C@@H](CC)CS1 35294605 572019356 /nfs/dbraw/zinc/01/93/56/572019356.db2.gz DEBLCJBEFDEIGF-QMMMGPOBSA-N 0 3 186.324 2.258 10 0 AEAEHN CCCCCNC1=N[C@@H](C)CS1 35294633 572019396 /nfs/dbraw/zinc/01/93/96/572019396.db2.gz KEQLXDMWLVFDCI-QMMMGPOBSA-N 0 3 186.324 2.258 10 0 AEAEHN CSC[C@H](C)CNc1ccncc1 69013231 572020574 /nfs/dbraw/zinc/02/05/74/572020574.db2.gz FJHUBVGLZCRDBH-SECBINFHSA-N 0 3 196.319 2.493 10 0 AEAEHN CSC[C@@H](C)CNc1ccncc1 69013230 572020866 /nfs/dbraw/zinc/02/08/66/572020866.db2.gz FJHUBVGLZCRDBH-VIFPVBQESA-N 0 3 196.319 2.493 10 0 AEAEHN c1noc(C2CCC2)c1CNC1CC1 393463889 572021955 /nfs/dbraw/zinc/02/19/55/572021955.db2.gz XWMCWWYMBVCVAA-UHFFFAOYSA-N 0 3 192.262 2.194 10 0 AEAEHN CN[C@@H](CCC(C)C)c1ccnn1C 69021287 572023105 /nfs/dbraw/zinc/02/31/05/572023105.db2.gz HWDGJPYNQPYKPR-JTQLQIEISA-N 0 3 195.310 2.117 10 0 AEAEHN CN[C@H](CCC(C)C)c1ccnn1C 69021288 572023359 /nfs/dbraw/zinc/02/33/59/572023359.db2.gz HWDGJPYNQPYKPR-SNVBAGLBSA-N 0 3 195.310 2.117 10 0 AEAEHN CC(C)C[C@@H](N)C(=O)C1CCCC1 82393690 572023558 /nfs/dbraw/zinc/02/35/58/572023558.db2.gz JCJRGCKTRUYSOE-SNVBAGLBSA-N 0 3 183.295 2.119 10 0 AEAEHN CC(C)C[C@H](N)C(=O)C1CCCC1 82393688 572023694 /nfs/dbraw/zinc/02/36/94/572023694.db2.gz JCJRGCKTRUYSOE-JTQLQIEISA-N 0 3 183.295 2.119 10 0 AEAEHN CC(C)(C)CCCn1cnc(CN)c1 300889194 572024022 /nfs/dbraw/zinc/02/40/22/572024022.db2.gz PLBHKTBYYMVNBN-UHFFFAOYSA-N 0 3 195.310 2.168 10 0 AEAEHN CCCCN(C1CC1)[C@@H](C)C(C)=O 42490801 572024905 /nfs/dbraw/zinc/02/49/05/572024905.db2.gz DLWKPYOXZHDHHX-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CCc1nc(C)sc1CNC1CC1 82422395 572026195 /nfs/dbraw/zinc/02/61/95/572026195.db2.gz KTRXUQJBUIUIRS-UHFFFAOYSA-N 0 3 196.319 2.266 10 0 AEAEHN CCc1nc(C2CC2)sc1CNC 82423786 572026387 /nfs/dbraw/zinc/02/63/87/572026387.db2.gz NUSZLTJLKVZVCN-UHFFFAOYSA-N 0 3 196.319 2.302 10 0 AEAEHN CCc1nc(C2CC2)c(CNC)s1 82435142 572026465 /nfs/dbraw/zinc/02/64/65/572026465.db2.gz PCPOQCFFVUIOKE-UHFFFAOYSA-N 0 3 196.319 2.302 10 0 AEAEHN CCCn1nccc1[C@H](N)C(C)(C)C 69025209 572026531 /nfs/dbraw/zinc/02/65/31/572026531.db2.gz JKGULSWJXGNWHX-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CCn1nccc1[C@H](N)CC(C)(C)C 69026559 572026544 /nfs/dbraw/zinc/02/65/44/572026544.db2.gz KJLYZLCZQMRYQW-SECBINFHSA-N 0 3 195.310 2.339 10 0 AEAEHN CCn1nccc1[C@@H](N)CC(C)(C)C 69026564 572026574 /nfs/dbraw/zinc/02/65/74/572026574.db2.gz KJLYZLCZQMRYQW-VIFPVBQESA-N 0 3 195.310 2.339 10 0 AEAEHN CCc1ncsc1CNC(C)C 82422335 572026888 /nfs/dbraw/zinc/02/68/88/572026888.db2.gz XZBZRFIWYFGYRN-UHFFFAOYSA-N 0 3 184.308 2.204 10 0 AEAEHN CCCn1nccc1[C@@H](N)C(C)(C)C 69025218 572026912 /nfs/dbraw/zinc/02/69/12/572026912.db2.gz JKGULSWJXGNWHX-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@H](NC)c1ccnn1CCC 69025593 572026953 /nfs/dbraw/zinc/02/69/53/572026953.db2.gz FLWPJWLESBGZOU-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCn1nccc1[C@@H](N)CCC(C)C 69026049 572027091 /nfs/dbraw/zinc/02/70/91/572027091.db2.gz WIOUYBFSUJSUIC-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CCCn1nccc1[C@H](N)[C@H](C)CC 69026434 572027150 /nfs/dbraw/zinc/02/71/50/572027150.db2.gz RAMYFVLMWFOHNK-MWLCHTKSSA-N 0 3 195.310 2.339 10 0 AEAEHN Cc1ccc(OCC(C)C)c(CN)c1 82426843 572027424 /nfs/dbraw/zinc/02/74/24/572027424.db2.gz VQZZHEXXKFSVFU-UHFFFAOYSA-N 0 3 193.290 2.489 10 0 AEAEHN CN[C@H](CC(C)(C)C)c1cnccn1 69049357 572027544 /nfs/dbraw/zinc/02/75/44/572027544.db2.gz ZOAFOHUPOGPAHS-SECBINFHSA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@H](c1cnccn1)[C@H](C)CC 69049338 572027551 /nfs/dbraw/zinc/02/75/51/572027551.db2.gz LDQQQHZABFJGLE-KOLCDFICSA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@H](c1cnccn1)[C@@H](C)CC 69049340 572028097 /nfs/dbraw/zinc/02/80/97/572028097.db2.gz LDQQQHZABFJGLE-ONGXEEELSA-N 0 3 193.294 2.173 10 0 AEAEHN CCc1nc(CC(C)C)sc1CN 82423864 572028109 /nfs/dbraw/zinc/02/81/09/572028109.db2.gz PJRMFBNZIDQYKR-UHFFFAOYSA-N 0 3 198.335 2.363 10 0 AEAEHN CCN[C@@H](c1cnccn1)[C@@H](C)CC 69049343 572028411 /nfs/dbraw/zinc/02/84/11/572028411.db2.gz LDQQQHZABFJGLE-GXSJLCMTSA-N 0 3 193.294 2.173 10 0 AEAEHN CN[C@@H](CC(C)(C)C)c1cnccn1 69049356 572028521 /nfs/dbraw/zinc/02/85/21/572028521.db2.gz ZOAFOHUPOGPAHS-VIFPVBQESA-N 0 3 193.294 2.173 10 0 AEAEHN CCNCC(=O)C[C@@H](C)CC(C)C 300896200 572028688 /nfs/dbraw/zinc/02/86/88/572028688.db2.gz KLEHENGBYQJYRT-JTQLQIEISA-N 0 3 185.311 2.237 10 0 AEAEHN CCN[C@@H](c1cnccn1)[C@H](C)CC 69049341 572029274 /nfs/dbraw/zinc/02/92/74/572029274.db2.gz LDQQQHZABFJGLE-MWLCHTKSSA-N 0 3 193.294 2.173 10 0 AEAEHN CNCc1c[nH]c(CCC(C)(C)C)n1 300896365 572028801 /nfs/dbraw/zinc/02/88/01/572028801.db2.gz QHIGRSLSTBHONF-UHFFFAOYSA-N 0 3 195.310 2.108 10 0 AEAEHN CNCc1cnc(CCC(C)(C)C)[nH]1 300896365 572028804 /nfs/dbraw/zinc/02/88/04/572028804.db2.gz QHIGRSLSTBHONF-UHFFFAOYSA-N 0 3 195.310 2.108 10 0 AEAEHN CCN(CC)C(=N)c1cccc(C)n1 82451982 572030589 /nfs/dbraw/zinc/03/05/89/572030589.db2.gz SYFNNALWNZSUPP-UHFFFAOYSA-N 0 3 191.278 2.057 10 0 AEAEHN CCN[C@H](CC)c1cccc(C)n1 82451740 572029583 /nfs/dbraw/zinc/02/95/83/572029583.db2.gz VUJHIHBMGFBJSM-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CCCN[C@H](C)c1cccc(C)n1 82451802 572029596 /nfs/dbraw/zinc/02/95/96/572029596.db2.gz LOENVAIYYFKEDO-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CCC[C@@H](NC)c1cccc(C)n1 82451629 572029774 /nfs/dbraw/zinc/02/97/74/572029774.db2.gz CLYXKNUWYXARJJ-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CN[C@@H]1COc2c1ccc1ccccc21 35652742 572030604 /nfs/dbraw/zinc/03/06/04/572030604.db2.gz GTEZPLKVUXUXHJ-GFCCVEGCSA-N 0 3 199.253 2.493 10 0 AEAEHN CCCN[C@@H](C)c1cccc(C)n1 82451800 572030061 /nfs/dbraw/zinc/03/00/61/572030061.db2.gz LOENVAIYYFKEDO-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CCC[C@H](NC)c1cccc(C)n1 82451628 572030343 /nfs/dbraw/zinc/03/03/43/572030343.db2.gz CLYXKNUWYXARJJ-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CN[C@H]1COc2c1ccc1ccccc21 35652743 572031004 /nfs/dbraw/zinc/03/10/04/572031004.db2.gz GTEZPLKVUXUXHJ-LBPRGKRZSA-N 0 3 199.253 2.493 10 0 AEAEHN Cc1c[nH]c(N[C@@H]2CCC[C@@H]2C)n1 235585151 572031610 /nfs/dbraw/zinc/03/16/10/572031610.db2.gz ROFDMMMOXYUJIF-IONNQARKSA-N 0 3 179.267 2.319 10 0 AEAEHN C[C@](N)(c1ccccc1)c1ccc[nH]1 687776053 572032488 /nfs/dbraw/zinc/03/24/88/572032488.db2.gz MVTQRJNMWXVQSY-LBPRGKRZSA-N 0 3 186.258 2.237 10 0 AEAEHN C[C@@](N)(c1ccccc1)c1ccc[nH]1 687776052 572032579 /nfs/dbraw/zinc/03/25/79/572032579.db2.gz MVTQRJNMWXVQSY-GFCCVEGCSA-N 0 3 186.258 2.237 10 0 AEAEHN CC[C@@H](C)Sc1ccc(CN)cn1 35719951 572032629 /nfs/dbraw/zinc/03/26/29/572032629.db2.gz MHYBTZIIMBRPEY-MRVPVSSYSA-N 0 3 196.319 2.431 10 0 AEAEHN CCCC[C@@H](C)[C@H](N)c1ccn(C)n1 300897951 572032994 /nfs/dbraw/zinc/03/29/94/572032994.db2.gz IMQZIRBWBOVHKV-KOLCDFICSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCC[C@@H](C)[C@@H](N)c1ccn(C)n1 300897954 572033043 /nfs/dbraw/zinc/03/30/43/572033043.db2.gz IMQZIRBWBOVHKV-MWLCHTKSSA-N 0 3 195.310 2.246 10 0 AEAEHN CC[C@@H](C)Sc1ncccc1CN 35719946 572033175 /nfs/dbraw/zinc/03/31/75/572033175.db2.gz WQELMANBEGIGRH-MRVPVSSYSA-N 0 3 196.319 2.431 10 0 AEAEHN CCn1cc2c3c(cccc31)CNC2 33756398 572033298 /nfs/dbraw/zinc/03/32/98/572033298.db2.gz AFPUOTKEEUBHOR-UHFFFAOYSA-N 0 3 186.258 2.264 10 0 AEAEHN CC[C@H](C)[C@@H](C)NC1=NCCS1 42557872 572033875 /nfs/dbraw/zinc/03/38/75/572033875.db2.gz DQARHKBBNJNCAC-JGVFFNPUSA-N 0 3 186.324 2.113 10 0 AEAEHN CCCC[C@H](C)[C@H](N)c1ccn(C)n1 300897956 572034058 /nfs/dbraw/zinc/03/40/58/572034058.db2.gz IMQZIRBWBOVHKV-ONGXEEELSA-N 0 3 195.310 2.246 10 0 AEAEHN C[C@H]1CCC[C@H]1Nc1ncc[nH]1 235586274 572034142 /nfs/dbraw/zinc/03/41/42/572034142.db2.gz PYFYKWJAJWNWIC-JGVFFNPUSA-N 0 3 165.240 2.010 10 0 AEAEHN CC(C)CN(C1CC1)[C@H]1CCCC1=O 42558512 572034247 /nfs/dbraw/zinc/03/42/47/572034247.db2.gz RMBSJGAUZZJAJO-NSHDSACASA-N 0 3 195.306 2.228 10 0 AEAEHN CC[C@H](C)Sc1ccc(CN)cn1 35719952 572034252 /nfs/dbraw/zinc/03/42/52/572034252.db2.gz MHYBTZIIMBRPEY-QMMMGPOBSA-N 0 3 196.319 2.431 10 0 AEAEHN CSCC[C@@H](C)Nc1nc(C)c[nH]1 235034797 572034264 /nfs/dbraw/zinc/03/42/64/572034264.db2.gz PGNJEQLLXPFDMI-SSDOTTSWSA-N 0 3 199.323 2.272 10 0 AEAEHN CCCn1ccnc1C1(N)CCCC1 687776298 572034269 /nfs/dbraw/zinc/03/42/69/572034269.db2.gz MOFNIQLWAMGAMM-UHFFFAOYSA-N 0 3 193.294 2.021 10 0 AEAEHN CCCC[C@H](C)[C@@H](N)c1ccn(C)n1 300897949 572034438 /nfs/dbraw/zinc/03/44/38/572034438.db2.gz IMQZIRBWBOVHKV-GXSJLCMTSA-N 0 3 195.310 2.246 10 0 AEAEHN CC(C)CSc1ccc(CN)cn1 35719884 572035306 /nfs/dbraw/zinc/03/53/06/572035306.db2.gz XPTRXTOMZHHIAP-UHFFFAOYSA-N 0 3 196.319 2.288 10 0 AEAEHN C[C@H]1CCC[C@H](c2ccoc2)N1 33834909 572035880 /nfs/dbraw/zinc/03/58/80/572035880.db2.gz RWFWNCFIRFSWMN-WCBMZHEXSA-N 0 3 165.236 2.483 10 0 AEAEHN CC[C@@H](C)[C@H](C)NC1=NCCS1 42557875 572036019 /nfs/dbraw/zinc/03/60/19/572036019.db2.gz DQARHKBBNJNCAC-SFYZADRCSA-N 0 3 186.324 2.113 10 0 AEAEHN CC(C)CN(C1CC1)[C@@H]1CCCC1=O 42558509 572036701 /nfs/dbraw/zinc/03/67/01/572036701.db2.gz RMBSJGAUZZJAJO-LLVKDONJSA-N 0 3 195.306 2.228 10 0 AEAEHN CC[C@@H](C)[C@@H](C)NC1=NCCS1 42557869 572036992 /nfs/dbraw/zinc/03/69/92/572036992.db2.gz DQARHKBBNJNCAC-HTQZYQBOSA-N 0 3 186.324 2.113 10 0 AEAEHN C[C@H]1CCC[C@@H](c2ccoc2)N1 33834908 572037331 /nfs/dbraw/zinc/03/73/31/572037331.db2.gz RWFWNCFIRFSWMN-WPRPVWTQSA-N 0 3 165.236 2.483 10 0 AEAEHN CSC[C@@H](C)CNc1nc(C)c[nH]1 235035483 572037523 /nfs/dbraw/zinc/03/75/23/572037523.db2.gz LPNRXVKEMIKCND-ZETCQYMHSA-N 0 3 199.323 2.129 10 0 AEAEHN CCCC(=O)CN1CCC[C@H](C)CC1 82489654 572038264 /nfs/dbraw/zinc/03/82/64/572038264.db2.gz OMZOOOIFMFYYGN-NSHDSACASA-N 0 3 197.322 2.478 10 0 AEAEHN CCCCC[C@@H](N)c1cc(C)n(C)n1 300902110 572038173 /nfs/dbraw/zinc/03/81/73/572038173.db2.gz NTYGNMTWSRIHOA-SNVBAGLBSA-N 0 3 195.310 2.309 10 0 AEAEHN CC(C)CCC[C@H](C)NC1COC1 82488310 572038884 /nfs/dbraw/zinc/03/88/84/572038884.db2.gz SEELPWVBPQGICH-JTQLQIEISA-N 0 3 185.311 2.190 10 0 AEAEHN CC(C)(C)CCCn1nccc1CN 300907220 572039013 /nfs/dbraw/zinc/03/90/13/572039013.db2.gz RMQKEWITLMKTFO-UHFFFAOYSA-N 0 3 195.310 2.168 10 0 AEAEHN CC(C)(C)CCC[C@H]([NH3+])c1cnn[n-]1 300907209 572039028 /nfs/dbraw/zinc/03/90/28/572039028.db2.gz RMNVYNBHKAOBIW-QMMMGPOBSA-N 0 3 196.298 2.021 10 0 AEAEHN CCCCCC[C@H](C)NC1COC1 82488333 572039042 /nfs/dbraw/zinc/03/90/42/572039042.db2.gz JZNRYFQJKFRKRJ-JTQLQIEISA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC1CCC(NC2COC2)CC1 82488405 572039122 /nfs/dbraw/zinc/03/91/22/572039122.db2.gz CROOVQOOSAXBRX-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(C)C(=N)c1ccccc1O 33847381 572039769 /nfs/dbraw/zinc/03/97/69/572039769.db2.gz BYSWGFOKHRMTOA-UHFFFAOYSA-N 0 3 163.220 2.416 10 0 AEAEHN CCCC(=O)CN1CCC[C@@H](C)CC1 82489656 572040075 /nfs/dbraw/zinc/04/00/75/572040075.db2.gz OMZOOOIFMFYYGN-LLVKDONJSA-N 0 3 197.322 2.478 10 0 AEAEHN CCC1CCC(CNC2COC2)CC1 82488136 572040283 /nfs/dbraw/zinc/04/02/83/572040283.db2.gz SIHSNEAMZVRWKO-UHFFFAOYSA-N 0 3 197.322 2.191 10 0 AEAEHN CC(=N)c1cccc(C)c1O 33847145 572040565 /nfs/dbraw/zinc/04/05/65/572040565.db2.gz DFSQSRNBGSLLIG-UHFFFAOYSA-N 0 3 149.193 2.088 10 0 AEAEHN CC(C)(C)CCC[C@@H]([NH3+])c1cnn[n-]1 300907200 572040586 /nfs/dbraw/zinc/04/05/86/572040586.db2.gz RMNVYNBHKAOBIW-MRVPVSSYSA-N 0 3 196.298 2.021 10 0 AEAEHN CCCCCC[C@@H](C)NC1COC1 82488331 572040770 /nfs/dbraw/zinc/04/07/70/572040770.db2.gz JZNRYFQJKFRKRJ-SNVBAGLBSA-N 0 3 185.311 2.334 10 0 AEAEHN CC(C)(C)CC(C)(C)NC1COC1 82488467 572041047 /nfs/dbraw/zinc/04/10/47/572041047.db2.gz LWJWIFVLGYETHL-UHFFFAOYSA-N 0 3 185.311 2.190 10 0 AEAEHN CSCCCCNc1nc(C)c[nH]1 235041985 572041262 /nfs/dbraw/zinc/04/12/62/572041262.db2.gz FDYXBJDBPTXRRH-UHFFFAOYSA-N 0 3 199.323 2.273 10 0 AEAEHN CSC[C@H](C)CNc1nc(C)c[nH]1 235052850 572041783 /nfs/dbraw/zinc/04/17/83/572041783.db2.gz LPNRXVKEMIKCND-SSDOTTSWSA-N 0 3 199.323 2.129 10 0 AEAEHN CSC(C)(C)CNc1nc(C)c[nH]1 235039771 572041809 /nfs/dbraw/zinc/04/18/09/572041809.db2.gz JTPIYWXITSRXLK-UHFFFAOYSA-N 0 3 199.323 2.272 10 0 AEAEHN CS[C@@H](C)CCNc1nc(C)c[nH]1 235062264 572042463 /nfs/dbraw/zinc/04/24/63/572042463.db2.gz WFYHFVPSCYZNKZ-QMMMGPOBSA-N 0 3 199.323 2.272 10 0 AEAEHN Cc1cc([C@H](N)CCC(C)C)nn1C 300908768 572042634 /nfs/dbraw/zinc/04/26/34/572042634.db2.gz OOHQOSCCLIYCQO-SNVBAGLBSA-N 0 3 195.310 2.165 10 0 AEAEHN Cc1cc([C@@H](N)CCC(C)C)nn1C 300908766 572042766 /nfs/dbraw/zinc/04/27/66/572042766.db2.gz OOHQOSCCLIYCQO-JTQLQIEISA-N 0 3 195.310 2.165 10 0 AEAEHN CCC(=O)CN(C)CC1CCCC1 82492556 572043181 /nfs/dbraw/zinc/04/31/81/572043181.db2.gz MSEDLPBTUFAGNB-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CC(=O)[C@@H](C)N(C)CC1CCCC1 82492575 572043329 /nfs/dbraw/zinc/04/33/29/572043329.db2.gz YKBUJQGBMUVUPZ-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N(C)CC1CCCC1 82492573 572043341 /nfs/dbraw/zinc/04/33/41/572043341.db2.gz YKBUJQGBMUVUPZ-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1cc(C[NH+](C)C)cc(Cl)c1[O-] 33885184 572043388 /nfs/dbraw/zinc/04/33/88/572043388.db2.gz GRRSSGXAKVJEDK-UHFFFAOYSA-N 0 3 199.681 2.416 10 0 AEAEHN C[C@@H]1S[C@@H](C)SC(=N)N1C 334139307 572043970 /nfs/dbraw/zinc/04/39/70/572043970.db2.gz MVOXXNMSCLRLAI-CRCLSJGQSA-N 0 3 176.310 2.025 10 0 AEAEHN C[C@@H]1SC(=N)N(C)[C@H](C)S1 334139310 572044334 /nfs/dbraw/zinc/04/43/34/572044334.db2.gz MVOXXNMSCLRLAI-WHFBIAKZSA-N 0 3 176.310 2.025 10 0 AEAEHN Cc1cccc(C(=O)CNC(C)C)c1 82530430 572044550 /nfs/dbraw/zinc/04/45/50/572044550.db2.gz VOTRDLXDCDHSFW-UHFFFAOYSA-N 0 3 191.274 2.176 10 0 AEAEHN COc1cccnc1[C@H](N)CC(C)C 235055633 572044560 /nfs/dbraw/zinc/04/45/60/572044560.db2.gz DJYYFFQGWWZLPL-SECBINFHSA-N 0 3 194.278 2.136 10 0 AEAEHN CC[C@H](C)Oc1ccc(F)cc1CN 82516634 572045237 /nfs/dbraw/zinc/04/52/37/572045237.db2.gz KMQAYFRWPKXYMA-QMMMGPOBSA-N 0 3 197.253 2.462 10 0 AEAEHN CCOCC[C@H](NC)c1ccoc1C 687703405 572045637 /nfs/dbraw/zinc/04/56/37/572045637.db2.gz JKIOALKBMQFSKG-NSHDSACASA-N 0 3 197.278 2.275 10 0 AEAEHN CS[C@H](C)CCNc1nc(C)c[nH]1 235064020 572046182 /nfs/dbraw/zinc/04/61/82/572046182.db2.gz WFYHFVPSCYZNKZ-MRVPVSSYSA-N 0 3 199.323 2.272 10 0 AEAEHN C/C=C/CC[C@]1(C)NCCS1 33984072 572046434 /nfs/dbraw/zinc/04/64/34/572046434.db2.gz NUWRRQVAYLJYHI-CDAZIORVSA-N 0 3 171.309 2.395 10 0 AEAEHN C[C@H]1C[C@H](C)CN([C@@H]2CCCC2=O)C1 37331861 572046507 /nfs/dbraw/zinc/04/65/07/572046507.db2.gz SSSFZOGTFNNYGX-GARJFASQSA-N 0 3 195.306 2.086 10 0 AEAEHN CSCC[C@H](C)Nc1nc(C)c[nH]1 235067124 572046547 /nfs/dbraw/zinc/04/65/47/572046547.db2.gz PGNJEQLLXPFDMI-ZETCQYMHSA-N 0 3 199.323 2.272 10 0 AEAEHN CCOc1ccc(OC)c([C@H](C)N)c1 71455371 572046710 /nfs/dbraw/zinc/04/67/10/572046710.db2.gz OAKJITPOHXQZMO-QMMMGPOBSA-N 0 3 195.262 2.114 10 0 AEAEHN CCOc1ccc(OC)c([C@@H](C)N)c1 71455370 572046977 /nfs/dbraw/zinc/04/69/77/572046977.db2.gz OAKJITPOHXQZMO-MRVPVSSYSA-N 0 3 195.262 2.114 10 0 AEAEHN CCOCC[C@@H](NC)c1ccoc1C 687703404 572047124 /nfs/dbraw/zinc/04/71/24/572047124.db2.gz JKIOALKBMQFSKG-LLVKDONJSA-N 0 3 197.278 2.275 10 0 AEAEHN Cc1c[nH]c(NC2(C)CCC2)n1 235846698 572047206 /nfs/dbraw/zinc/04/72/06/572047206.db2.gz MKJWQNKVKQINQA-UHFFFAOYSA-N 0 3 165.240 2.073 10 0 AEAEHN CCC[C@H](NCC)c1cc(C)n(C)n1 300917147 572047307 /nfs/dbraw/zinc/04/73/07/572047307.db2.gz PHUIESDHWGWSLJ-JTQLQIEISA-N 0 3 195.310 2.179 10 0 AEAEHN CCC[C@@H](NCC)c1cc(C)n(C)n1 300917148 572048378 /nfs/dbraw/zinc/04/83/78/572048378.db2.gz PHUIESDHWGWSLJ-SNVBAGLBSA-N 0 3 195.310 2.179 10 0 AEAEHN Cc1c[nH]c(NC2(C)CCCC2)n1 235846738 572048385 /nfs/dbraw/zinc/04/83/85/572048385.db2.gz MPHLSVNODXVQRM-UHFFFAOYSA-N 0 3 179.267 2.463 10 0 AEAEHN CCC(CC)[C@@H](N)c1cc(C)n(C)n1 300918344 572050010 /nfs/dbraw/zinc/05/00/10/572050010.db2.gz PKNFETBFCOYICL-LLVKDONJSA-N 0 3 195.310 2.165 10 0 AEAEHN NC1=N[C@H](CC2CCCCC2)CS1 34027540 572049250 /nfs/dbraw/zinc/04/92/50/572049250.db2.gz QJJJGZSEGGJAFS-SECBINFHSA-N 0 3 198.335 2.387 10 0 AEAEHN Cc1occc1[C@H](N)C[C@H]1CCCO1 687704683 572049867 /nfs/dbraw/zinc/04/98/67/572049867.db2.gz KYJAEKPILFGHSI-MWLCHTKSSA-N 0 3 195.262 2.157 10 0 AEAEHN CC[C@@H](C)CN(C)[C@@H]1CCCCC1=O 37337009 572050153 /nfs/dbraw/zinc/05/01/53/572050153.db2.gz RYSFYLXQWJPCIB-GHMZBOCLSA-N 0 3 197.322 2.476 10 0 AEAEHN NC1=N[C@@H](CC2CCCCC2)CS1 34027541 572050164 /nfs/dbraw/zinc/05/01/64/572050164.db2.gz QJJJGZSEGGJAFS-VIFPVBQESA-N 0 3 198.335 2.387 10 0 AEAEHN Cc1occc1[C@@H](N)C[C@@H]1CCCO1 687704684 572050545 /nfs/dbraw/zinc/05/05/45/572050545.db2.gz KYJAEKPILFGHSI-ONGXEEELSA-N 0 3 195.262 2.157 10 0 AEAEHN Cc1occc1[C@H](N)C[C@@H]1CCCO1 687704677 572050596 /nfs/dbraw/zinc/05/05/96/572050596.db2.gz KYJAEKPILFGHSI-GXSJLCMTSA-N 0 3 195.262 2.157 10 0 AEAEHN CCC(CC)[C@H](N)c1cc(C)n(C)n1 300918346 572050914 /nfs/dbraw/zinc/05/09/14/572050914.db2.gz PKNFETBFCOYICL-NSHDSACASA-N 0 3 195.310 2.165 10 0 AEAEHN CCNCc1ccnc([C@H](C)CC)n1 82562852 572051641 /nfs/dbraw/zinc/05/16/41/572051641.db2.gz GFYXHSODRQATMF-SECBINFHSA-N 0 3 193.294 2.100 10 0 AEAEHN Cc1occc1[C@@H](N)C[C@H]1CCCO1 687704680 572051655 /nfs/dbraw/zinc/05/16/55/572051655.db2.gz KYJAEKPILFGHSI-KOLCDFICSA-N 0 3 195.262 2.157 10 0 AEAEHN CCC(C)(C)Cn1c(CN)cnc1C 713207157 572051905 /nfs/dbraw/zinc/05/19/05/572051905.db2.gz AKBWZXIXOMIOJI-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN Cc1cccc(CN(C)C)c1C 34085369 572051921 /nfs/dbraw/zinc/05/19/21/572051921.db2.gz PVPGLHUAZMVFQT-UHFFFAOYSA-N 0 3 163.264 2.365 10 0 AEAEHN CCNCc1ccnc([C@@H](C)CC)n1 82562853 572052056 /nfs/dbraw/zinc/05/20/56/572052056.db2.gz GFYXHSODRQATMF-VIFPVBQESA-N 0 3 193.294 2.100 10 0 AEAEHN Cc1occc1[C@H](N)CCOC(C)C 687705534 572052129 /nfs/dbraw/zinc/05/21/29/572052129.db2.gz PHKFGZFNLYIPIN-LLVKDONJSA-N 0 3 197.278 2.403 10 0 AEAEHN CC[C@H](C)c1nc(CNC(C)C)c[nH]1 82562999 572052175 /nfs/dbraw/zinc/05/21/75/572052175.db2.gz WVMLOMACVCQANH-VIFPVBQESA-N 0 3 195.310 2.421 10 0 AEAEHN CCNCc1c[nH]c([C@H](C)CC)n1 82562994 572052456 /nfs/dbraw/zinc/05/24/56/572052456.db2.gz RKASJCZCTDYVIL-MRVPVSSYSA-N 0 3 181.283 2.033 10 0 AEAEHN CCNCc1cnc([C@H](C)CC)[nH]1 82562994 572052461 /nfs/dbraw/zinc/05/24/61/572052461.db2.gz RKASJCZCTDYVIL-MRVPVSSYSA-N 0 3 181.283 2.033 10 0 AEAEHN CCOCC[C@@H](N)c1occc1C 687704746 572052487 /nfs/dbraw/zinc/05/24/87/572052487.db2.gz RXYRHNWHWTZAPK-SECBINFHSA-N 0 3 183.251 2.014 10 0 AEAEHN CC[C@H](C)c1nc(C)cc(CNC)n1 82562869 572052684 /nfs/dbraw/zinc/05/26/84/572052684.db2.gz NEYKZFPDTYMTQR-QMMMGPOBSA-N 0 3 193.294 2.018 10 0 AEAEHN CSc1ncccc1CNC(C)C 235076450 572052782 /nfs/dbraw/zinc/05/27/82/572052782.db2.gz VERSIPRXWQUMNF-UHFFFAOYSA-N 0 3 196.319 2.302 10 0 AEAEHN CC[C@H](C)c1nc(CNC2CC2)c[nH]1 82563001 572052797 /nfs/dbraw/zinc/05/27/97/572052797.db2.gz PUOIVNGTVTVRLI-QMMMGPOBSA-N 0 3 193.294 2.175 10 0 AEAEHN CC[C@H](C)c1ncc(CNC2CC2)[nH]1 82563001 572052800 /nfs/dbraw/zinc/05/28/00/572052800.db2.gz PUOIVNGTVTVRLI-QMMMGPOBSA-N 0 3 193.294 2.175 10 0 AEAEHN CCOCC[C@H](N)c1occc1C 687704747 572052990 /nfs/dbraw/zinc/05/29/90/572052990.db2.gz RXYRHNWHWTZAPK-VIFPVBQESA-N 0 3 183.251 2.014 10 0 AEAEHN CC1(C)CO[C@](C)(c2ccccc2)N1 34085606 572053400 /nfs/dbraw/zinc/05/34/00/572053400.db2.gz VCPQEEVJPHQWIJ-GFCCVEGCSA-N 0 3 191.274 2.258 10 0 AEAEHN Cc1occc1[C@@H](N)CCOC(C)C 687705535 572053490 /nfs/dbraw/zinc/05/34/90/572053490.db2.gz PHKFGZFNLYIPIN-NSHDSACASA-N 0 3 197.278 2.403 10 0 AEAEHN CSc1ncccc1CNC1CC1 235076496 572053499 /nfs/dbraw/zinc/05/34/99/572053499.db2.gz DYYRMNOBPLMRDQ-UHFFFAOYSA-N 0 3 194.303 2.056 10 0 AEAEHN CCCNCc1c[nH]c([C@H](C)CC)n1 82562997 572053514 /nfs/dbraw/zinc/05/35/14/572053514.db2.gz FGRXXNCLMNTYME-SECBINFHSA-N 0 3 195.310 2.423 10 0 AEAEHN CCNCc1cnc([C@@H](C)CC)nc1 82562883 572053550 /nfs/dbraw/zinc/05/35/50/572053550.db2.gz XUDNOZSAEOSPSV-VIFPVBQESA-N 0 3 193.294 2.100 10 0 AEAEHN CC[C@@H](C)c1nc(C)cc(CNC)n1 82562868 572053643 /nfs/dbraw/zinc/05/36/43/572053643.db2.gz NEYKZFPDTYMTQR-MRVPVSSYSA-N 0 3 193.294 2.018 10 0 AEAEHN CCCNCc1c[nH]c([C@@H](C)CC)n1 82562996 572054202 /nfs/dbraw/zinc/05/42/02/572054202.db2.gz FGRXXNCLMNTYME-VIFPVBQESA-N 0 3 195.310 2.423 10 0 AEAEHN CC1(C)CO[C@@](C)(c2ccccc2)N1 34085604 572053719 /nfs/dbraw/zinc/05/37/19/572053719.db2.gz VCPQEEVJPHQWIJ-LBPRGKRZSA-N 0 3 191.274 2.258 10 0 AEAEHN CCNCc1c[nH]c([C@@H](C)CC)n1 82562995 572053920 /nfs/dbraw/zinc/05/39/20/572053920.db2.gz RKASJCZCTDYVIL-QMMMGPOBSA-N 0 3 181.283 2.033 10 0 AEAEHN CCNCc1cnc([C@@H](C)CC)[nH]1 82562995 572053921 /nfs/dbraw/zinc/05/39/21/572053921.db2.gz RKASJCZCTDYVIL-QMMMGPOBSA-N 0 3 181.283 2.033 10 0 AEAEHN CCNCc1cnc([C@H](C)CC)nc1 82562882 572053947 /nfs/dbraw/zinc/05/39/47/572053947.db2.gz XUDNOZSAEOSPSV-SECBINFHSA-N 0 3 193.294 2.100 10 0 AEAEHN CC[C@@H](C)c1nc(CNC2CC2)c[nH]1 82563000 572054145 /nfs/dbraw/zinc/05/41/45/572054145.db2.gz PUOIVNGTVTVRLI-MRVPVSSYSA-N 0 3 193.294 2.175 10 0 AEAEHN CC[C@@H](C)c1ncc(CNC2CC2)[nH]1 82563000 572054147 /nfs/dbraw/zinc/05/41/47/572054147.db2.gz PUOIVNGTVTVRLI-MRVPVSSYSA-N 0 3 193.294 2.175 10 0 AEAEHN CC[C@@H](C)c1nc(CNC(C)C)c[nH]1 82562998 572054285 /nfs/dbraw/zinc/05/42/85/572054285.db2.gz WVMLOMACVCQANH-SECBINFHSA-N 0 3 195.310 2.421 10 0 AEAEHN CCCCOc1cccc(F)c1CN 36307079 572054585 /nfs/dbraw/zinc/05/45/85/572054585.db2.gz YVPQPSBSZKSTSY-UHFFFAOYSA-N 0 3 197.253 2.463 10 0 AEAEHN CC[C@H](C)Oc1cccc(F)c1CN 36307043 572054653 /nfs/dbraw/zinc/05/46/53/572054653.db2.gz LVNQNXBQFCOQTL-QMMMGPOBSA-N 0 3 197.253 2.462 10 0 AEAEHN CCCCSc1ncccc1CN 36333545 572055523 /nfs/dbraw/zinc/05/55/23/572055523.db2.gz OHHVVXNOAPGADO-UHFFFAOYSA-N 0 3 196.319 2.433 10 0 AEAEHN Cc1c[nH]c(NC[C@H]2CCCS2)n1 235850467 572055789 /nfs/dbraw/zinc/05/57/89/572055789.db2.gz XOPZKJKCUJQCJT-MRVPVSSYSA-N 0 3 197.307 2.026 10 0 AEAEHN CC(C)COc1cccc(F)c1CN 36307086 572056019 /nfs/dbraw/zinc/05/60/19/572056019.db2.gz DZRAMMQQWZWKKJ-UHFFFAOYSA-N 0 3 197.253 2.319 10 0 AEAEHN CS[C@@H]1CCCC[C@@H]1NCCF 235089066 572056071 /nfs/dbraw/zinc/05/60/71/572056071.db2.gz CQGSAEHBEMLZJS-DTWKUNHWSA-N 0 3 191.315 2.220 10 0 AEAEHN CN[C@@H](c1ccoc1C)[C@H](C)COC 687706260 572056085 /nfs/dbraw/zinc/05/60/85/572056085.db2.gz LQUWYURYUDKEMK-LDYMZIIASA-N 0 3 197.278 2.131 10 0 AEAEHN COCc1ccc([C@H](N)[C@@H]2C[C@@H]2C)o1 229177830 572056539 /nfs/dbraw/zinc/05/65/39/572056539.db2.gz HIEPEBXZBZLNSC-JVUFJMBOSA-N 0 3 195.262 2.082 10 0 AEAEHN CN[C@H](c1ccoc1C)[C@H](C)COC 687706258 572056778 /nfs/dbraw/zinc/05/67/78/572056778.db2.gz LQUWYURYUDKEMK-KCJUWKMLSA-N 0 3 197.278 2.131 10 0 AEAEHN Cc1cc(C)cc(-n2ccnc2N)c1 235844926 572056808 /nfs/dbraw/zinc/05/68/08/572056808.db2.gz DKABZGXXOHYRHE-UHFFFAOYSA-N 0 3 187.246 2.071 10 0 AEAEHN CCCCSc1ccc(CN)cn1 36333541 572056895 /nfs/dbraw/zinc/05/68/95/572056895.db2.gz XZTKCQVRSQNQBP-UHFFFAOYSA-N 0 3 196.319 2.433 10 0 AEAEHN CN[C@@H](c1ccoc1C)[C@@H](C)COC 687706257 572056987 /nfs/dbraw/zinc/05/69/87/572056987.db2.gz LQUWYURYUDKEMK-GZMMTYOYSA-N 0 3 197.278 2.131 10 0 AEAEHN CN[C@H](CC(C)C)c1cc(C)n(C)n1 300921585 572057106 /nfs/dbraw/zinc/05/71/06/572057106.db2.gz PUSJJWKERRAJEJ-SNVBAGLBSA-N 0 3 195.310 2.035 10 0 AEAEHN CN[C@@H](CC(C)C)c1cc(C)n(C)n1 300921584 572057323 /nfs/dbraw/zinc/05/73/23/572057323.db2.gz PUSJJWKERRAJEJ-JTQLQIEISA-N 0 3 195.310 2.035 10 0 AEAEHN CCNCc1cnn(CC(C)(C)C)c1 713208121 572057729 /nfs/dbraw/zinc/05/77/29/572057729.db2.gz RMELZALDVJCIBC-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN Cc1c[nH]c(NC2CCSCC2)n1 235847319 572058136 /nfs/dbraw/zinc/05/81/36/572058136.db2.gz OLYQWQZXSADDJL-UHFFFAOYSA-N 0 3 197.307 2.026 10 0 AEAEHN Cc1c[nH]c(NCCC2CCC2)n1 235847756 572058882 /nfs/dbraw/zinc/05/88/82/572058882.db2.gz CYBLCSOCEXSCJS-UHFFFAOYSA-N 0 3 179.267 2.320 10 0 AEAEHN CCOc1ccc(CC)cc1CN 71463981 572058897 /nfs/dbraw/zinc/05/88/97/572058897.db2.gz NIZJGMPXXVNWQO-UHFFFAOYSA-N 0 3 179.263 2.106 10 0 AEAEHN COc1cccc(CN(C)C)c1C 34153943 572059420 /nfs/dbraw/zinc/05/94/20/572059420.db2.gz KJLAGZSLADKBFC-UHFFFAOYSA-N 0 3 179.263 2.065 10 0 AEAEHN Cc1c[nH]c(NCC2CCCC2)n1 235847555 572059574 /nfs/dbraw/zinc/05/95/74/572059574.db2.gz ZQPOQIHISXMLPU-UHFFFAOYSA-N 0 3 179.267 2.320 10 0 AEAEHN Cc1c[nH]c(NC[C@@H]2CCCS2)n1 235850043 572063179 /nfs/dbraw/zinc/06/31/79/572063179.db2.gz XOPZKJKCUJQCJT-QMMMGPOBSA-N 0 3 197.307 2.026 10 0 AEAEHN CCCCN1CCCC[C@@H]1C(C)=O 82651664 572069944 /nfs/dbraw/zinc/06/99/44/572069944.db2.gz ZRGKVIXHSKWITA-LLVKDONJSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCCn1nc(C)c(CNC)c1C 36868458 572070395 /nfs/dbraw/zinc/07/03/95/572070395.db2.gz YQWZBCQDOFZWKS-UHFFFAOYSA-N 0 3 195.310 2.019 10 0 AEAEHN C[C@H]1C[C@H]1CN(C)CC(=O)C(C)(C)C 82649162 572070498 /nfs/dbraw/zinc/07/04/98/572070498.db2.gz ZDESQBQBSJZBIC-UWVGGRQHSA-N 0 3 197.322 2.189 10 0 AEAEHN CCCCCn1nc(C)c(CN)c1C 36868281 572070678 /nfs/dbraw/zinc/07/06/78/572070678.db2.gz PHXUVHYYXLVHEX-UHFFFAOYSA-N 0 3 195.310 2.149 10 0 AEAEHN CCCCN1CCCC[C@H]1C(C)=O 82651665 572070750 /nfs/dbraw/zinc/07/07/50/572070750.db2.gz ZRGKVIXHSKWITA-NSHDSACASA-N 0 3 183.295 2.230 10 0 AEAEHN C[C@H]1C[C@@H]1CN(C)[C@@H]1CCCCC1=O 82649126 572071278 /nfs/dbraw/zinc/07/12/78/572071278.db2.gz JFDJXEFGYOCALV-HBNTYKKESA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1C[C@@H]1CN(C)CC(=O)C(C)(C)C 82649160 572071440 /nfs/dbraw/zinc/07/14/40/572071440.db2.gz ZDESQBQBSJZBIC-VHSXEESVSA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@@H]1C[C@H]1CN(C)CC(=O)C(C)(C)C 82649161 572071450 /nfs/dbraw/zinc/07/14/50/572071450.db2.gz ZDESQBQBSJZBIC-ZJUUUORDSA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@@H]1C[C@@H]1CN(C)CC(=O)C(C)(C)C 82649159 572072192 /nfs/dbraw/zinc/07/21/92/572072192.db2.gz ZDESQBQBSJZBIC-NXEZZACHSA-N 0 3 197.322 2.189 10 0 AEAEHN CC[C@@H](C)[C@@H](C)Nc1nc(C)[nH]c1N 42873051 572072798 /nfs/dbraw/zinc/07/27/98/572072798.db2.gz AVDNXPQADCDQSG-RNFRBKRXSA-N 0 3 196.298 2.147 10 0 AEAEHN CC[C@@H](C)[C@@H](C)Nc1[nH]c(C)nc1N 42873051 572072801 /nfs/dbraw/zinc/07/28/01/572072801.db2.gz AVDNXPQADCDQSG-RNFRBKRXSA-N 0 3 196.298 2.147 10 0 AEAEHN Cc1c[nH]c(NCc2cccs2)n1 235852477 572074287 /nfs/dbraw/zinc/07/42/87/572074287.db2.gz MXFIXANFGSXZIX-UHFFFAOYSA-N 0 3 193.275 2.392 10 0 AEAEHN Cc1c[nH]c(NCc2ccccc2)n1 235852120 572074498 /nfs/dbraw/zinc/07/44/98/572074498.db2.gz SOFQOILWJOKFPS-UHFFFAOYSA-N 0 3 187.246 2.330 10 0 AEAEHN Cc1c[nH]c(NCc2ccsc2)n1 235852752 572075446 /nfs/dbraw/zinc/07/54/46/572075446.db2.gz JJOMUDBXNDMYFT-UHFFFAOYSA-N 0 3 193.275 2.392 10 0 AEAEHN CCC(CC)[C@H](C)N1CCC(=O)CC1 82632951 572075980 /nfs/dbraw/zinc/07/59/80/572075980.db2.gz KVZIXDOEVBSNQM-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(CC)[C@H](C)NCc1ncc[nH]1 82630941 572076859 /nfs/dbraw/zinc/07/68/59/572076859.db2.gz SBQCTXJTGYIFQY-VIFPVBQESA-N 0 3 195.310 2.324 10 0 AEAEHN CCC(CC)[C@@H](C)NCc1ncc[nH]1 82630940 572076877 /nfs/dbraw/zinc/07/68/77/572076877.db2.gz SBQCTXJTGYIFQY-SECBINFHSA-N 0 3 195.310 2.324 10 0 AEAEHN CCC(CC)[C@@H](C)N1CCC(=O)CC1 82632950 572077063 /nfs/dbraw/zinc/07/70/63/572077063.db2.gz KVZIXDOEVBSNQM-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCOC[C@@H](N)c1ccc(C)cc1 37025183 572078071 /nfs/dbraw/zinc/07/80/71/572078071.db2.gz XZAGCLLTEQUGMY-GFCCVEGCSA-N 0 3 193.290 2.421 10 0 AEAEHN CCC(CC)[C@H](C)NCc1cc[nH]n1 82631582 572077211 /nfs/dbraw/zinc/07/72/11/572077211.db2.gz OANSBSQBHCRXKT-VIFPVBQESA-N 0 3 195.310 2.324 10 0 AEAEHN CCCOC[C@@H](N)c1ccc(F)cc1 37024895 572077358 /nfs/dbraw/zinc/07/73/58/572077358.db2.gz HWSRTIQJYKPTLE-LLVKDONJSA-N 0 3 197.253 2.252 10 0 AEAEHN CCC(CC)[C@@H](C)NCc1cc[nH]n1 82631579 572077508 /nfs/dbraw/zinc/07/75/08/572077508.db2.gz OANSBSQBHCRXKT-SECBINFHSA-N 0 3 195.310 2.324 10 0 AEAEHN CCCOC[C@H](N)c1cccc(F)c1 37025017 572077860 /nfs/dbraw/zinc/07/78/60/572077860.db2.gz KKKFZUXPXDRTLS-NSHDSACASA-N 0 3 197.253 2.252 10 0 AEAEHN CCCOC[C@@H](N)c1cccc(F)c1 37025019 572078021 /nfs/dbraw/zinc/07/80/21/572078021.db2.gz KKKFZUXPXDRTLS-LLVKDONJSA-N 0 3 197.253 2.252 10 0 AEAEHN CCCOC[C@H](N)c1ccc(F)cc1 37024893 572078027 /nfs/dbraw/zinc/07/80/27/572078027.db2.gz HWSRTIQJYKPTLE-NSHDSACASA-N 0 3 197.253 2.252 10 0 AEAEHN CC(=O)[C@H]1CCCCN1CCC(C)C 82645097 572078304 /nfs/dbraw/zinc/07/83/04/572078304.db2.gz DRFKZDROHFYPQM-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCOC[C@H](N)c1ccccc1 37025101 572078795 /nfs/dbraw/zinc/07/87/95/572078795.db2.gz OKLGFUZYYADXKM-NSHDSACASA-N 0 3 179.263 2.113 10 0 AEAEHN CCN[C@H](CC)c1cc(C)ccn1 82643785 572079006 /nfs/dbraw/zinc/07/90/06/572079006.db2.gz LEXWTJUFRDYBKT-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CCCOC[C@@H](N)c1ccccc1 37025103 572079056 /nfs/dbraw/zinc/07/90/56/572079056.db2.gz OKLGFUZYYADXKM-LLVKDONJSA-N 0 3 179.263 2.113 10 0 AEAEHN Cc1c[nH]c(Nc2cccnc2C)n1 235858006 572079200 /nfs/dbraw/zinc/07/92/00/572079200.db2.gz CMTYADRTHDEHJQ-UHFFFAOYSA-N 0 3 188.234 2.165 10 0 AEAEHN CCCOC[C@H](N)c1ccc(C)cc1 37025181 572079417 /nfs/dbraw/zinc/07/94/17/572079417.db2.gz XZAGCLLTEQUGMY-LBPRGKRZSA-N 0 3 193.290 2.421 10 0 AEAEHN CC(C)[C@]1(C)CC(=O)CC(C)(C)N1 34412776 572079441 /nfs/dbraw/zinc/07/94/41/572079441.db2.gz ZBXMSPIJFSLZIP-NSHDSACASA-N 0 3 183.295 2.132 10 0 AEAEHN CC(C)[C@@]1(C)CC(=O)CC(C)(C)N1 34412777 572079561 /nfs/dbraw/zinc/07/95/61/572079561.db2.gz ZBXMSPIJFSLZIP-LLVKDONJSA-N 0 3 183.295 2.132 10 0 AEAEHN CCCOC[C@@H](N)c1ccccc1F 37025051 572079712 /nfs/dbraw/zinc/07/97/12/572079712.db2.gz DPRQEVWFXTXASI-LLVKDONJSA-N 0 3 197.253 2.252 10 0 AEAEHN CCCOC[C@H](N)c1ccccc1C 37024881 572079847 /nfs/dbraw/zinc/07/98/47/572079847.db2.gz LLPUMUQMFYRECE-LBPRGKRZSA-N 0 3 193.290 2.421 10 0 AEAEHN CSC1(CNCCF)CCCC1 235110060 572079905 /nfs/dbraw/zinc/07/99/05/572079905.db2.gz POLBPFRLFGAFSW-UHFFFAOYSA-N 0 3 191.315 2.221 10 0 AEAEHN CCCOC[C@@H](N)c1ccccc1C 37024883 572079946 /nfs/dbraw/zinc/07/99/46/572079946.db2.gz LLPUMUQMFYRECE-GFCCVEGCSA-N 0 3 193.290 2.421 10 0 AEAEHN Cc1ccc(C)c(-n2ccnc2N)c1 235857734 572079959 /nfs/dbraw/zinc/07/99/59/572079959.db2.gz HIMYTNBNBOCHMV-UHFFFAOYSA-N 0 3 187.246 2.071 10 0 AEAEHN CCCN[C@H](C)c1cc(C)ccn1 82643827 572080080 /nfs/dbraw/zinc/08/00/80/572080080.db2.gz VBWAXZYZVPWGCJ-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN Cc1c[nH]c(Nc2cnccc2C)n1 235858225 572080163 /nfs/dbraw/zinc/08/01/63/572080163.db2.gz MZIGPBKNPLTLFB-UHFFFAOYSA-N 0 3 188.234 2.165 10 0 AEAEHN Cc1c[nH]c(Nc2ccccc2)n1 235857612 572080183 /nfs/dbraw/zinc/08/01/83/572080183.db2.gz HJJXBJQKMCQJNN-UHFFFAOYSA-N 0 3 173.219 2.462 10 0 AEAEHN CC[C@H](C)CN1CCCC[C@@H]1C(C)=O 82645140 572080394 /nfs/dbraw/zinc/08/03/94/572080394.db2.gz WHVNUCCCBGASEY-CMPLNLGQSA-N 0 3 197.322 2.476 10 0 AEAEHN CCN(CC)C(=N)c1cc(C)ccn1 82643925 572080327 /nfs/dbraw/zinc/08/03/27/572080327.db2.gz LYVAOEZUBMYOBJ-UHFFFAOYSA-N 0 3 191.278 2.057 10 0 AEAEHN CCN[C@@H](CC)c1cc(C)ccn1 82643784 572080362 /nfs/dbraw/zinc/08/03/62/572080362.db2.gz LEXWTJUFRDYBKT-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CN[C@@H](C)C(=O)CCCC(C)(C)C 300929554 572080633 /nfs/dbraw/zinc/08/06/33/572080633.db2.gz UWSFWNVCVLRANT-VIFPVBQESA-N 0 3 185.311 2.380 10 0 AEAEHN CC(=O)[C@@H]1CCCCN1CCC(C)C 82645098 572080733 /nfs/dbraw/zinc/08/07/33/572080733.db2.gz DRFKZDROHFYPQM-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN[C@@H](C)c1cc(C)ccn1 82643826 572080865 /nfs/dbraw/zinc/08/08/65/572080865.db2.gz VBWAXZYZVPWGCJ-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN Cc1nc2c(N)c(C)c(C)cc2[nH]1 34449262 572081673 /nfs/dbraw/zinc/08/16/73/572081673.db2.gz BIMPBUKTXBUHKK-UHFFFAOYSA-N 0 3 175.235 2.070 10 0 AEAEHN Cc1c[nH]c(N[C@@H]2CCCSC2)n1 235853967 572082039 /nfs/dbraw/zinc/08/20/39/572082039.db2.gz SYIJUJRIXUHNHQ-MRVPVSSYSA-N 0 3 197.307 2.026 10 0 AEAEHN CC(C)SCc1ccnc(CN)c1 82669273 572082111 /nfs/dbraw/zinc/08/21/11/572082111.db2.gz ULIRZGVUMJRPCJ-UHFFFAOYSA-N 0 3 196.319 2.182 10 0 AEAEHN CNCc1cnc(CC(C)(C)C)s1 82674739 572082239 /nfs/dbraw/zinc/08/22/39/572082239.db2.gz PJDXWCJHIHZOQH-UHFFFAOYSA-N 0 3 198.335 2.451 10 0 AEAEHN Cc1c[nH]c(N[C@H]2CCCSC2)n1 235854456 572082484 /nfs/dbraw/zinc/08/24/84/572082484.db2.gz SYIJUJRIXUHNHQ-QMMMGPOBSA-N 0 3 197.307 2.026 10 0 AEAEHN CN[C@H](CC(C)(C)C)c1cncnc1 82674305 572082679 /nfs/dbraw/zinc/08/26/79/572082679.db2.gz BYQHSHUHWUAARE-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN CN[C@@H](CC(C)(C)C)c1cncnc1 82674302 572082683 /nfs/dbraw/zinc/08/26/83/572082683.db2.gz BYQHSHUHWUAARE-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN CCCSCc1ccnc(CN)c1 82668491 572082745 /nfs/dbraw/zinc/08/27/45/572082745.db2.gz KCDFHYAOUPLRAO-UHFFFAOYSA-N 0 3 196.319 2.184 10 0 AEAEHN CCNCc1c[nH]c(CC(C)(C)C)n1 82675145 572082869 /nfs/dbraw/zinc/08/28/69/572082869.db2.gz SYQXFYCDWMGCPU-UHFFFAOYSA-N 0 3 195.310 2.108 10 0 AEAEHN CCNCc1cnc(CC(C)(C)C)[nH]1 82675145 572082873 /nfs/dbraw/zinc/08/28/73/572082873.db2.gz SYQXFYCDWMGCPU-UHFFFAOYSA-N 0 3 195.310 2.108 10 0 AEAEHN CCC[C@H]1N[C@@H](c2ccccc2)CO1 34450205 572082883 /nfs/dbraw/zinc/08/28/83/572082883.db2.gz ZYPIAZIWMPQEGZ-NEPJUHHUSA-N 0 3 191.274 2.474 10 0 AEAEHN CCC[C@@H]1N[C@@H](c2ccccc2)CO1 34450202 572082923 /nfs/dbraw/zinc/08/29/23/572082923.db2.gz ZYPIAZIWMPQEGZ-VXGBXAGGSA-N 0 3 191.274 2.474 10 0 AEAEHN C[C@H](N)c1cc(Cl)ccc1N(C)C 34450716 572083278 /nfs/dbraw/zinc/08/32/78/572083278.db2.gz SXYKELSBVDDOKO-ZETCQYMHSA-N 0 3 198.697 2.426 10 0 AEAEHN Cc1c[nH]c(NC[C@H](C)C2CC2)n1 235120591 572084018 /nfs/dbraw/zinc/08/40/18/572084018.db2.gz OKPCSBFXSYSBQA-ZETCQYMHSA-N 0 3 179.267 2.176 10 0 AEAEHN CC(C)n1ccc(CNC(C)(C)C)n1 82720479 572084784 /nfs/dbraw/zinc/08/47/84/572084784.db2.gz QWYMWFOHMUZOGU-UHFFFAOYSA-N 0 3 195.310 2.352 10 0 AEAEHN CCOC[C@@H](N)c1ccc(C)s1 82685295 572085560 /nfs/dbraw/zinc/08/55/60/572085560.db2.gz QCHSNALVUSQEHJ-MRVPVSSYSA-N 0 3 185.292 2.093 10 0 AEAEHN CCN(C(C)C)[C@H](CN)c1ccco1 37081994 572087077 /nfs/dbraw/zinc/08/70/77/572087077.db2.gz RKBZZZNXVLFZSA-SNVBAGLBSA-N 0 3 196.294 2.010 10 0 AEAEHN COc1ccc2c(c1)C(C)(C)NC2 34499856 572088031 /nfs/dbraw/zinc/08/80/31/572088031.db2.gz CRQBWNKBOSCZOO-UHFFFAOYSA-N 0 3 177.247 2.034 10 0 AEAEHN CCCN(C)[C@@H](CN)c1ccsc1 37098029 572091993 /nfs/dbraw/zinc/09/19/93/572091993.db2.gz JHAUKONTDOWDNT-JTQLQIEISA-N 0 3 198.335 2.090 10 0 AEAEHN CCCN(CC)c1ccccc1CN 37094307 572091208 /nfs/dbraw/zinc/09/12/08/572091208.db2.gz PGRVONZPPNJTNI-UHFFFAOYSA-N 0 3 192.306 2.382 10 0 AEAEHN Cc1ccc(F)cc1CN(C)C 34539016 572091393 /nfs/dbraw/zinc/09/13/93/572091393.db2.gz VPKPBXNJAWRPMZ-UHFFFAOYSA-N 0 3 167.227 2.196 10 0 AEAEHN CC(C)CN(C)c1ccccc1CN 37098866 572092160 /nfs/dbraw/zinc/09/21/60/572092160.db2.gz UZJUOFAJNAFHTA-UHFFFAOYSA-N 0 3 192.306 2.238 10 0 AEAEHN c1cncc([C@@H]2NC3CCC2CC3)c1 34547994 572094192 /nfs/dbraw/zinc/09/41/92/572094192.db2.gz MLEDOVGMQKYIRX-QEWOUOOISA-N 0 3 188.274 2.285 10 0 AEAEHN c1cncc([C@H]2NC3CCC2CC3)c1 34547993 572092965 /nfs/dbraw/zinc/09/29/65/572092965.db2.gz MLEDOVGMQKYIRX-NHNAUAITSA-N 0 3 188.274 2.285 10 0 AEAEHN CC[C@@H](C)N(C)c1ccccc1CN 37109146 572093450 /nfs/dbraw/zinc/09/34/50/572093450.db2.gz OSYXHPZZCWSQQB-SNVBAGLBSA-N 0 3 192.306 2.380 10 0 AEAEHN C[C@H](N)[C@@H](F)Sc1ccccc1 34562429 572093485 /nfs/dbraw/zinc/09/34/85/572093485.db2.gz XODCSGUFAHSOEK-CBAPKCEASA-N 0 3 185.267 2.422 10 0 AEAEHN C[C@H](N)[C@H](F)Sc1ccccc1 34562430 572093812 /nfs/dbraw/zinc/09/38/12/572093812.db2.gz XODCSGUFAHSOEK-IONNQARKSA-N 0 3 185.267 2.422 10 0 AEAEHN CC[C@H](C)N(C)c1ccccc1CN 37109147 572095074 /nfs/dbraw/zinc/09/50/74/572095074.db2.gz OSYXHPZZCWSQQB-JTQLQIEISA-N 0 3 192.306 2.380 10 0 AEAEHN CCCC1(CNCc2cnoc2)CC1 687709498 572096447 /nfs/dbraw/zinc/09/64/47/572096447.db2.gz QLPSOGBJCSAHIA-UHFFFAOYSA-N 0 3 194.278 2.345 10 0 AEAEHN CCC(CC)CNCc1cnoc1 687709459 572096483 /nfs/dbraw/zinc/09/64/83/572096483.db2.gz HECQAAQMHCICIE-UHFFFAOYSA-N 0 3 182.267 2.200 10 0 AEAEHN CC[C@H](C)N(C)[C@@H](CN)c1ccco1 37109901 572096540 /nfs/dbraw/zinc/09/65/40/572096540.db2.gz JIVWPXSBICNAAO-UWVGGRQHSA-N 0 3 196.294 2.010 10 0 AEAEHN CC(C)C(C)(C)CC(=O)[C@@H](N)C1CC1 713215193 572096844 /nfs/dbraw/zinc/09/68/44/572096844.db2.gz BQIXONLQKYMSEW-NSHDSACASA-N 0 3 197.322 2.365 10 0 AEAEHN CCCCCOc1cc(CN)ccn1 37113864 572097445 /nfs/dbraw/zinc/09/74/45/572097445.db2.gz JRXSNVFBUUMYFU-UHFFFAOYSA-N 0 3 194.278 2.109 10 0 AEAEHN CC(C)(C)CCNCc1cnoc1 687709461 572097485 /nfs/dbraw/zinc/09/74/85/572097485.db2.gz HSJSXBWXUJZLJF-UHFFFAOYSA-N 0 3 182.267 2.200 10 0 AEAEHN CCCC(C)(C)NCc1cnoc1 687709486 572098013 /nfs/dbraw/zinc/09/80/13/572098013.db2.gz OCDKCOHOLPEJPW-UHFFFAOYSA-N 0 3 182.267 2.343 10 0 AEAEHN CCCCCOc1ccc(CN)cn1 37113863 572098272 /nfs/dbraw/zinc/09/82/72/572098272.db2.gz RSJYTOYJTDDJMG-UHFFFAOYSA-N 0 3 194.278 2.109 10 0 AEAEHN CCCCCOc1ncccc1CN 37113862 572098277 /nfs/dbraw/zinc/09/82/77/572098277.db2.gz ZEODKWIGUXRHFG-UHFFFAOYSA-N 0 3 194.278 2.109 10 0 AEAEHN CCC(C)(CC)NCc1cnoc1 687709495 572099093 /nfs/dbraw/zinc/09/90/93/572099093.db2.gz PWKBGUDOSOTMPV-UHFFFAOYSA-N 0 3 182.267 2.343 10 0 AEAEHN CC(C)[C@@H]1N[C@H](c2ccccc2)CO1 34599585 572100807 /nfs/dbraw/zinc/10/08/07/572100807.db2.gz VSVSVAPEZSLHAQ-NWDGAFQWSA-N 0 3 191.274 2.330 10 0 AEAEHN CC(C)[C@H]1N[C@H](c2ccccc2)CO1 34599586 572101005 /nfs/dbraw/zinc/10/10/05/572101005.db2.gz VSVSVAPEZSLHAQ-RYUDHWBXSA-N 0 3 191.274 2.330 10 0 AEAEHN N[C@H](C(=O)C[C@@H]1CC=CCC1)C1CC1 402261442 572102407 /nfs/dbraw/zinc/10/24/07/572102407.db2.gz GOQUVGWENJRZAV-SKDRFNHKSA-N 0 3 193.290 2.039 10 0 AEAEHN N[C@H](C(=O)C[C@H]1CC=CCC1)C1CC1 402261440 572102690 /nfs/dbraw/zinc/10/26/90/572102690.db2.gz GOQUVGWENJRZAV-CABZTGNLSA-N 0 3 193.290 2.039 10 0 AEAEHN N[C@@H](C(=O)C[C@H]1CC=CCC1)C1CC1 402261441 572102817 /nfs/dbraw/zinc/10/28/17/572102817.db2.gz GOQUVGWENJRZAV-JOYOIKCWSA-N 0 3 193.290 2.039 10 0 AEAEHN CCC(C)(C)Cn1cc(C)c(CN)n1 713215050 572103193 /nfs/dbraw/zinc/10/31/93/572103193.db2.gz ZJRVFWDWPRRJEY-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN N[C@@H](C(=O)C[C@@H]1CC=CCC1)C1CC1 402261439 572103577 /nfs/dbraw/zinc/10/35/77/572103577.db2.gz GOQUVGWENJRZAV-BXKDBHETSA-N 0 3 193.290 2.039 10 0 AEAEHN CCCN(C(C)C)[C@H](C)C(C)=O 37335072 572112846 /nfs/dbraw/zinc/11/28/46/572112846.db2.gz ALNZYUBILFGAKD-SECBINFHSA-N 0 3 171.284 2.084 10 0 AEAEHN CC(C)(C)C(F)(F)C(C)(C)N 17415276 572105009 /nfs/dbraw/zinc/10/50/09/572105009.db2.gz UMDCPQIMYIZOLS-UHFFFAOYSA-N 0 3 165.227 2.405 10 0 AEAEHN CC[C@@H](N)C(=O)C[C@H](C)CC(C)C 300938341 572105505 /nfs/dbraw/zinc/10/55/05/572105505.db2.gz OMWFQGWXVDGACU-NXEZZACHSA-N 0 3 185.311 2.365 10 0 AEAEHN C[C@@H]1C[C@H](N)c2cccc(F)c2N1 71481099 572105582 /nfs/dbraw/zinc/10/55/82/572105582.db2.gz LVNPMWQWMZVMEF-MUWHJKNJSA-N 0 3 180.226 2.030 10 0 AEAEHN C[C@H]1C[C@H](N)c2cccc(F)c2N1 71481100 572105626 /nfs/dbraw/zinc/10/56/26/572105626.db2.gz LVNPMWQWMZVMEF-RCOVLWMOSA-N 0 3 180.226 2.030 10 0 AEAEHN C[C@H]1C[C@@H](N)c2cccc(F)c2N1 71481102 572106215 /nfs/dbraw/zinc/10/62/15/572106215.db2.gz LVNPMWQWMZVMEF-IMTBSYHQSA-N 0 3 180.226 2.030 10 0 AEAEHN C[C@@H]1C[C@@H](N)c2cccc(F)c2N1 71481101 572106269 /nfs/dbraw/zinc/10/62/69/572106269.db2.gz LVNPMWQWMZVMEF-HZGVNTEJSA-N 0 3 180.226 2.030 10 0 AEAEHN CC(C)NCc1cn(C)nc1C(C)C 37186313 572106536 /nfs/dbraw/zinc/10/65/36/572106536.db2.gz VDOQOWKAIGJAHG-UHFFFAOYSA-N 0 3 195.310 2.042 10 0 AEAEHN CCCN(C)c1ccc(F)cc1CN 37236676 572106761 /nfs/dbraw/zinc/10/67/61/572106761.db2.gz ITEZVYQFZLKANB-UHFFFAOYSA-N 0 3 196.269 2.131 10 0 AEAEHN CCCN1CC(c2cccc(O)c2)C1 34775449 572107348 /nfs/dbraw/zinc/10/73/48/572107348.db2.gz PCODXLSGTUGZGD-UHFFFAOYSA-N 0 3 191.274 2.201 10 0 AEAEHN CC[C@H](N)C(=O)C[C@H](C)CC(C)C 300939076 572107959 /nfs/dbraw/zinc/10/79/59/572107959.db2.gz OMWFQGWXVDGACU-ZJUUUORDSA-N 0 3 185.311 2.365 10 0 AEAEHN CCc1ccc([C@H](N)[C@H](C)OC)cc1 37224013 572108381 /nfs/dbraw/zinc/10/83/81/572108381.db2.gz KROAJTRKWJGYSY-JOYOIKCWSA-N 0 3 193.290 2.284 10 0 AEAEHN CCc1ccc([C@@H](N)[C@@H](C)OC)cc1 37224012 572108448 /nfs/dbraw/zinc/10/84/48/572108448.db2.gz KROAJTRKWJGYSY-SKDRFNHKSA-N 0 3 193.290 2.284 10 0 AEAEHN CC[C@H](N)C(=O)C[C@@H](C)CC(C)C 300939074 572108848 /nfs/dbraw/zinc/10/88/48/572108848.db2.gz OMWFQGWXVDGACU-UWVGGRQHSA-N 0 3 185.311 2.365 10 0 AEAEHN CC(C)CC[C@](C)(N)C(F)F 17546220 572108864 /nfs/dbraw/zinc/10/88/64/572108864.db2.gz WQUHOUWINZBCLE-QMMMGPOBSA-N 0 3 165.227 2.405 10 0 AEAEHN CC(C)CC[C@@](C)(N)C(F)F 17546218 572109263 /nfs/dbraw/zinc/10/92/63/572109263.db2.gz WQUHOUWINZBCLE-MRVPVSSYSA-N 0 3 165.227 2.405 10 0 AEAEHN CC[C@@H](N)C(=O)C[C@@H](C)CC(C)C 300939075 572109289 /nfs/dbraw/zinc/10/92/89/572109289.db2.gz OMWFQGWXVDGACU-VHSXEESVSA-N 0 3 185.311 2.365 10 0 AEAEHN CCc1ccc([C@@H](N)[C@H](C)OC)cc1 37224014 572110046 /nfs/dbraw/zinc/11/00/46/572110046.db2.gz KROAJTRKWJGYSY-CABZTGNLSA-N 0 3 193.290 2.284 10 0 AEAEHN CCc1ccc([C@H](N)[C@@H](C)OC)cc1 37224011 572110121 /nfs/dbraw/zinc/11/01/21/572110121.db2.gz KROAJTRKWJGYSY-BXKDBHETSA-N 0 3 193.290 2.284 10 0 AEAEHN NC/C(Cl)=C/c1ccccc1 34865802 572110298 /nfs/dbraw/zinc/11/02/98/572110298.db2.gz QGLGJVOXJGWJAI-TWGQIWQCSA-N 0 3 167.639 2.225 10 0 AEAEHN CCCN(CC)CC(=O)C(C)(C)C 37335000 572110411 /nfs/dbraw/zinc/11/04/11/572110411.db2.gz SCTWNWAXYCJFCY-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CCN(CC(C)C)[C@H]1CCCC1=O 37336281 572110432 /nfs/dbraw/zinc/11/04/32/572110432.db2.gz WLMADUDIHNIWEM-JTQLQIEISA-N 0 3 183.295 2.086 10 0 AEAEHN CCCCN(CC)[C@@H]1CCCC1=O 37331574 572111105 /nfs/dbraw/zinc/11/11/05/572111105.db2.gz CPSMVJMEPYNGGD-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCN(CC(=O)C(C)(C)C)C1CC1 37335385 572110740 /nfs/dbraw/zinc/11/07/40/572110740.db2.gz KQVKTSYEWGDBMI-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN(C(C)C)[C@@H](C)C(C)=O 37335070 572111118 /nfs/dbraw/zinc/11/11/18/572111118.db2.gz ALNZYUBILFGAKD-VIFPVBQESA-N 0 3 171.284 2.084 10 0 AEAEHN C[C@@H](C1CC1)N(C)CC(=O)C(C)(C)C 37338919 572111175 /nfs/dbraw/zinc/11/11/75/572111175.db2.gz HYPZEZDUAPEMRV-VIFPVBQESA-N 0 3 197.322 2.332 10 0 AEAEHN CCCN(C1CC1)[C@H]1CCCCC1=O 37335284 572111495 /nfs/dbraw/zinc/11/14/95/572111495.db2.gz COPRFECHASKAME-NSHDSACASA-N 0 3 195.306 2.373 10 0 AEAEHN CC(C)=CCNC(C)(C)CF 17642791 572111884 /nfs/dbraw/zinc/11/18/84/572111884.db2.gz ZFTRLICRRJMTBE-UHFFFAOYSA-N 0 3 159.248 2.290 10 0 AEAEHN CCCN(CCC)[C@H]1CCCC1=O 37333094 572112004 /nfs/dbraw/zinc/11/20/04/572112004.db2.gz QESWQPNSVGYHEQ-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CC[C@H](C)N(C)CC(=O)C(C)(C)C 37336146 572112093 /nfs/dbraw/zinc/11/20/93/572112093.db2.gz RJPRYGMJUVNZAI-VIFPVBQESA-N 0 3 185.311 2.332 10 0 AEAEHN CCCCCN(C)[C@@H]1CCCC1=O 37336802 572112264 /nfs/dbraw/zinc/11/22/64/572112264.db2.gz CJPOQLXWEHXAGI-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCCCN(C)[C@@H](C)C(C)=O 37336772 572112276 /nfs/dbraw/zinc/11/22/76/572112276.db2.gz KCOWFKDRRKTVKG-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CC[C@@H](C)N(CC)[C@@H](C)C(C)=O 37336462 572112285 /nfs/dbraw/zinc/11/22/85/572112285.db2.gz WCLIXXLYRUTQHF-BDAKNGLRSA-N 0 3 171.284 2.084 10 0 AEAEHN CCCCN(C)[C@@H]1CCCCC1=O 37331390 572112341 /nfs/dbraw/zinc/11/23/41/572112341.db2.gz BIUGPHCTYZATHI-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCN(CC(=O)C(C)(C)C)C(C)C 37334523 572112354 /nfs/dbraw/zinc/11/23/54/572112354.db2.gz IIUWWNUAWWFFGX-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN CCN(CC(C)C)[C@@H]1CCCC1=O 37336279 572112456 /nfs/dbraw/zinc/11/24/56/572112456.db2.gz WLMADUDIHNIWEM-SNVBAGLBSA-N 0 3 183.295 2.086 10 0 AEAEHN CCCCN(CC)[C@H]1CCCC1=O 37331576 572112502 /nfs/dbraw/zinc/11/25/02/572112502.db2.gz CPSMVJMEPYNGGD-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CC[C@@H](C)N(C)CC(=O)C(C)(C)C 37336144 572112484 /nfs/dbraw/zinc/11/24/84/572112484.db2.gz RJPRYGMJUVNZAI-SECBINFHSA-N 0 3 185.311 2.332 10 0 AEAEHN CCCCCN(C)[C@H]1CCCC1=O 37336804 572112528 /nfs/dbraw/zinc/11/25/28/572112528.db2.gz CJPOQLXWEHXAGI-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CN(CC(=O)C(C)(C)C)C1CCCC1 37334786 572112549 /nfs/dbraw/zinc/11/25/49/572112549.db2.gz RIKCMQBEKGTQMP-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCCN(C)[C@H]1CCCCC1=O 37331392 572112567 /nfs/dbraw/zinc/11/25/67/572112567.db2.gz BIUGPHCTYZATHI-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CCC(CC)N(C)[C@@H](C)C(C)=O 37339120 572112577 /nfs/dbraw/zinc/11/25/77/572112577.db2.gz PKHFICMRZWYAGB-QMMMGPOBSA-N 0 3 171.284 2.084 10 0 AEAEHN CCN(C1CCCC1)[C@H](C)C(C)=O 37337451 572112684 /nfs/dbraw/zinc/11/26/84/572112684.db2.gz OENPSNIKSOBXOO-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN C[C@H](C1CC1)N(C)CC(=O)C(C)(C)C 37338920 572112707 /nfs/dbraw/zinc/11/27/07/572112707.db2.gz HYPZEZDUAPEMRV-SECBINFHSA-N 0 3 197.322 2.332 10 0 AEAEHN CCCN(CCC)[C@@H]1CCCC1=O 37333092 572112728 /nfs/dbraw/zinc/11/27/28/572112728.db2.gz QESWQPNSVGYHEQ-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCN(C(C)C)[C@H]1CCCC1=O 37335102 572112815 /nfs/dbraw/zinc/11/28/15/572112815.db2.gz IKLJHYRHDMPXBW-JTQLQIEISA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@H](C)CN(C)[C@@H]1CCCCC1=O 37337011 572112823 /nfs/dbraw/zinc/11/28/23/572112823.db2.gz RYSFYLXQWJPCIB-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN(C1CC1)[C@@H]1CCCCC1=O 37335282 572112834 /nfs/dbraw/zinc/11/28/34/572112834.db2.gz COPRFECHASKAME-LLVKDONJSA-N 0 3 195.306 2.373 10 0 AEAEHN CCN(C1CCCC1)[C@@H](C)C(C)=O 37337449 572112867 /nfs/dbraw/zinc/11/28/67/572112867.db2.gz OENPSNIKSOBXOO-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@H](C)N(CC)[C@@H](C)C(C)=O 37336464 572112930 /nfs/dbraw/zinc/11/29/30/572112930.db2.gz WCLIXXLYRUTQHF-IUCAKERBSA-N 0 3 171.284 2.084 10 0 AEAEHN CCCCCN(C)[C@H](C)C(C)=O 37336774 572113049 /nfs/dbraw/zinc/11/30/49/572113049.db2.gz KCOWFKDRRKTVKG-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CC[C@@H](C)CN(C)[C@@H]1CCCC1=O 37337025 572113270 /nfs/dbraw/zinc/11/32/70/572113270.db2.gz GFJHAZHZMJEDNP-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](C)N(CC)[C@@H]1CCCC1=O 37336516 572113376 /nfs/dbraw/zinc/11/33/76/572113376.db2.gz FYAHPZWGHUMOFP-VHSXEESVSA-N 0 3 183.295 2.228 10 0 AEAEHN CCCN(C(C)C)[C@@H]1CCCC1=O 37335100 572113427 /nfs/dbraw/zinc/11/34/27/572113427.db2.gz IKLJHYRHDMPXBW-SNVBAGLBSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@H](C)CN(C)[C@@H]1CCCC1=O 37337027 572113602 /nfs/dbraw/zinc/11/36/02/572113602.db2.gz GFJHAZHZMJEDNP-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CCNCC(=O)CCCC(C)(C)C 300944340 572114019 /nfs/dbraw/zinc/11/40/19/572114019.db2.gz WLLQFJRIZMYRHL-UHFFFAOYSA-N 0 3 185.311 2.381 10 0 AEAEHN c1cc(CNCCOC2CC2)cs1 711764255 572114331 /nfs/dbraw/zinc/11/43/31/572114331.db2.gz ALHOBJBIGAMGRO-UHFFFAOYSA-N 0 3 197.303 2.017 10 0 AEAEHN CCC(CC)N(C)[C@H](C)C(C)=O 37339121 572114457 /nfs/dbraw/zinc/11/44/57/572114457.db2.gz PKHFICMRZWYAGB-MRVPVSSYSA-N 0 3 171.284 2.084 10 0 AEAEHN CCC[C@@H](C)N(C)[C@@H]1CCCC1=O 37339247 572114545 /nfs/dbraw/zinc/11/45/45/572114545.db2.gz GJWRIDQIIVNKAJ-NXEZZACHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC(=O)CCCCN1CCCCC1 37322706 572115287 /nfs/dbraw/zinc/11/52/87/572115287.db2.gz FQAKLSIJTWOAQA-UHFFFAOYSA-N 0 3 183.295 2.232 10 0 AEAEHN CCC[C@H](C)N(C)[C@@H]1CCCC1=O 37339248 572115510 /nfs/dbraw/zinc/11/55/10/572115510.db2.gz GJWRIDQIIVNKAJ-VHSXEESVSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC[C@@H](C)N(C)[C@@H](C)C(C)=O 37339221 572115640 /nfs/dbraw/zinc/11/56/40/572115640.db2.gz KLYUKBCGBGOJOT-BDAKNGLRSA-N 0 3 171.284 2.084 10 0 AEAEHN CCC(CC)N(C)[C@@H]1CCCC1=O 37339135 572116130 /nfs/dbraw/zinc/11/61/30/572116130.db2.gz QLYZVCKMVLNSGV-SNVBAGLBSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC(CC)N(C)[C@H]1CCCC1=O 37339136 572116021 /nfs/dbraw/zinc/11/60/21/572116021.db2.gz QLYZVCKMVLNSGV-JTQLQIEISA-N 0 3 183.295 2.228 10 0 AEAEHN CCC[C@H](C)N(C)[C@@H](C)C(C)=O 37339222 572116387 /nfs/dbraw/zinc/11/63/87/572116387.db2.gz KLYUKBCGBGOJOT-IUCAKERBSA-N 0 3 171.284 2.084 10 0 AEAEHN CC(C)C[C@H](C)Cn1nccc1CN 300945917 572117007 /nfs/dbraw/zinc/11/70/07/572117007.db2.gz PEHQRBCQIOSSFL-JTQLQIEISA-N 0 3 195.310 2.024 10 0 AEAEHN CC[C@H]1CCCCN1[C@@H](C)C(C)=O 35021046 572117617 /nfs/dbraw/zinc/11/76/17/572117617.db2.gz XZDKGTQSFSPGJW-ONGXEEELSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@@H]1CCCCN1[C@@H](C)C(C)=O 35021044 572119010 /nfs/dbraw/zinc/11/90/10/572119010.db2.gz XZDKGTQSFSPGJW-GXSJLCMTSA-N 0 3 183.295 2.228 10 0 AEAEHN CC(C)C[C@@H](C)Cn1nccc1CN 300945920 572119279 /nfs/dbraw/zinc/11/92/79/572119279.db2.gz PEHQRBCQIOSSFL-SNVBAGLBSA-N 0 3 195.310 2.024 10 0 AEAEHN C[C@@H](NC[C@@H]1C=CCC1)c1cc[nH]n1 711778267 572119669 /nfs/dbraw/zinc/11/96/69/572119669.db2.gz PPXXSVVDCHDALW-NXEZZACHSA-N 0 3 191.278 2.027 10 0 AEAEHN C[C@H]1C[C@H](N)c2cc(F)ccc2N1 71481312 572119859 /nfs/dbraw/zinc/11/98/59/572119859.db2.gz LFUWERIVOXITBY-RCOVLWMOSA-N 0 3 180.226 2.030 10 0 AEAEHN C[C@H](NC[C@@H]1C=CCC1)c1cc[nH]n1 711778269 572119746 /nfs/dbraw/zinc/11/97/46/572119746.db2.gz PPXXSVVDCHDALW-VHSXEESVSA-N 0 3 191.278 2.027 10 0 AEAEHN C[C@H]1C[C@H](c2ccccc2)OCN1 196198203 572119968 /nfs/dbraw/zinc/11/99/68/572119968.db2.gz AIQMSPCVKFJUHN-GXSJLCMTSA-N 0 3 177.247 2.084 10 0 AEAEHN C[C@@H]1C[C@@H](N)c2cc(F)ccc2N1 71481313 572120168 /nfs/dbraw/zinc/12/01/68/572120168.db2.gz LFUWERIVOXITBY-HZGVNTEJSA-N 0 3 180.226 2.030 10 0 AEAEHN C[C@@H]1C[C@@H](c2ccccc2)OCN1 196198209 572120414 /nfs/dbraw/zinc/12/04/14/572120414.db2.gz AIQMSPCVKFJUHN-KOLCDFICSA-N 0 3 177.247 2.084 10 0 AEAEHN C[C@@H]1C[C@H](N)c2cc(F)ccc2N1 71481311 572120523 /nfs/dbraw/zinc/12/05/23/572120523.db2.gz LFUWERIVOXITBY-MUWHJKNJSA-N 0 3 180.226 2.030 10 0 AEAEHN C[C@@H]1C[C@H](c2ccccc2)OCN1 196198197 572120673 /nfs/dbraw/zinc/12/06/73/572120673.db2.gz AIQMSPCVKFJUHN-MWLCHTKSSA-N 0 3 177.247 2.084 10 0 AEAEHN C[C@H](NC[C@H]1C=CCC1)c1cc[nH]n1 711778268 572121341 /nfs/dbraw/zinc/12/13/41/572121341.db2.gz PPXXSVVDCHDALW-UWVGGRQHSA-N 0 3 191.278 2.027 10 0 AEAEHN Cc1c[nH]c(N[C@@H]2CC[C@H](C)C2)n1 235633787 572121461 /nfs/dbraw/zinc/12/14/61/572121461.db2.gz YPOGYNBDJBICJQ-IONNQARKSA-N 0 3 179.267 2.319 10 0 AEAEHN C[C@H]1C[C@@H](N)c2cc(F)ccc2N1 71481314 572121913 /nfs/dbraw/zinc/12/19/13/572121913.db2.gz LFUWERIVOXITBY-IMTBSYHQSA-N 0 3 180.226 2.030 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1ccnc(C)n1 300342227 572121966 /nfs/dbraw/zinc/12/19/66/572121966.db2.gz AORYSFXFWVPIKJ-KCJUWKMLSA-N 0 3 193.294 2.221 10 0 AEAEHN NC1(c2cc3sccc3cn2)CC1 214610474 572122043 /nfs/dbraw/zinc/12/20/43/572122043.db2.gz DHJFCZYLQPPJMG-UHFFFAOYSA-N 0 3 190.271 2.244 10 0 AEAEHN CCC[C@@H](C)[C@H](NC)c1ncc[nH]1 300342222 572122810 /nfs/dbraw/zinc/12/28/10/572122810.db2.gz AOERZXUFVCTSME-BDAKNGLRSA-N 0 3 181.283 2.106 10 0 AEAEHN CCSC[C@H](C)NC/C=C/Cl 300342237 572123294 /nfs/dbraw/zinc/12/32/94/572123294.db2.gz AQDRCSNOEFRQRN-ZJELKQJVSA-N 0 3 193.743 2.470 10 0 AEAEHN CCCN[C@H](CCOC)c1ccoc1 69630925 572124798 /nfs/dbraw/zinc/12/47/98/572124798.db2.gz PEZPZYUJCSUXHS-LLVKDONJSA-N 0 3 197.278 2.357 10 0 AEAEHN CCC[C@@H](C)[C@H](NCC)c1ncc[nH]1 300343666 572124911 /nfs/dbraw/zinc/12/49/11/572124911.db2.gz NFDOFEROJYKWSY-ZJUUUORDSA-N 0 3 195.310 2.497 10 0 AEAEHN CCC[C@H](C)N1CCC(=O)[C@H](CC)C1 300346172 572125120 /nfs/dbraw/zinc/12/51/20/572125120.db2.gz HMFJCYTZATYMEN-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC[C@@H](C)[C@H](NC)c1cnns1 300343721 572125199 /nfs/dbraw/zinc/12/51/99/572125199.db2.gz BFKWPAGXINFTET-APPZFPTMSA-N 0 3 199.323 2.235 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1cc(C)nn1C 300346657 572125572 /nfs/dbraw/zinc/12/55/72/572125572.db2.gz JDAUIFRXVARPIZ-KCJUWKMLSA-N 0 3 195.310 2.165 10 0 AEAEHN Nc1cccc2c3c[nH]ccc-3nc12 196183988 572125616 /nfs/dbraw/zinc/12/56/16/572125616.db2.gz HSXSDOQYXKNVBO-UHFFFAOYSA-N 0 3 183.214 2.298 10 0 AEAEHN CCC[C@H](C)C(=O)[C@@H](N)[C@H](C)CC 300344616 572125665 /nfs/dbraw/zinc/12/56/65/572125665.db2.gz DLKPDIKRYXDBIZ-UTLUCORTSA-N 0 3 185.311 2.365 10 0 AEAEHN CCC[C@@H](C)N1CCC(=O)[C@H](CC)C1 300346171 572125803 /nfs/dbraw/zinc/12/58/03/572125803.db2.gz HMFJCYTZATYMEN-GHMZBOCLSA-N 0 3 197.322 2.476 10 0 AEAEHN CN[C@H](C[C@H]1CCCO1)c1ccoc1 69630782 572126344 /nfs/dbraw/zinc/12/63/44/572126344.db2.gz WTFLMXPRSZJWPH-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN CCC[C@@H](C)[C@H](NC)c1ccncn1 300346296 572126524 /nfs/dbraw/zinc/12/65/24/572126524.db2.gz ZDMKDHMMGKSPFG-KOLCDFICSA-N 0 3 193.294 2.173 10 0 AEAEHN CCC[C@@H](C)[C@H](NC)c1cn(C)cn1 300346825 572126662 /nfs/dbraw/zinc/12/66/62/572126662.db2.gz JBKJRCAUUDNJDM-KOLCDFICSA-N 0 3 195.310 2.117 10 0 AEAEHN CN[C@H](C[C@@H]1CCCO1)c1ccoc1 69630776 572126692 /nfs/dbraw/zinc/12/66/92/572126692.db2.gz WTFLMXPRSZJWPH-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@@H](C[C@@H]1CCCO1)c1ccoc1 69630775 572126784 /nfs/dbraw/zinc/12/67/84/572126784.db2.gz WTFLMXPRSZJWPH-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CCCN[C@@H](CCOC)c1ccoc1 69630924 572127177 /nfs/dbraw/zinc/12/71/77/572127177.db2.gz PEZPZYUJCSUXHS-NSHDSACASA-N 0 3 197.278 2.357 10 0 AEAEHN CN[C@@H](C[C@H]1CCCO1)c1ccoc1 69630779 572126976 /nfs/dbraw/zinc/12/69/76/572126976.db2.gz WTFLMXPRSZJWPH-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN CCC[C@H](C)C[C@@H](N)c1ccncn1 69639320 572127707 /nfs/dbraw/zinc/12/77/07/572127707.db2.gz UTFJKLMVUHVIOK-VHSXEESVSA-N 0 3 193.294 2.303 10 0 AEAEHN CC(C)(C)CC[C@@H](N)c1ccncn1 69639144 572127723 /nfs/dbraw/zinc/12/77/23/572127723.db2.gz WZTQXXZFZFBSEH-SECBINFHSA-N 0 3 193.294 2.303 10 0 AEAEHN CC(C)CCC[C@H](N)c1cn(C)cn1 300347208 572127745 /nfs/dbraw/zinc/12/77/45/572127745.db2.gz MDZRBRKRIBLQFS-JTQLQIEISA-N 0 3 195.310 2.246 10 0 AEAEHN C[C@H](CC1CC1)N[C@H](C)c1cc[nH]n1 69662602 572127936 /nfs/dbraw/zinc/12/79/36/572127936.db2.gz UJABHZFSHCFCMX-RKDXNWHRSA-N 0 3 193.294 2.249 10 0 AEAEHN CCCCC[C@@H](NC)c1ccncn1 69639638 572127981 /nfs/dbraw/zinc/12/79/81/572127981.db2.gz KPVNRDXJVDUCQW-SNVBAGLBSA-N 0 3 193.294 2.317 10 0 AEAEHN CCC[C@H](C)C[C@H](N)c1ccncn1 69639318 572128046 /nfs/dbraw/zinc/12/80/46/572128046.db2.gz UTFJKLMVUHVIOK-UWVGGRQHSA-N 0 3 193.294 2.303 10 0 AEAEHN CCCCC[C@@H](N)c1ccncn1 69639397 572128091 /nfs/dbraw/zinc/12/80/91/572128091.db2.gz SVUWQDQUQBQZQS-SECBINFHSA-N 0 3 179.267 2.057 10 0 AEAEHN CC(C)(C)CC[C@H](N)c1ccncn1 69639142 572128191 /nfs/dbraw/zinc/12/81/91/572128191.db2.gz WZTQXXZFZFBSEH-VIFPVBQESA-N 0 3 193.294 2.303 10 0 AEAEHN O=C(CNC1CC1)C[C@@H]1CC=CCC1 402328265 572128389 /nfs/dbraw/zinc/12/83/89/572128389.db2.gz HKUYEOOSJQUCHG-SNVBAGLBSA-N 0 3 193.290 2.054 10 0 AEAEHN C[C@H](N[C@H](C)CC1CC1)c1cc[nH]n1 69662588 572128503 /nfs/dbraw/zinc/12/85/03/572128503.db2.gz UJABHZFSHCFCMX-BDAKNGLRSA-N 0 3 193.294 2.249 10 0 AEAEHN CCC[C@@H](C)C[C@H](N)c1ccncn1 69639317 572128718 /nfs/dbraw/zinc/12/87/18/572128718.db2.gz UTFJKLMVUHVIOK-ZJUUUORDSA-N 0 3 193.294 2.303 10 0 AEAEHN CN[C@@H](CCC(C)C)c1ccncn1 69639552 572129096 /nfs/dbraw/zinc/12/90/96/572129096.db2.gz CELFIKDFZXVGEI-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@@H](CC1CC1)N[C@H](C)c1cc[nH]n1 69662594 572129122 /nfs/dbraw/zinc/12/91/22/572129122.db2.gz UJABHZFSHCFCMX-DTWKUNHWSA-N 0 3 193.294 2.249 10 0 AEAEHN CC[C@H](C)C[C@@H](NC)c1ccncn1 69639510 572129151 /nfs/dbraw/zinc/12/91/51/572129151.db2.gz GTFFGSGNSJWJDT-GXSJLCMTSA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@H](CC(C)C)c1ccncn1 69639768 572129293 /nfs/dbraw/zinc/12/92/93/572129293.db2.gz LOQGHNUXQYAOEJ-LLVKDONJSA-N 0 3 193.294 2.173 10 0 AEAEHN Cc1ccc([C@H]2CN[C@H](C)O2)cc1 71497273 572129358 /nfs/dbraw/zinc/12/93/58/572129358.db2.gz CPORGJRFHCZCRG-GXSJLCMTSA-N 0 3 177.247 2.002 10 0 AEAEHN CCN[C@@H](c1ccncn1)C(C)(C)C 69639750 572129484 /nfs/dbraw/zinc/12/94/84/572129484.db2.gz MOMVBTDUYDMANA-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN Cc1cccc([C@@H]2CN[C@H](C)O2)c1 71497244 572129594 /nfs/dbraw/zinc/12/95/94/572129594.db2.gz WGDLFBVCBSRORP-ONGXEEELSA-N 0 3 177.247 2.002 10 0 AEAEHN CC[C@H](C)C[C@H](NC)c1ccncn1 69639507 572129601 /nfs/dbraw/zinc/12/96/01/572129601.db2.gz GTFFGSGNSJWJDT-ONGXEEELSA-N 0 3 193.294 2.173 10 0 AEAEHN Cc1ccccc1[C@H]1CN[C@@H](C)O1 71497221 572129751 /nfs/dbraw/zinc/12/97/51/572129751.db2.gz AVPXVCABYLSTDA-MWLCHTKSSA-N 0 3 177.247 2.002 10 0 AEAEHN CC[C@@H](C)C[C@@H](NC)c1ccncn1 69639509 572129752 /nfs/dbraw/zinc/12/97/52/572129752.db2.gz GTFFGSGNSJWJDT-MWLCHTKSSA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@@H](CC(C)C)c1ccncn1 69639765 572129931 /nfs/dbraw/zinc/12/99/31/572129931.db2.gz LOQGHNUXQYAOEJ-NSHDSACASA-N 0 3 193.294 2.173 10 0 AEAEHN CCCCC[C@H](NC)c1ccncn1 69639637 572129953 /nfs/dbraw/zinc/12/99/53/572129953.db2.gz KPVNRDXJVDUCQW-JTQLQIEISA-N 0 3 193.294 2.317 10 0 AEAEHN Cc1ccc([C@@H]2CN[C@H](C)O2)cc1 71497272 572129963 /nfs/dbraw/zinc/12/99/63/572129963.db2.gz CPORGJRFHCZCRG-ONGXEEELSA-N 0 3 177.247 2.002 10 0 AEAEHN CN[C@H](CCC(C)C)c1ccncn1 69639553 572130010 /nfs/dbraw/zinc/13/00/10/572130010.db2.gz CELFIKDFZXVGEI-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN Cc1ccccc1[C@@H]1CN[C@@H](C)O1 71497220 572130052 /nfs/dbraw/zinc/13/00/52/572130052.db2.gz AVPXVCABYLSTDA-KOLCDFICSA-N 0 3 177.247 2.002 10 0 AEAEHN C[C@@H](CC1CC1)N[C@@H](C)c1cc[nH]n1 69662585 572130059 /nfs/dbraw/zinc/13/00/59/572130059.db2.gz UJABHZFSHCFCMX-IUCAKERBSA-N 0 3 193.294 2.249 10 0 AEAEHN CCCC[C@@H](NCC)c1ccncn1 69639701 572130155 /nfs/dbraw/zinc/13/01/55/572130155.db2.gz BULSIFPHDYZWIU-SNVBAGLBSA-N 0 3 193.294 2.317 10 0 AEAEHN Cc1cccc([C@H]2CN[C@H](C)O2)c1 71497246 572130413 /nfs/dbraw/zinc/13/04/13/572130413.db2.gz WGDLFBVCBSRORP-GXSJLCMTSA-N 0 3 177.247 2.002 10 0 AEAEHN Cc1ccccc1[C@@H]1CN[C@H](C)O1 71497217 572130463 /nfs/dbraw/zinc/13/04/63/572130463.db2.gz AVPXVCABYLSTDA-ONGXEEELSA-N 0 3 177.247 2.002 10 0 AEAEHN CC[C@H](CC1CC1)NCc1cc[nH]n1 69671003 572130603 /nfs/dbraw/zinc/13/06/03/572130603.db2.gz LHYNCFHLINDTHY-SNVBAGLBSA-N 0 3 193.294 2.078 10 0 AEAEHN CC[C@@H](CC1CC1)NCc1cc[nH]n1 69671001 572130830 /nfs/dbraw/zinc/13/08/30/572130830.db2.gz LHYNCFHLINDTHY-JTQLQIEISA-N 0 3 193.294 2.078 10 0 AEAEHN CC[C@H](CC1CC1)Nc1nccn1C 69667450 572131181 /nfs/dbraw/zinc/13/11/81/572131181.db2.gz DDOMHALYWUNWDN-SNVBAGLBSA-N 0 3 193.294 2.411 10 0 AEAEHN Cc1ccc([C@@H]2CN[C@@H](C)O2)cc1 71497275 572131344 /nfs/dbraw/zinc/13/13/44/572131344.db2.gz CPORGJRFHCZCRG-KOLCDFICSA-N 0 3 177.247 2.002 10 0 AEAEHN CC[C@H](CC1CC1)NCc1ncc[nH]1 69671088 572131400 /nfs/dbraw/zinc/13/14/00/572131400.db2.gz OEJVKCAFDXEXHT-SNVBAGLBSA-N 0 3 193.294 2.078 10 0 AEAEHN Cc1cccc([C@H]2CN[C@@H](C)O2)c1 71497251 572131531 /nfs/dbraw/zinc/13/15/31/572131531.db2.gz WGDLFBVCBSRORP-MWLCHTKSSA-N 0 3 177.247 2.002 10 0 AEAEHN Cc1ccccc1[C@H]1CN[C@H](C)O1 71497218 572131607 /nfs/dbraw/zinc/13/16/07/572131607.db2.gz AVPXVCABYLSTDA-GXSJLCMTSA-N 0 3 177.247 2.002 10 0 AEAEHN Cc1cccc([C@@H]2CN[C@@H](C)O2)c1 71497248 572131693 /nfs/dbraw/zinc/13/16/93/572131693.db2.gz WGDLFBVCBSRORP-KOLCDFICSA-N 0 3 177.247 2.002 10 0 AEAEHN Cc1ccc([C@H]2CN[C@@H](C)O2)cc1 71497276 572131704 /nfs/dbraw/zinc/13/17/04/572131704.db2.gz CPORGJRFHCZCRG-MWLCHTKSSA-N 0 3 177.247 2.002 10 0 AEAEHN CC[C@H](CC1CC1)NC1=NCCS1 69667962 572131857 /nfs/dbraw/zinc/13/18/57/572131857.db2.gz NGMWWEXLCLUQQD-SECBINFHSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@@H](CC1CC1)NC1=NCCS1 69667959 572132298 /nfs/dbraw/zinc/13/22/98/572132298.db2.gz NGMWWEXLCLUQQD-VIFPVBQESA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@H](CC1CC1)N1CCC(=O)CC1 69666419 572132333 /nfs/dbraw/zinc/13/23/33/572132333.db2.gz GHGYVDAHLJQDIO-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1ccc(Nc2nc(C)c[nH]2)cn1 235870875 572132720 /nfs/dbraw/zinc/13/27/20/572132720.db2.gz XLKIMDAATGGPPC-UHFFFAOYSA-N 0 3 188.234 2.165 10 0 AEAEHN CC[C@@H](CC1CC1)Nc1nccn1C 69667447 572132556 /nfs/dbraw/zinc/13/25/56/572132556.db2.gz DDOMHALYWUNWDN-JTQLQIEISA-N 0 3 193.294 2.411 10 0 AEAEHN CC[C@@H](CC1CC1)N1CCC(=O)CC1 69666416 572132704 /nfs/dbraw/zinc/13/27/04/572132704.db2.gz GHGYVDAHLJQDIO-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1cccc([C@H](N)c2ccncc2)c1 37466467 572132747 /nfs/dbraw/zinc/13/27/47/572132747.db2.gz APIDSFXTZNJQLU-CYBMUJFWSA-N 0 3 198.269 2.438 10 0 AEAEHN CC[C@@H](CC1CC1)NCc1ncc[nH]1 69671085 572132785 /nfs/dbraw/zinc/13/27/85/572132785.db2.gz OEJVKCAFDXEXHT-JTQLQIEISA-N 0 3 193.294 2.078 10 0 AEAEHN Cc1cccc([C@H](N)c2cccnc2)c1 37466394 572132886 /nfs/dbraw/zinc/13/28/86/572132886.db2.gz BNNKECMBFMOAAG-ZDUSSCGKSA-N 0 3 198.269 2.438 10 0 AEAEHN CC1=CC2=CCCC[C@H]2N=C1 687822022 572133104 /nfs/dbraw/zinc/13/31/04/572133104.db2.gz ATYVQPNBSXZVPU-SNVBAGLBSA-N 0 3 147.221 2.496 10 0 AEAEHN Cc1cccc([C@@H](N)c2cccnc2)c1 37466396 572133979 /nfs/dbraw/zinc/13/39/79/572133979.db2.gz BNNKECMBFMOAAG-CYBMUJFWSA-N 0 3 198.269 2.438 10 0 AEAEHN CC1=CC2=CCCC[C@@H]2N=C1 687822021 572134089 /nfs/dbraw/zinc/13/40/89/572134089.db2.gz ATYVQPNBSXZVPU-JTQLQIEISA-N 0 3 147.221 2.496 10 0 AEAEHN Cc1cccc([C@@H](N)c2ccncc2)c1 37466469 572134780 /nfs/dbraw/zinc/13/47/80/572134780.db2.gz APIDSFXTZNJQLU-ZDUSSCGKSA-N 0 3 198.269 2.438 10 0 AEAEHN CCCN[C@@H](c1cnccn1)C(C)C 37469136 572137044 /nfs/dbraw/zinc/13/70/44/572137044.db2.gz VNHAQAWLFOGLSI-LLVKDONJSA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@H](NCc1ccccn1)C1(C)CC1 37467948 572134880 /nfs/dbraw/zinc/13/48/80/572134880.db2.gz KWIYWXRXKFYRCH-JTQLQIEISA-N 0 3 190.290 2.360 10 0 AEAEHN CN[C@@H](CC(C)C)c1ccccn1 37467452 572135041 /nfs/dbraw/zinc/13/50/41/572135041.db2.gz XASMQZOPTUIJJM-NSHDSACASA-N 0 3 178.279 2.388 10 0 AEAEHN CCC[C@@H](C)[C@@](F)(CC)CN 300350030 572135141 /nfs/dbraw/zinc/13/51/41/572135141.db2.gz SVWVPKPJITZHST-RKDXNWHRSA-N 0 3 161.264 2.500 10 0 AEAEHN CN[C@H](CC(C)C)c1ccccn1 37467454 572135301 /nfs/dbraw/zinc/13/53/01/572135301.db2.gz XASMQZOPTUIJJM-LLVKDONJSA-N 0 3 178.279 2.388 10 0 AEAEHN CCC[C@@H](C)[C@@](F)(CN)C1CC1 300350615 572135772 /nfs/dbraw/zinc/13/57/72/572135772.db2.gz WZJMFAVJFAFIOD-SCZZXKLOSA-N 0 3 173.275 2.500 10 0 AEAEHN CCN[C@@H](CC(C)C)c1cnccn1 37469130 572135756 /nfs/dbraw/zinc/13/57/56/572135756.db2.gz AMJLKLFWJZSPDP-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN CCCN[C@@H](c1ncccn1)C(C)C 37469193 572136393 /nfs/dbraw/zinc/13/63/93/572136393.db2.gz YXRJFQQPZPKOGP-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN CCCN[C@@H](CCC)c1cnccn1 37469138 572136443 /nfs/dbraw/zinc/13/64/43/572136443.db2.gz PQAYNTKURDEDSJ-JTQLQIEISA-N 0 3 193.294 2.317 10 0 AEAEHN CCCN[C@H](c1ncccn1)C(C)C 37469194 572136496 /nfs/dbraw/zinc/13/64/96/572136496.db2.gz YXRJFQQPZPKOGP-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN CCCN[C@H](CCC)c1cnccn1 37469139 572136533 /nfs/dbraw/zinc/13/65/33/572136533.db2.gz PQAYNTKURDEDSJ-SNVBAGLBSA-N 0 3 193.294 2.317 10 0 AEAEHN CC[C@@H](C)O[C@@H](CN)c1ccco1 43337857 572136594 /nfs/dbraw/zinc/13/65/94/572136594.db2.gz CTYWSMJYSVNCFI-SCZZXKLOSA-N 0 3 183.251 2.095 10 0 AEAEHN C[C@H]1CC[C@@H](Nc2ncc[nH]2)C1 235638297 572136731 /nfs/dbraw/zinc/13/67/31/572136731.db2.gz GCORZVRIDMKAMZ-JGVFFNPUSA-N 0 3 165.240 2.010 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1cnc(C)cn1 300350633 572137166 /nfs/dbraw/zinc/13/71/66/572137166.db2.gz XCLKHZHNDGTMGI-KCJUWKMLSA-N 0 3 193.294 2.221 10 0 AEAEHN CCCN[C@H](c1cnccn1)C(C)C 37469137 572137848 /nfs/dbraw/zinc/13/78/48/572137848.db2.gz VNHAQAWLFOGLSI-NSHDSACASA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@H](CC(C)C)c1cnccn1 37469131 572138249 /nfs/dbraw/zinc/13/82/49/572138249.db2.gz AMJLKLFWJZSPDP-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN CCNCc1cc(C)cc(C)c1OC 71506553 572140114 /nfs/dbraw/zinc/14/01/14/572140114.db2.gz UVPXGXHLZNVZQZ-UHFFFAOYSA-N 0 3 193.290 2.422 10 0 AEAEHN CCC[C@@H]1C[C@@H]1n1cncc1[C@@H](C)N 300363196 572140393 /nfs/dbraw/zinc/14/03/93/572140393.db2.gz GRCMIBYXNOYHST-BBBLOLIVSA-N 0 3 193.294 2.264 10 0 AEAEHN CC[C@@H]1C[C@@H]1NCc1cnccc1C 300366699 572140722 /nfs/dbraw/zinc/14/07/22/572140722.db2.gz LXDPMSWFKQVIBZ-PWSUYJOCSA-N 0 3 190.290 2.278 10 0 AEAEHN CC[C@@H]1C[C@@H]1NCc1cccc(C)n1 300375088 572143609 /nfs/dbraw/zinc/14/36/09/572143609.db2.gz CQTNKDRHVZBURC-PWSUYJOCSA-N 0 3 190.290 2.278 10 0 AEAEHN CCCC(=N)N(C)c1cccnc1 69764275 572144205 /nfs/dbraw/zinc/14/42/05/572144205.db2.gz SMNKKVCXQYSXRX-UHFFFAOYSA-N 0 3 177.251 2.295 10 0 AEAEHN CS[C@H]1CCCC[C@@H]1NCCF 300380065 572144293 /nfs/dbraw/zinc/14/42/93/572144293.db2.gz CQGSAEHBEMLZJS-IUCAKERBSA-N 0 3 191.315 2.220 10 0 AEAEHN CC(C)NCc1nc(C(C)C)c[nH]1 37477458 572144330 /nfs/dbraw/zinc/14/43/30/572144330.db2.gz QOTGDHXWPLPDTD-UHFFFAOYSA-N 0 3 181.283 2.031 10 0 AEAEHN CC(C)NCc1nc(C(C)(C)C)c[nH]1 37477456 572145167 /nfs/dbraw/zinc/14/51/67/572145167.db2.gz FEVLJJUQSUBDBS-UHFFFAOYSA-N 0 3 195.310 2.205 10 0 AEAEHN CS[C@H]1CCCC[C@H]1NCCF 300380064 572146462 /nfs/dbraw/zinc/14/64/62/572146462.db2.gz CQGSAEHBEMLZJS-BDAKNGLRSA-N 0 3 191.315 2.220 10 0 AEAEHN CC(C)CC[C@@H](O)c1cnccc1N 69844782 572149206 /nfs/dbraw/zinc/14/92/06/572149206.db2.gz OKZFJWXPDQGSSS-LLVKDONJSA-N 0 3 194.278 2.133 10 0 AEAEHN CCCCC[C@H](O)c1cnccc1N 69844427 572149225 /nfs/dbraw/zinc/14/92/25/572149225.db2.gz VVIOERVAZXNXSC-NSHDSACASA-N 0 3 194.278 2.278 10 0 AEAEHN CCC[C@H](C)[C@@H](O)c1cnccc1N 69844386 572148419 /nfs/dbraw/zinc/14/84/19/572148419.db2.gz YFMHWDLGDIMYJC-GZMMTYOYSA-N 0 3 194.278 2.133 10 0 AEAEHN CCC[C@@H](C)[C@@H](O)c1cnccc1N 69844384 572148461 /nfs/dbraw/zinc/14/84/61/572148461.db2.gz YFMHWDLGDIMYJC-LDYMZIIASA-N 0 3 194.278 2.133 10 0 AEAEHN CC[C@@H]1CSC(N[C@H](C)CC)=N1 35287138 572148547 /nfs/dbraw/zinc/14/85/47/572148547.db2.gz HNCWKDRIMSJVPJ-HTQZYQBOSA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@H]1CSC(N[C@H](C)CC)=N1 35287139 572148775 /nfs/dbraw/zinc/14/87/75/572148775.db2.gz HNCWKDRIMSJVPJ-SFYZADRCSA-N 0 3 186.324 2.256 10 0 AEAEHN CC(C)CC[C@H](O)c1cnccc1N 69844780 572149278 /nfs/dbraw/zinc/14/92/78/572149278.db2.gz OKZFJWXPDQGSSS-NSHDSACASA-N 0 3 194.278 2.133 10 0 AEAEHN CCC[C@H](C)[C@H](O)c1cnccc1N 69844382 572148906 /nfs/dbraw/zinc/14/89/06/572148906.db2.gz YFMHWDLGDIMYJC-KWQFWETISA-N 0 3 194.278 2.133 10 0 AEAEHN CCC(CC)[C@@H](O)c1cnccc1N 69843588 572149443 /nfs/dbraw/zinc/14/94/43/572149443.db2.gz BBFGOFZJJCROOB-LLVKDONJSA-N 0 3 194.278 2.133 10 0 AEAEHN CCCCC[C@@H](O)c1cnccc1N 69844429 572149784 /nfs/dbraw/zinc/14/97/84/572149784.db2.gz VVIOERVAZXNXSC-LLVKDONJSA-N 0 3 194.278 2.278 10 0 AEAEHN CCC[C@@H](C)[C@H](O)c1cnccc1N 69844380 572150366 /nfs/dbraw/zinc/15/03/66/572150366.db2.gz YFMHWDLGDIMYJC-KCJUWKMLSA-N 0 3 194.278 2.133 10 0 AEAEHN CCCCNC1=NC(C)(C)CS1 35294603 572151683 /nfs/dbraw/zinc/15/16/83/572151683.db2.gz DWCWHWMRZIQXOU-UHFFFAOYSA-N 0 3 186.324 2.258 10 0 AEAEHN CCS[C@@H]1CC[C@@H](NCCF)C1 300386812 572151082 /nfs/dbraw/zinc/15/10/82/572151082.db2.gz LTRAKJLTKHVEKE-RKDXNWHRSA-N 0 3 191.315 2.220 10 0 AEAEHN N[C@]12CCC[C@H]1c1ccccc1O2 35300354 572151118 /nfs/dbraw/zinc/15/11/18/572151118.db2.gz VFNIWQGDHPQBKQ-ONGXEEELSA-N 0 3 175.231 2.002 10 0 AEAEHN Cc1ccc(-n2cc(C)nc2N)cc1 235876070 572151243 /nfs/dbraw/zinc/15/12/43/572151243.db2.gz AOUDEVMXTRVJPG-UHFFFAOYSA-N 0 3 187.246 2.071 10 0 AEAEHN CCC(CC)NC1=NC[C@H](C)S1 35294222 572151400 /nfs/dbraw/zinc/15/14/00/572151400.db2.gz JHARWXQVGUDGQJ-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@@H]1CSC(NCC2CCC2)=N1 35295333 572151598 /nfs/dbraw/zinc/15/15/98/572151598.db2.gz HKVVGJXIDMLUSM-SECBINFHSA-N 0 3 198.335 2.258 10 0 AEAEHN CCC(CC)NC1=NC[C@@H](C)S1 35294223 572151653 /nfs/dbraw/zinc/15/16/53/572151653.db2.gz JHARWXQVGUDGQJ-SSDOTTSWSA-N 0 3 186.324 2.256 10 0 AEAEHN CC(C)c1c[nH]c(CNCC2CC2)n1 37478670 572151710 /nfs/dbraw/zinc/15/17/10/572151710.db2.gz VATDLURSVDFNDH-UHFFFAOYSA-N 0 3 193.294 2.033 10 0 AEAEHN CC[C@H]1CSC(NCC2CCC2)=N1 35295334 572151863 /nfs/dbraw/zinc/15/18/63/572151863.db2.gz HKVVGJXIDMLUSM-VIFPVBQESA-N 0 3 198.335 2.258 10 0 AEAEHN CCS[C@@H]1CC[C@H](NCCF)C1 300386810 572152105 /nfs/dbraw/zinc/15/21/05/572152105.db2.gz LTRAKJLTKHVEKE-DTWKUNHWSA-N 0 3 191.315 2.220 10 0 AEAEHN CC[C@@H](C)NCc1nc(C(C)C)c[nH]1 37480027 572152353 /nfs/dbraw/zinc/15/23/53/572152353.db2.gz ZVUHQLLYCSDQGM-SECBINFHSA-N 0 3 195.310 2.421 10 0 AEAEHN CC[C@H](C)NCc1nc(C(C)C)c[nH]1 37480028 572152475 /nfs/dbraw/zinc/15/24/75/572152475.db2.gz ZVUHQLLYCSDQGM-VIFPVBQESA-N 0 3 195.310 2.421 10 0 AEAEHN CC(C)CCNC1=N[C@H](C)CS1 35294711 572152745 /nfs/dbraw/zinc/15/27/45/572152745.db2.gz LMJANCDPDIMQNE-MRVPVSSYSA-N 0 3 186.324 2.113 10 0 AEAEHN CC(C)N(C)Cc1cc(F)ccc1N 35308397 572153343 /nfs/dbraw/zinc/15/33/43/572153343.db2.gz UKGZHXUONDLZQV-UHFFFAOYSA-N 0 3 196.269 2.248 10 0 AEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cc[nH]n1 300388986 572153584 /nfs/dbraw/zinc/15/35/84/572153584.db2.gz ROFGLNPHZYKHSP-FXPVBKGRSA-N 0 3 193.294 2.249 10 0 AEAEHN CN(CCNc1ccccc1)C1CC1 37483112 572154602 /nfs/dbraw/zinc/15/46/02/572154602.db2.gz JRJBANPPAMYUOJ-UHFFFAOYSA-N 0 3 190.290 2.193 10 0 AEAEHN CCCN(C)Cc1ccc(F)cc1N 82864505 572157385 /nfs/dbraw/zinc/15/73/85/572157385.db2.gz BIBLZSLFLSZXKB-UHFFFAOYSA-N 0 3 196.269 2.250 10 0 AEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cc[nH]n1 300388988 572157258 /nfs/dbraw/zinc/15/72/58/572157258.db2.gz ROFGLNPHZYKHSP-NGZCFLSTSA-N 0 3 193.294 2.249 10 0 AEAEHN CCN(CC)Cc1ccc(N)cc1F 82864717 572158034 /nfs/dbraw/zinc/15/80/34/572158034.db2.gz SYSUAFNSGOSAFX-UHFFFAOYSA-N 0 3 196.269 2.250 10 0 AEAEHN CN[C@H](C(=O)c1ccccc1)C(C)C 71505855 572157932 /nfs/dbraw/zinc/15/79/32/572157932.db2.gz ZMPYUFFANLMNOT-NSHDSACASA-N 0 3 191.274 2.113 10 0 AEAEHN CCc1ccc([C@H]2CN[C@H](C)O2)cc1 71505815 572158420 /nfs/dbraw/zinc/15/84/20/572158420.db2.gz VOPWFZMXXWXSKK-JOYOIKCWSA-N 0 3 191.274 2.256 10 0 AEAEHN CCc1ccc([C@@H]2CN[C@@H](C)O2)cc1 71505816 572158904 /nfs/dbraw/zinc/15/89/04/572158904.db2.gz VOPWFZMXXWXSKK-SKDRFNHKSA-N 0 3 191.274 2.256 10 0 AEAEHN CN[C@@H](C(=O)c1ccccc1)C(C)C 71505856 572158957 /nfs/dbraw/zinc/15/89/57/572158957.db2.gz ZMPYUFFANLMNOT-LLVKDONJSA-N 0 3 191.274 2.113 10 0 AEAEHN CCc1ccc([C@H]2CN[C@@H](C)O2)cc1 71505817 572159064 /nfs/dbraw/zinc/15/90/64/572159064.db2.gz VOPWFZMXXWXSKK-BXKDBHETSA-N 0 3 191.274 2.256 10 0 AEAEHN CCCN(C)Cc1ccc(N)cc1F 82864744 572159086 /nfs/dbraw/zinc/15/90/86/572159086.db2.gz QFKNBBLBYJFJCK-UHFFFAOYSA-N 0 3 196.269 2.250 10 0 AEAEHN CC[C@@H]1C[C@@H]1NCc1cncc(C)c1 300390278 572160040 /nfs/dbraw/zinc/16/00/40/572160040.db2.gz UDEXJFSEOXRQPS-NEPJUHHUSA-N 0 3 190.290 2.278 10 0 AEAEHN CC(C)n1ccc(CNC2CCC2)n1 82866425 572160126 /nfs/dbraw/zinc/16/01/26/572160126.db2.gz GORZBLYNAHSVPE-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN CCNCc1ccn(C(CC)CC)n1 82867300 572160633 /nfs/dbraw/zinc/16/06/33/572160633.db2.gz DNUCWXGDGMSPLZ-UHFFFAOYSA-N 0 3 195.310 2.354 10 0 AEAEHN Cc1ccc(CN)c(SC(C)C)n1 43396611 572160951 /nfs/dbraw/zinc/16/09/51/572160951.db2.gz MOKGSDABBUPHQS-UHFFFAOYSA-N 0 3 196.319 2.349 10 0 AEAEHN CC[C@@H](C)n1ccc(CNC(C)C)n1 82867295 572161671 /nfs/dbraw/zinc/16/16/71/572161671.db2.gz OKNYRFHRTXJBCB-SNVBAGLBSA-N 0 3 195.310 2.352 10 0 AEAEHN CCCNCc1ccn([C@@H](C)CC)n1 82867356 572161904 /nfs/dbraw/zinc/16/19/04/572161904.db2.gz DJPNOKPIXRBVMM-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCN[C@@H](CCCOC)c1ccoc1 69946936 572162563 /nfs/dbraw/zinc/16/25/63/572162563.db2.gz QKNRUPVULFHZPW-NSHDSACASA-N 0 3 197.278 2.357 10 0 AEAEHN CCN[C@H](CCOCC)c1ccoc1 69946880 572163155 /nfs/dbraw/zinc/16/31/55/572163155.db2.gz NEVWWCOWKYECIO-LLVKDONJSA-N 0 3 197.278 2.357 10 0 AEAEHN CCC[C@H](NC)c1cc(C)cnc1N 69943029 572164954 /nfs/dbraw/zinc/16/49/54/572164954.db2.gz REOLMESVXHWPQV-JTQLQIEISA-N 0 3 193.294 2.033 10 0 AEAEHN Nc1nc(-c2c[nH]c3ccccc23)c[nH]1 71507701 572165062 /nfs/dbraw/zinc/16/50/62/572165062.db2.gz KYNPUCTYPIZDQD-UHFFFAOYSA-N 0 3 198.229 2.140 10 0 AEAEHN CCCCCCNc1nccn1C 70020116 572166188 /nfs/dbraw/zinc/16/61/88/572166188.db2.gz YRAULYSMCFCNKJ-UHFFFAOYSA-N 0 3 181.283 2.412 10 0 AEAEHN CCCCCCC1=NO[C@@H](CN)C1 69978410 572166560 /nfs/dbraw/zinc/16/65/60/572166560.db2.gz IIRIPVSJMNNJRC-SNVBAGLBSA-N 0 3 184.283 2.060 10 0 AEAEHN CC[C@H](NCC[C@H](C)O)c1ccco1 82992679 572166794 /nfs/dbraw/zinc/16/67/94/572166794.db2.gz ZROHXWAHTDUHQB-UWVGGRQHSA-N 0 3 197.278 2.091 10 0 AEAEHN CC[C@H](NCC[C@@H](C)O)c1ccco1 82992675 572166806 /nfs/dbraw/zinc/16/68/06/572166806.db2.gz ZROHXWAHTDUHQB-ZJUUUORDSA-N 0 3 197.278 2.091 10 0 AEAEHN CC[C@@H](NCC[C@H](C)O)c1ccco1 82992680 572166975 /nfs/dbraw/zinc/16/69/75/572166975.db2.gz ZROHXWAHTDUHQB-VHSXEESVSA-N 0 3 197.278 2.091 10 0 AEAEHN CCCCCCC1=NO[C@H](CN)C1 69978406 572167135 /nfs/dbraw/zinc/16/71/35/572167135.db2.gz IIRIPVSJMNNJRC-JTQLQIEISA-N 0 3 184.283 2.060 10 0 AEAEHN CC(C)(C)CCC[C@@H]1CNCCC1=O 300959754 572167361 /nfs/dbraw/zinc/16/73/61/572167361.db2.gz YHFIUCNPGFVHSS-SNVBAGLBSA-N 0 3 197.322 2.381 10 0 AEAEHN CC[C@@H](NCC[C@@H](C)O)c1ccco1 82992677 572167764 /nfs/dbraw/zinc/16/77/64/572167764.db2.gz ZROHXWAHTDUHQB-NXEZZACHSA-N 0 3 197.278 2.091 10 0 AEAEHN CN[C@@H](CC1CC1)c1ccoc1 83000349 572168947 /nfs/dbraw/zinc/16/89/47/572168947.db2.gz UIAKLRAJJRAWIC-JTQLQIEISA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@@H](C)CN[C@@H](C)c1cnccn1 70025815 572168705 /nfs/dbraw/zinc/16/87/05/572168705.db2.gz RZDOSDATDYWANS-ZJUUUORDSA-N 0 3 193.294 2.173 10 0 AEAEHN CN[C@H](CC1CC1)c1ccccn1 82999962 572168740 /nfs/dbraw/zinc/16/87/40/572168740.db2.gz MRUQTLKRUOQDSJ-LLVKDONJSA-N 0 3 176.263 2.142 10 0 AEAEHN CN[C@@H](CC1CC1)c1cc(C)ccn1 83000320 572169034 /nfs/dbraw/zinc/16/90/34/572169034.db2.gz DSJRJXBLKPRRJO-NSHDSACASA-N 0 3 190.290 2.451 10 0 AEAEHN CC[C@@H](C)CN[C@H](C)c1cnccn1 70025819 572169363 /nfs/dbraw/zinc/16/93/63/572169363.db2.gz RZDOSDATDYWANS-NXEZZACHSA-N 0 3 193.294 2.173 10 0 AEAEHN CN[C@@H](CC1CC1)c1ncccc1C 83000126 572169615 /nfs/dbraw/zinc/16/96/15/572169615.db2.gz VLQWBQAYSNTRCC-NSHDSACASA-N 0 3 190.290 2.451 10 0 AEAEHN CN[C@H](CC1CC1)c1cccc(C)n1 83000292 572170104 /nfs/dbraw/zinc/17/01/04/572170104.db2.gz KOPZZPONKHDKTC-GFCCVEGCSA-N 0 3 190.290 2.451 10 0 AEAEHN CN[C@@H](CC1CC1)c1cccc(C)n1 83000293 572169739 /nfs/dbraw/zinc/16/97/39/572169739.db2.gz KOPZZPONKHDKTC-LBPRGKRZSA-N 0 3 190.290 2.451 10 0 AEAEHN CN[C@H](CC1CC1)c1cc(C)ccn1 83000319 572169786 /nfs/dbraw/zinc/16/97/86/572169786.db2.gz DSJRJXBLKPRRJO-LLVKDONJSA-N 0 3 190.290 2.451 10 0 AEAEHN CN[C@@H](CC1CC1)c1ccccn1 82999961 572170015 /nfs/dbraw/zinc/17/00/15/572170015.db2.gz MRUQTLKRUOQDSJ-NSHDSACASA-N 0 3 176.263 2.142 10 0 AEAEHN CN[C@H](CC1CC1)c1ncccc1C 83000125 572170228 /nfs/dbraw/zinc/17/02/28/572170228.db2.gz VLQWBQAYSNTRCC-LLVKDONJSA-N 0 3 190.290 2.451 10 0 AEAEHN CC[C@H](C)CN[C@H](C)c1cnccn1 70025821 572170462 /nfs/dbraw/zinc/17/04/62/572170462.db2.gz RZDOSDATDYWANS-VHSXEESVSA-N 0 3 193.294 2.173 10 0 AEAEHN CN[C@H](CC1CC1)c1ccoc1 83000350 572170476 /nfs/dbraw/zinc/17/04/76/572170476.db2.gz UIAKLRAJJRAWIC-SNVBAGLBSA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@H](C)CN[C@@H](C)c1cnccn1 70025817 572170596 /nfs/dbraw/zinc/17/05/96/572170596.db2.gz RZDOSDATDYWANS-UWVGGRQHSA-N 0 3 193.294 2.173 10 0 AEAEHN CCCN[C@H](CCO)c1ccc(C)o1 82918311 572173888 /nfs/dbraw/zinc/17/38/88/572173888.db2.gz ZEAQCMVYMKIGPB-SNVBAGLBSA-N 0 3 197.278 2.011 10 0 AEAEHN CCC(=O)CN(CC1CC1)CC1CC1 70064358 572174824 /nfs/dbraw/zinc/17/48/24/572174824.db2.gz HOCXDKTVZMRNJS-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CCCN[C@@H](CCO)c1ccc(C)o1 82918310 572175382 /nfs/dbraw/zinc/17/53/82/572175382.db2.gz ZEAQCMVYMKIGPB-JTQLQIEISA-N 0 3 197.278 2.011 10 0 AEAEHN CC(C)[C@H]1NC[C@H](c2cccs2)O1 71507551 572175949 /nfs/dbraw/zinc/17/59/49/572175949.db2.gz YZNYTARQSPVVRX-SCZZXKLOSA-N 0 3 197.303 2.391 10 0 AEAEHN CC(C)[C@@H]1NC[C@H](c2cccs2)O1 71507550 572176162 /nfs/dbraw/zinc/17/61/62/572176162.db2.gz YZNYTARQSPVVRX-PSASIEDQSA-N 0 3 197.303 2.391 10 0 AEAEHN CCCCNc1ccc(F)cc1CN 71507381 572176264 /nfs/dbraw/zinc/17/62/64/572176264.db2.gz JUVUGQDUZUTMNF-UHFFFAOYSA-N 0 3 196.269 2.496 10 0 AEAEHN C[C@H]1NC[C@@H](c2ccccc2Cl)O1 71507606 572176492 /nfs/dbraw/zinc/17/64/92/572176492.db2.gz IWAXCPRHTDVHHW-XVKPBYJWSA-N 0 3 197.665 2.347 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@@H]1c1cnsc1 712905070 572176869 /nfs/dbraw/zinc/17/68/69/572176869.db2.gz MZCQDZQFAOJGJT-DTWKUNHWSA-N 0 3 196.319 2.450 10 0 AEAEHN C[C@H]1NC[C@H](c2ccccc2Cl)O1 71507604 572177097 /nfs/dbraw/zinc/17/70/97/572177097.db2.gz IWAXCPRHTDVHHW-OIBJUYFYSA-N 0 3 197.665 2.347 10 0 AEAEHN CC[C@H](C)C[C@H](N)c1cc(C)n(C)n1 300960913 572177239 /nfs/dbraw/zinc/17/72/39/572177239.db2.gz VLLLGPJKHYIRQD-WPRPVWTQSA-N 0 3 195.310 2.165 10 0 AEAEHN CCCCNc1cccc(F)c1CN 71507367 572177520 /nfs/dbraw/zinc/17/75/20/572177520.db2.gz SDTQJNMFESBBIE-UHFFFAOYSA-N 0 3 196.269 2.496 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@H]1c1cnsc1 712905062 572178875 /nfs/dbraw/zinc/17/88/75/572178875.db2.gz MZCQDZQFAOJGJT-BDAKNGLRSA-N 0 3 196.319 2.450 10 0 AEAEHN C[C@@H]1NC[C@H](c2cccc(Cl)c2)O1 71507617 572177639 /nfs/dbraw/zinc/17/76/39/572177639.db2.gz YXVCLYYVIZZIGS-GMSGAONNSA-N 0 3 197.665 2.347 10 0 AEAEHN CC(C)N[C@H](c1cnco1)C(C)C 84337092 572177653 /nfs/dbraw/zinc/17/76/53/572177653.db2.gz IWAOMIMMPJJSMR-JTQLQIEISA-N 0 3 182.267 2.370 10 0 AEAEHN CC(C)=CCOc1ccccc1CN 37698962 572177723 /nfs/dbraw/zinc/17/77/23/572177723.db2.gz GDHMTAWKDNBGOJ-UHFFFAOYSA-N 0 3 191.274 2.490 10 0 AEAEHN CN[C@H](C(=O)c1cccs1)C(C)C 71507564 572178442 /nfs/dbraw/zinc/17/84/42/572178442.db2.gz VRLPBFHEHMSSAZ-VIFPVBQESA-N 0 3 197.303 2.175 10 0 AEAEHN CC[C@H](C)C[C@@H](N)c1cc(C)n(C)n1 300960912 572178527 /nfs/dbraw/zinc/17/85/27/572178527.db2.gz VLLLGPJKHYIRQD-WCBMZHEXSA-N 0 3 195.310 2.165 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@H]1c1cnsc1 712905072 572178738 /nfs/dbraw/zinc/17/87/38/572178738.db2.gz MZCQDZQFAOJGJT-IUCAKERBSA-N 0 3 196.319 2.450 10 0 AEAEHN CC[C@H]1CN=C(NCC2(C)CC2)S1 234073013 572178794 /nfs/dbraw/zinc/17/87/94/572178794.db2.gz VMMOKNNQRDZHQQ-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@@H]1c1cnsc1 712905075 572179027 /nfs/dbraw/zinc/17/90/27/572179027.db2.gz MZCQDZQFAOJGJT-RKDXNWHRSA-N 0 3 196.319 2.450 10 0 AEAEHN CCCN(CCC)[C@H](C)C(=O)CC 82946742 572180783 /nfs/dbraw/zinc/18/07/83/572180783.db2.gz ZFQKHQVXADSOJV-SNVBAGLBSA-N 0 3 185.311 2.476 10 0 AEAEHN CN[C@@H](c1c(C)noc1C)C(C)C 84337103 572179325 /nfs/dbraw/zinc/17/93/25/572179325.db2.gz OUUWMVNJAOECBP-SNVBAGLBSA-N 0 3 182.267 2.208 10 0 AEAEHN CCC(=O)[C@H](C)N(CC1CC1)C1CC1 82947858 572179378 /nfs/dbraw/zinc/17/93/78/572179378.db2.gz PJNKJXZXQCNHMQ-VIFPVBQESA-N 0 3 195.306 2.228 10 0 AEAEHN CCCCN(CC)[C@@H](C)C(=O)CC 82946663 572180804 /nfs/dbraw/zinc/18/08/04/572180804.db2.gz MFOVJTNGPBVHBJ-JTQLQIEISA-N 0 3 185.311 2.476 10 0 AEAEHN CCC(=O)[C@H](C)N(C)C[C@@H](C)CC 82946841 572179695 /nfs/dbraw/zinc/17/96/95/572179695.db2.gz PZTWBZSDLYJGQF-UWVGGRQHSA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(=O)[C@H](C)N(C)[C@@H](C)C(C)C 82946870 572179810 /nfs/dbraw/zinc/17/98/10/572179810.db2.gz UKNQJOYDQGWKEC-UWVGGRQHSA-N 0 3 185.311 2.330 10 0 AEAEHN c1nscc1[C@@H]1NC[C@@H]1C1CCC1 712905634 572179814 /nfs/dbraw/zinc/17/98/14/572179814.db2.gz QWARZUMPLKTTLE-ZJUUUORDSA-N 0 3 194.303 2.204 10 0 AEAEHN CCC(=O)[C@H](C)N(C)CCC(C)C 82946986 572179879 /nfs/dbraw/zinc/17/98/79/572179879.db2.gz MAAADDBSYFXQHV-JTQLQIEISA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(=O)[C@H](C)N(CC)CC(C)C 82946829 572179894 /nfs/dbraw/zinc/17/98/94/572179894.db2.gz KMZANTLMUKHZPO-JTQLQIEISA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(=O)[C@H](C)N(C)[C@H](C)CC 82946823 572179929 /nfs/dbraw/zinc/17/99/29/572179929.db2.gz LEYGREKIBSAHRI-BDAKNGLRSA-N 0 3 171.284 2.084 10 0 AEAEHN C[C@@H]1NC[C@@H](c2cccc(Cl)c2)O1 71507619 572179939 /nfs/dbraw/zinc/17/99/39/572179939.db2.gz YXVCLYYVIZZIGS-XCBNKYQSSA-N 0 3 197.665 2.347 10 0 AEAEHN CCC(=O)[C@@H](C)N(C)CC1CCC1 82947668 572179977 /nfs/dbraw/zinc/17/99/77/572179977.db2.gz JGOPDNRCQNVLBI-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)[C@H](C)N(CC)[C@H](C)CC 82946831 572179988 /nfs/dbraw/zinc/17/99/88/572179988.db2.gz DYYUKHRTFXGODF-ZJUUUORDSA-N 0 3 185.311 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N(C)CC(C)(C)C 82947195 572180210 /nfs/dbraw/zinc/18/02/10/572180210.db2.gz MLEJNUZXRWZOPN-VIFPVBQESA-N 0 3 185.311 2.332 10 0 AEAEHN C/C=C/COc1ccccc1CNC 37702428 572180244 /nfs/dbraw/zinc/18/02/44/572180244.db2.gz WARYAPHYUURTPJ-ONEGZZNKSA-N 0 3 191.274 2.361 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC(CC)CC1 82946972 572180258 /nfs/dbraw/zinc/18/02/58/572180258.db2.gz QJVFDNWLMIHZBS-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCC(CC)CC1 82946974 572180340 /nfs/dbraw/zinc/18/03/40/572180340.db2.gz QJVFDNWLMIHZBS-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)[C@H](C)N(C)C(C)(C)CC 82947815 572180361 /nfs/dbraw/zinc/18/03/61/572180361.db2.gz NYEGAYVTJZRWLW-VIFPVBQESA-N 0 3 185.311 2.474 10 0 AEAEHN CCC(=O)[C@@H](C)N(C)[C@@H](C)C1CC1 82946865 572180405 /nfs/dbraw/zinc/18/04/05/572180405.db2.gz QRFOXQMGXJZQMY-DTWKUNHWSA-N 0 3 183.295 2.084 10 0 AEAEHN Cc1ccc(F)c(OCCN(C)C)c1 82940199 572180408 /nfs/dbraw/zinc/18/04/08/572180408.db2.gz AHQMZYBKQUIPFV-UHFFFAOYSA-N 0 3 197.253 2.075 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](NC1CC1)CO2 35652659 572180410 /nfs/dbraw/zinc/18/04/10/572180410.db2.gz LLOLLPYKLNRFJI-NSHDSACASA-N 0 3 189.258 2.181 10 0 AEAEHN CCCN(CC)[C@@H](C)C(=O)CC 82946803 572180427 /nfs/dbraw/zinc/18/04/27/572180427.db2.gz UKYIDRPLUJKOOO-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(=O)[C@@H](C)N(CC1CC1)C(C)C 82947107 572180453 /nfs/dbraw/zinc/18/04/53/572180453.db2.gz DDZJNYCJBRLUQD-SNVBAGLBSA-N 0 3 197.322 2.474 10 0 AEAEHN CCCCCN(C)[C@H](C)C(=O)CC 82946837 572180468 /nfs/dbraw/zinc/18/04/68/572180468.db2.gz JQTBFOTXGJCEAT-SNVBAGLBSA-N 0 3 185.311 2.476 10 0 AEAEHN CCC(=O)[C@H](C)N(C)[C@@H](C)C1CC1 82946867 572180476 /nfs/dbraw/zinc/18/04/76/572180476.db2.gz QRFOXQMGXJZQMY-IUCAKERBSA-N 0 3 183.295 2.084 10 0 AEAEHN CCCN[C@@H]1COc2ccc(F)cc21 35652894 572180484 /nfs/dbraw/zinc/18/04/84/572180484.db2.gz DSZZALJDRIQPGN-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CCC(=O)[C@H](C)N(CC)C(C)C 82946793 572180509 /nfs/dbraw/zinc/18/05/09/572180509.db2.gz OYQLGZAKHNMIQF-VIFPVBQESA-N 0 3 171.284 2.084 10 0 AEAEHN CCCN(C1CC1)[C@H](C)C(=O)CC 82946813 572180516 /nfs/dbraw/zinc/18/05/16/572180516.db2.gz UOMVWWWRLCIIPV-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC[C@@H](CC)C1 82946888 572180587 /nfs/dbraw/zinc/18/05/87/572180587.db2.gz QCPOERDKABOAAJ-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)[C@H](C)N(C)CC1CCC1 82947670 572180633 /nfs/dbraw/zinc/18/06/33/572180633.db2.gz JGOPDNRCQNVLBI-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CCCN[C@@H]1COc2ccccc21 35652710 572180730 /nfs/dbraw/zinc/18/07/30/572180730.db2.gz BIZCDZMUDORHKH-SNVBAGLBSA-N 0 3 177.247 2.120 10 0 AEAEHN CCC(=O)[C@@H](C)N(CC)CC(C)C 82946827 572180751 /nfs/dbraw/zinc/18/07/51/572180751.db2.gz KMZANTLMUKHZPO-SNVBAGLBSA-N 0 3 185.311 2.332 10 0 AEAEHN Cc1cccc2c1OC[C@@H]2NC1CC1 35652688 572180909 /nfs/dbraw/zinc/18/09/09/572180909.db2.gz CMFOUBHWVOBZCS-NSHDSACASA-N 0 3 189.258 2.181 10 0 AEAEHN CCCN(C1CC1)[C@@H](C)C(=O)CC 82946811 572180946 /nfs/dbraw/zinc/18/09/46/572180946.db2.gz UOMVWWWRLCIIPV-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CC(C)N[C@H]1COc2c(F)cccc21 35652603 572180982 /nfs/dbraw/zinc/18/09/82/572180982.db2.gz MPGUWQDQGYHOFK-JTQLQIEISA-N 0 3 195.237 2.257 10 0 AEAEHN CCC(=O)[C@@H](C)N(CC(C)C)C1CC1 82947095 572181325 /nfs/dbraw/zinc/18/13/25/572181325.db2.gz KDQLLXQCBINVDT-SNVBAGLBSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@@H](C)N(C)C1CCCC1 82946799 572181093 /nfs/dbraw/zinc/18/10/93/572181093.db2.gz QTQKUUCGJNPFOU-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC(=O)[C@H](C)N(C)[C@@H](C)CC 82946825 572181101 /nfs/dbraw/zinc/18/11/01/572181101.db2.gz LEYGREKIBSAHRI-IUCAKERBSA-N 0 3 171.284 2.084 10 0 AEAEHN CCCN(CC)[C@H](C)C(=O)CC 82946805 572181215 /nfs/dbraw/zinc/18/12/15/572181215.db2.gz UKYIDRPLUJKOOO-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(=O)[C@@H](C)N(C)CCC(C)C 82946984 572181237 /nfs/dbraw/zinc/18/12/37/572181237.db2.gz MAAADDBSYFXQHV-SNVBAGLBSA-N 0 3 185.311 2.332 10 0 AEAEHN 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185.311 2.330 10 0 AEAEHN CCc1cccc2c1OCC[C@H]2NC 35657698 572181809 /nfs/dbraw/zinc/18/18/09/572181809.db2.gz OCRQMWBTJITZAL-LLVKDONJSA-N 0 3 191.274 2.292 10 0 AEAEHN CCC(=O)[C@H](C)N(CC1CC1)C(C)C 82947110 572181922 /nfs/dbraw/zinc/18/19/22/572181922.db2.gz DDZJNYCJBRLUQD-JTQLQIEISA-N 0 3 197.322 2.474 10 0 AEAEHN CCCCN(CC)[C@H](C)C(=O)CC 82946664 572182015 /nfs/dbraw/zinc/18/20/15/572182015.db2.gz MFOVJTNGPBVHBJ-SNVBAGLBSA-N 0 3 185.311 2.476 10 0 AEAEHN CCCCN(C)[C@H](C)C(=O)CC 82946651 572182026 /nfs/dbraw/zinc/18/20/26/572182026.db2.gz NOYGDUYYFCGDEG-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(=O)[C@@H](C)N(CC1CC1)C1CC1 82947856 572182060 /nfs/dbraw/zinc/18/20/60/572182060.db2.gz PJNKJXZXQCNHMQ-SECBINFHSA-N 0 3 195.306 2.228 10 0 AEAEHN Cc1c[nH]c(N[C@H]2CC[C@H](C)C2)n1 235654417 572182144 /nfs/dbraw/zinc/18/21/44/572182144.db2.gz YPOGYNBDJBICJQ-CBAPKCEASA-N 0 3 179.267 2.319 10 0 AEAEHN CCCCN(C)[C@@H](C)C(=O)CC 82946649 572182372 /nfs/dbraw/zinc/18/23/72/572182372.db2.gz 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185.292 2.045 10 0 AEAEHN CCCOC[C@@H](N)c1ccsc1 83451692 572220536 /nfs/dbraw/zinc/22/05/36/572220536.db2.gz TVQDBMLGMPSRKU-SECBINFHSA-N 0 3 185.292 2.175 10 0 AEAEHN CC[C@@](N)(COC)c1csc(C)c1 83449610 572220539 /nfs/dbraw/zinc/22/05/39/572220539.db2.gz XCDCKBQYBNYWDG-SNVBAGLBSA-N 0 3 199.319 2.267 10 0 AEAEHN CC(C)C[C@H](C)C[C@H](F)CN 300982570 572220568 /nfs/dbraw/zinc/22/05/68/572220568.db2.gz ULJUIPFZPXBWDX-IUCAKERBSA-N 0 3 161.264 2.356 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1csc(C)c1 83452443 572220577 /nfs/dbraw/zinc/22/05/77/572220577.db2.gz LWWQNNZCNPJMOY-SCZZXKLOSA-N 0 3 199.319 2.481 10 0 AEAEHN CCCOC[C@@H](N)c1csc(C)c1 83451697 572220634 /nfs/dbraw/zinc/22/06/34/572220634.db2.gz DGPMRWRIZFSBIL-SNVBAGLBSA-N 0 3 199.319 2.483 10 0 AEAEHN CCN[C@H](COC)c1ccsc1 83451556 572220659 /nfs/dbraw/zinc/22/06/59/572220659.db2.gz BQQPNEJZXXKSOC-SECBINFHSA-N 0 3 185.292 2.045 10 0 AEAEHN CCO[C@@H](C)[C@@H](NC)c1ccsc1 83452457 572220709 /nfs/dbraw/zinc/22/07/09/572220709.db2.gz KBZZIZVLAKMCTG-WCBMZHEXSA-N 0 3 199.319 2.434 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1csc(C)c1 83452446 572220769 /nfs/dbraw/zinc/22/07/69/572220769.db2.gz LWWQNNZCNPJMOY-PSASIEDQSA-N 0 3 199.319 2.481 10 0 AEAEHN CCCOC[C@H](N)c1csc(C)c1 83451694 572220832 /nfs/dbraw/zinc/22/08/32/572220832.db2.gz DGPMRWRIZFSBIL-JTQLQIEISA-N 0 3 199.319 2.483 10 0 AEAEHN CC[C@](N)(COC)c1csc(C)c1 83449614 572220910 /nfs/dbraw/zinc/22/09/10/572220910.db2.gz XCDCKBQYBNYWDG-JTQLQIEISA-N 0 3 199.319 2.267 10 0 AEAEHN C[C@H](NCc1cnoc1)C1CCCC1 69805099 572220967 /nfs/dbraw/zinc/22/09/67/572220967.db2.gz CKBCDJDNOJADDL-VIFPVBQESA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@@H](NCC(C)(C)O)c1ccco1 83461078 572220993 /nfs/dbraw/zinc/22/09/93/572220993.db2.gz BWABSCSUWCFEKN-SECBINFHSA-N 0 3 197.278 2.091 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1ccsc1 83452427 572221021 /nfs/dbraw/zinc/22/10/21/572221021.db2.gz HZHFBYTYPQPWAZ-CBAPKCEASA-N 0 3 185.292 2.173 10 0 AEAEHN CCCOC[C@@H](NC)c1ccsc1 83451701 572221172 /nfs/dbraw/zinc/22/11/72/572221172.db2.gz GYEWTUKKYAMZCS-SNVBAGLBSA-N 0 3 199.319 2.435 10 0 AEAEHN CCCOC[C@H](N)c1ccsc1 83451691 572221263 /nfs/dbraw/zinc/22/12/63/572221263.db2.gz TVQDBMLGMPSRKU-VIFPVBQESA-N 0 3 185.292 2.175 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1csc(C)c1 83452444 572221517 /nfs/dbraw/zinc/22/15/17/572221517.db2.gz LWWQNNZCNPJMOY-WCBMZHEXSA-N 0 3 199.319 2.481 10 0 AEAEHN CCOc1cccc(Cl)c1CN 20469926 572221530 /nfs/dbraw/zinc/22/15/30/572221530.db2.gz LHXSMCYMHLUFOG-UHFFFAOYSA-N 0 3 185.654 2.197 10 0 AEAEHN CCO[C@H](C)[C@@H](NC)c1ccsc1 83452461 572221555 /nfs/dbraw/zinc/22/15/55/572221555.db2.gz KBZZIZVLAKMCTG-PSASIEDQSA-N 0 3 199.319 2.434 10 0 AEAEHN CC[C@H](NCC(C)(C)O)c1ccco1 83461075 572221584 /nfs/dbraw/zinc/22/15/84/572221584.db2.gz BWABSCSUWCFEKN-VIFPVBQESA-N 0 3 197.278 2.091 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1ccsc1 83452438 572221766 /nfs/dbraw/zinc/22/17/66/572221766.db2.gz HZHFBYTYPQPWAZ-VXNVDRBHSA-N 0 3 185.292 2.173 10 0 AEAEHN CC[C@H]1C[C@@H]1NC/C=C/Cl 234106588 572221785 /nfs/dbraw/zinc/22/17/85/572221785.db2.gz CPEZQRBBOFEGOA-HENSLRDNSA-N 0 3 159.660 2.127 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1csc(C)c1 83452441 572221877 /nfs/dbraw/zinc/22/18/77/572221877.db2.gz LWWQNNZCNPJMOY-WPRPVWTQSA-N 0 3 199.319 2.481 10 0 AEAEHN CCCCCC[C@@H]1CNC[C@H](C)O1 83471655 572223786 /nfs/dbraw/zinc/22/37/86/572223786.db2.gz WXJKKVOXNAXIGM-WDEREUQCSA-N 0 3 185.311 2.334 10 0 AEAEHN CCC(N)(CC)c1ncc(C)s1 36761695 572222246 /nfs/dbraw/zinc/22/22/46/572222246.db2.gz BDCBTOVXEMBWAN-UHFFFAOYSA-N 0 3 184.308 2.426 10 0 AEAEHN CCCCC[C@H]1CNC[C@H](CC)O1 83472606 572223822 /nfs/dbraw/zinc/22/38/22/572223822.db2.gz SZLWFPWEBJHOLX-QWRGUYRKSA-N 0 3 185.311 2.334 10 0 AEAEHN CC(C)C[C@@H](C)C[C@@H](F)CN 300982574 572222546 /nfs/dbraw/zinc/22/25/46/572222546.db2.gz ULJUIPFZPXBWDX-RKDXNWHRSA-N 0 3 161.264 2.356 10 0 AEAEHN C[C@@H](NCc1cnoc1)C1CCCC1 69805101 572222860 /nfs/dbraw/zinc/22/28/60/572222860.db2.gz CKBCDJDNOJADDL-SECBINFHSA-N 0 3 194.278 2.343 10 0 AEAEHN CCC(CC)[C@@H]1CNC[C@H](CC)O1 83472505 572223843 /nfs/dbraw/zinc/22/38/43/572223843.db2.gz IUXJNXSBHFIABS-QWRGUYRKSA-N 0 3 185.311 2.190 10 0 AEAEHN CCCCC[C@H]1CNCC(C)(C)O1 83473106 572223050 /nfs/dbraw/zinc/22/30/50/572223050.db2.gz BPMHHOHDCDLVSJ-JTQLQIEISA-N 0 3 185.311 2.334 10 0 AEAEHN CC(C)C[C@@H](C)C[C@H](F)CN 300982562 572223132 /nfs/dbraw/zinc/22/31/32/572223132.db2.gz ULJUIPFZPXBWDX-BDAKNGLRSA-N 0 3 161.264 2.356 10 0 AEAEHN CCCCCC[C@H]1CNC[C@H](C)O1 83471658 572223306 /nfs/dbraw/zinc/22/33/06/572223306.db2.gz WXJKKVOXNAXIGM-QWRGUYRKSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC1(CCC)CNC[C@@H](C)O1 83472067 572223422 /nfs/dbraw/zinc/22/34/22/572223422.db2.gz PZDMJCRDDIPGEZ-SNVBAGLBSA-N 0 3 185.311 2.334 10 0 AEAEHN CCC(CC)[C@@H]1CNC[C@@H](CC)O1 83472502 572223468 /nfs/dbraw/zinc/22/34/68/572223468.db2.gz IUXJNXSBHFIABS-MNOVXSKESA-N 0 3 185.311 2.190 10 0 AEAEHN CCC[C@H](C)[C@H]1CNC[C@H](CC)O1 83472622 572223488 /nfs/dbraw/zinc/22/34/88/572223488.db2.gz VKUKMIMVBLQWDD-GARJFASQSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H](C)C[C@@]1(CC)CNCCO1 83471092 572223503 /nfs/dbraw/zinc/22/35/03/572223503.db2.gz PVUIQVIUSAVWKV-MNOVXSKESA-N 0 3 185.311 2.191 10 0 AEAEHN CCC(O)(CC)CNc1ccncc1 83466692 572223569 /nfs/dbraw/zinc/22/35/69/572223569.db2.gz SRXKBOREJFEJAU-UHFFFAOYSA-N 0 3 194.278 2.045 10 0 AEAEHN CC[C@H](C)C[C@@]1(CC)CNCCO1 83471098 572223575 /nfs/dbraw/zinc/22/35/75/572223575.db2.gz PVUIQVIUSAVWKV-QWRGUYRKSA-N 0 3 185.311 2.191 10 0 AEAEHN CCC[C@H](C)[C@@H]1CNC[C@H](CC)O1 83472619 572223578 /nfs/dbraw/zinc/22/35/78/572223578.db2.gz VKUKMIMVBLQWDD-DCAQKATOSA-N 0 3 185.311 2.190 10 0 AEAEHN CCCCC[C@H]1CNC[C@@H](CC)O1 83472609 572223615 /nfs/dbraw/zinc/22/36/15/572223615.db2.gz SZLWFPWEBJHOLX-MNOVXSKESA-N 0 3 185.311 2.334 10 0 AEAEHN CC[C@@H](C)C[C@]1(CC)CNCCO1 83471089 572223630 /nfs/dbraw/zinc/22/36/30/572223630.db2.gz PVUIQVIUSAVWKV-GHMZBOCLSA-N 0 3 185.311 2.191 10 0 AEAEHN CCC(CC)[C@H]1CNC[C@H](CC)O1 83472501 572223780 /nfs/dbraw/zinc/22/37/80/572223780.db2.gz IUXJNXSBHFIABS-WDEREUQCSA-N 0 3 185.311 2.190 10 0 AEAEHN CCCCCC[C@]1(C)CNCCO1 83471324 572223640 /nfs/dbraw/zinc/22/36/40/572223640.db2.gz YDSGLBDPWUDLRK-LLVKDONJSA-N 0 3 185.311 2.335 10 0 AEAEHN CCCC[C@]1(CC)CNC[C@H](C)O1 83472012 572223699 /nfs/dbraw/zinc/22/36/99/572223699.db2.gz LKEGCKYCYMCLDG-WDEREUQCSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCCC[C@@H]1CNC[C@H](CC)O1 83472604 572224201 /nfs/dbraw/zinc/22/42/01/572224201.db2.gz SZLWFPWEBJHOLX-WDEREUQCSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC[C@@]1(CC)CNC[C@H](C)O1 83472014 572224214 /nfs/dbraw/zinc/22/42/14/572224214.db2.gz LKEGCKYCYMCLDG-QWRGUYRKSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCCC[C@@H]1CNC[C@@H](CC)O1 83472608 572224238 /nfs/dbraw/zinc/22/42/38/572224238.db2.gz SZLWFPWEBJHOLX-GHMZBOCLSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC1(CCC)CNC[C@H](C)O1 83472066 572224286 /nfs/dbraw/zinc/22/42/86/572224286.db2.gz PZDMJCRDDIPGEZ-JTQLQIEISA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC[C@]1(CC)CNC[C@@H](C)O1 83472016 572224326 /nfs/dbraw/zinc/22/43/26/572224326.db2.gz LKEGCKYCYMCLDG-GHMZBOCLSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCCCC[C@@]1(C)CNCCO1 83471325 572224390 /nfs/dbraw/zinc/22/43/90/572224390.db2.gz YDSGLBDPWUDLRK-NSHDSACASA-N 0 3 185.311 2.335 10 0 AEAEHN CCCCC[C@@H]1CNCC(C)(C)O1 83473099 572224426 /nfs/dbraw/zinc/22/44/26/572224426.db2.gz BPMHHOHDCDLVSJ-SNVBAGLBSA-N 0 3 185.311 2.334 10 0 AEAEHN C[C@@H](NC[C@H]1CC1(C)C)c1cc[nH]n1 235199906 572224626 /nfs/dbraw/zinc/22/46/26/572224626.db2.gz HZTVGEQVJTUXOI-RKDXNWHRSA-N 0 3 193.294 2.106 10 0 AEAEHN CCCCCC[C@@H]1CNC[C@@H](C)O1 83471660 572224643 /nfs/dbraw/zinc/22/46/43/572224643.db2.gz WXJKKVOXNAXIGM-GHMZBOCLSA-N 0 3 185.311 2.334 10 0 AEAEHN CCC(CC)[C@H]1CNC[C@@H](CC)O1 83472498 572224801 /nfs/dbraw/zinc/22/48/01/572224801.db2.gz IUXJNXSBHFIABS-GHMZBOCLSA-N 0 3 185.311 2.190 10 0 AEAEHN CCCCCC[C@H]1CNC[C@@H](C)O1 83471662 572224820 /nfs/dbraw/zinc/22/48/20/572224820.db2.gz WXJKKVOXNAXIGM-MNOVXSKESA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC[C@@]1(CC)CNC[C@@H](C)O1 83472019 572224825 /nfs/dbraw/zinc/22/48/25/572224825.db2.gz LKEGCKYCYMCLDG-MNOVXSKESA-N 0 3 185.311 2.334 10 0 AEAEHN CCSC[C@@H](NC)c1ccco1 83485374 572227278 /nfs/dbraw/zinc/22/72/78/572227278.db2.gz PMZVRZWSYDPAFT-MRVPVSSYSA-N 0 3 185.292 2.293 10 0 AEAEHN CCCSC[C@H](N)c1ccoc1 83487361 572225728 /nfs/dbraw/zinc/22/57/28/572225728.db2.gz NIDXBAHFBMESBK-VIFPVBQESA-N 0 3 185.292 2.423 10 0 AEAEHN CCCSC[C@H](N)c1cccnc1 83487391 572225783 /nfs/dbraw/zinc/22/57/83/572225783.db2.gz AZXIFACZRQCDDK-JTQLQIEISA-N 0 3 196.319 2.225 10 0 AEAEHN c1cc(CNc2ccncc2)ccn1 20544812 572225799 /nfs/dbraw/zinc/22/57/99/572225799.db2.gz SZAWVFCJVUAWGB-UHFFFAOYSA-N 0 3 185.230 2.089 10 0 AEAEHN CCSC[C@@H](NC)c1ccoc1 83485566 572226200 /nfs/dbraw/zinc/22/62/00/572226200.db2.gz RHQTWOVJYNDTHC-SECBINFHSA-N 0 3 185.292 2.293 10 0 AEAEHN CCSC[C@@H](NC)c1cccnc1 83485596 572226367 /nfs/dbraw/zinc/22/63/67/572226367.db2.gz BVIMCMVLNGWDRL-SNVBAGLBSA-N 0 3 196.319 2.095 10 0 AEAEHN CCSC[C@H](NC)c1ccco1 83485373 572226379 /nfs/dbraw/zinc/22/63/79/572226379.db2.gz PMZVRZWSYDPAFT-QMMMGPOBSA-N 0 3 185.292 2.293 10 0 AEAEHN CCCSC[C@@H](N)c1cccnc1 83487392 572226468 /nfs/dbraw/zinc/22/64/68/572226468.db2.gz AZXIFACZRQCDDK-SNVBAGLBSA-N 0 3 196.319 2.225 10 0 AEAEHN CCCSC[C@@H](N)c1ccoc1 83487362 572226633 /nfs/dbraw/zinc/22/66/33/572226633.db2.gz NIDXBAHFBMESBK-SECBINFHSA-N 0 3 185.292 2.423 10 0 AEAEHN CCSC[C@H](NC)c1cccnc1 83485595 572226928 /nfs/dbraw/zinc/22/69/28/572226928.db2.gz BVIMCMVLNGWDRL-JTQLQIEISA-N 0 3 196.319 2.095 10 0 AEAEHN Cc1ccc2c(c1)nc(N)n2C1CC1 36899200 572226957 /nfs/dbraw/zinc/22/69/57/572226957.db2.gz OMNOCQBGMJWINY-UHFFFAOYSA-N 0 3 187.246 2.262 10 0 AEAEHN CC(C)c1c[nH]c([C@@H](N)C(C)C)n1 36877192 572227411 /nfs/dbraw/zinc/22/74/11/572227411.db2.gz ANUXQKXGSYHSBC-VIFPVBQESA-N 0 3 181.283 2.189 10 0 AEAEHN N[C@@H](CC[C@H]1CCCO1)c1ccco1 83523425 572227810 /nfs/dbraw/zinc/22/78/10/572227810.db2.gz PSCHUYKRWUEISY-ZJUUUORDSA-N 0 3 195.262 2.239 10 0 AEAEHN N[C@H](CC[C@@H]1CCCO1)c1ccco1 83523422 572227886 /nfs/dbraw/zinc/22/78/86/572227886.db2.gz PSCHUYKRWUEISY-VHSXEESVSA-N 0 3 195.262 2.239 10 0 AEAEHN N[C@@H](CC[C@@H]1CCCO1)c1ccco1 83523423 572228491 /nfs/dbraw/zinc/22/84/91/572228491.db2.gz PSCHUYKRWUEISY-UWVGGRQHSA-N 0 3 195.262 2.239 10 0 AEAEHN CC(C)[C@H](N)c1nc(C(C)(C)C)c[nH]1 36877169 572228868 /nfs/dbraw/zinc/22/88/68/572228868.db2.gz KWEBPMHZXIFPTR-VIFPVBQESA-N 0 3 195.310 2.363 10 0 AEAEHN CC1CCC(NC2=NCCS2)CC1 20586471 572229093 /nfs/dbraw/zinc/22/90/93/572229093.db2.gz MYZXSAYVHWBGBY-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN N[C@H](CC[C@H]1CCCO1)c1ccco1 83523424 572229427 /nfs/dbraw/zinc/22/94/27/572229427.db2.gz PSCHUYKRWUEISY-NXEZZACHSA-N 0 3 195.262 2.239 10 0 AEAEHN CC(C)[C@@H](N)c1nc(C(C)(C)C)c[nH]1 36877170 572229630 /nfs/dbraw/zinc/22/96/30/572229630.db2.gz KWEBPMHZXIFPTR-SECBINFHSA-N 0 3 195.310 2.363 10 0 AEAEHN N[C@H](CC[C@H]1CCCO1)c1ccoc1 83529835 572230797 /nfs/dbraw/zinc/23/07/97/572230797.db2.gz BMNVXOPSTKXNGH-GHMZBOCLSA-N 0 3 195.262 2.239 10 0 AEAEHN CC(C)CC[C@@H](N)c1cnccc1N 69845476 572230994 /nfs/dbraw/zinc/23/09/94/572230994.db2.gz ZFWAPKUMFHCQKU-SNVBAGLBSA-N 0 3 193.294 2.100 10 0 AEAEHN CC(C)C[C@@H](C)COC1(C)CNC1 300995099 572231166 /nfs/dbraw/zinc/23/11/66/572231166.db2.gz WFOZDKBEFLZELR-SNVBAGLBSA-N 0 3 185.311 2.047 10 0 AEAEHN N[C@@H](CC[C@@H]1CCCO1)c1ccoc1 83529834 572231167 /nfs/dbraw/zinc/23/11/67/572231167.db2.gz BMNVXOPSTKXNGH-QWRGUYRKSA-N 0 3 195.262 2.239 10 0 AEAEHN CC(C)C[C@H](C)COC1(C)CNC1 300995097 572231170 /nfs/dbraw/zinc/23/11/70/572231170.db2.gz WFOZDKBEFLZELR-JTQLQIEISA-N 0 3 185.311 2.047 10 0 AEAEHN N[C@@H](CC[C@H]1CCCO1)c1ccoc1 83529836 572231707 /nfs/dbraw/zinc/23/17/07/572231707.db2.gz BMNVXOPSTKXNGH-MNOVXSKESA-N 0 3 195.262 2.239 10 0 AEAEHN CC(C)C(C)(C)Cn1ccc(CN)n1 713237097 572232697 /nfs/dbraw/zinc/23/26/97/572232697.db2.gz ZDRYUEVZEGIQBE-UHFFFAOYSA-N 0 3 195.310 2.024 10 0 AEAEHN CC(C)C[C@@H](C)CC(=O)C(C)(C)N 300994203 572233267 /nfs/dbraw/zinc/23/32/67/572233267.db2.gz WCCYKNSVCQMSAY-SECBINFHSA-N 0 3 185.311 2.365 10 0 AEAEHN CC(C)CC[C@H](N)c1cnccc1N 69845474 572233294 /nfs/dbraw/zinc/23/32/94/572233294.db2.gz ZFWAPKUMFHCQKU-JTQLQIEISA-N 0 3 193.294 2.100 10 0 AEAEHN CC(C)C[C@H](C)CC(=O)C(C)(C)N 300994205 572233428 /nfs/dbraw/zinc/23/34/28/572233428.db2.gz WCCYKNSVCQMSAY-VIFPVBQESA-N 0 3 185.311 2.365 10 0 AEAEHN CCCCCC[C@@H](N)c1ccncn1 70534007 572234610 /nfs/dbraw/zinc/23/46/10/572234610.db2.gz ZHNUHPNAKZAYQP-SNVBAGLBSA-N 0 3 193.294 2.447 10 0 AEAEHN CCCCCC[C@H](N)c1ccncn1 70534006 572235173 /nfs/dbraw/zinc/23/51/73/572235173.db2.gz ZHNUHPNAKZAYQP-JTQLQIEISA-N 0 3 193.294 2.447 10 0 AEAEHN C[C@@H]1CCC[C@@H](CCNC2COC2)C1 70532479 572235307 /nfs/dbraw/zinc/23/53/07/572235307.db2.gz YRPHUDPVKJJHBP-MNOVXSKESA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@@H]1CCC[C@H](CCNC2COC2)C1 70532477 572235760 /nfs/dbraw/zinc/23/57/60/572235760.db2.gz YRPHUDPVKJJHBP-GHMZBOCLSA-N 0 3 197.322 2.191 10 0 AEAEHN CC1CCC(CCNC2COC2)CC1 70532613 572235835 /nfs/dbraw/zinc/23/58/35/572235835.db2.gz JKXLZHPBQHKBMY-UHFFFAOYSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@H]1CCC[C@@H](CCNC2COC2)C1 70532480 572236004 /nfs/dbraw/zinc/23/60/04/572236004.db2.gz YRPHUDPVKJJHBP-QWRGUYRKSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@H]1CCC[C@H](CCNC2COC2)C1 70532478 572236275 /nfs/dbraw/zinc/23/62/75/572236275.db2.gz YRPHUDPVKJJHBP-WDEREUQCSA-N 0 3 197.322 2.191 10 0 AEAEHN CN[C@@H](CCC(C)C)c1cn(C)cn1 234394351 572237280 /nfs/dbraw/zinc/23/72/80/572237280.db2.gz DWCQHBPTWJWIJP-JTQLQIEISA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H](C)Nc1ccncc1 21048771 572237462 /nfs/dbraw/zinc/23/74/62/572237462.db2.gz BPMMQVWLCNLQRL-MRVPVSSYSA-N 0 3 150.225 2.292 10 0 AEAEHN CCCCCN[C@@H](C)c1cc[nH]n1 37906363 572238001 /nfs/dbraw/zinc/23/80/01/572238001.db2.gz ZCIMQZHODAHNPN-VIFPVBQESA-N 0 3 181.283 2.251 10 0 AEAEHN CC(C)[C@H](C)N[C@@H](C)c1cc[nH]n1 37907044 572238538 /nfs/dbraw/zinc/23/85/38/572238538.db2.gz NCWOSVHUYGPCKM-IUCAKERBSA-N 0 3 181.283 2.105 10 0 AEAEHN CC(C)[C@H](C)N[C@H](C)c1cc[nH]n1 37907046 572238898 /nfs/dbraw/zinc/23/88/98/572238898.db2.gz NCWOSVHUYGPCKM-DTWKUNHWSA-N 0 3 181.283 2.105 10 0 AEAEHN CC(C)[C@@H](C)N[C@@H](C)c1cc[nH]n1 37907043 572238963 /nfs/dbraw/zinc/23/89/63/572238963.db2.gz NCWOSVHUYGPCKM-BDAKNGLRSA-N 0 3 181.283 2.105 10 0 AEAEHN CC(C)[C@@H](C)N[C@H](C)c1cc[nH]n1 37907045 572239073 /nfs/dbraw/zinc/23/90/73/572239073.db2.gz NCWOSVHUYGPCKM-RKDXNWHRSA-N 0 3 181.283 2.105 10 0 AEAEHN CCCNCc1nc(C(C)(C)C)c[nH]1 44651949 572242237 /nfs/dbraw/zinc/24/22/37/572242237.db2.gz IJRITNNQLHLXDE-UHFFFAOYSA-N 0 3 195.310 2.207 10 0 AEAEHN CCCNCc1nc(C(C)C)c[nH]1 44651975 572242968 /nfs/dbraw/zinc/24/29/68/572242968.db2.gz QFLNPGWSVFOZGG-UHFFFAOYSA-N 0 3 181.283 2.033 10 0 AEAEHN CNc1nccn1[C@H](C)C(C)C 687714444 572245051 /nfs/dbraw/zinc/24/50/51/572245051.db2.gz DYDIUAHTPZWVJM-MRVPVSSYSA-N 0 3 167.256 2.142 10 0 AEAEHN CNc1nccn1[C@@H](C)C(C)C 687714445 572245705 /nfs/dbraw/zinc/24/57/05/572245705.db2.gz DYDIUAHTPZWVJM-QMMMGPOBSA-N 0 3 167.256 2.142 10 0 AEAEHN CCC[C@@H](CC)N1CCC(=O)[C@H](C)C1 50404894 572250928 /nfs/dbraw/zinc/25/09/28/572250928.db2.gz KCXGYARWURAELB-GHMZBOCLSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 50179976 572251988 /nfs/dbraw/zinc/25/19/88/572251988.db2.gz CXYHBHNAONPTGJ-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC[C@H](CC)N1CCC(=O)[C@H](C)C1 50404896 572251974 /nfs/dbraw/zinc/25/19/74/572251974.db2.gz KCXGYARWURAELB-MNOVXSKESA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)CN(C)[C@H]1CCC[C@H](C)C1 50179977 572252712 /nfs/dbraw/zinc/25/27/12/572252712.db2.gz CXYHBHNAONPTGJ-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN CCN(C/C=C/Cl)[C@@H](C)COC 307975035 572326282 /nfs/dbraw/zinc/32/62/82/572326282.db2.gz KEECHRRKVFGXNR-CYNONHLPSA-N 0 3 191.702 2.096 10 0 AEAEHN CC[C@@H](C)CC1(O)CCN(CC)CC1 83503541 572327203 /nfs/dbraw/zinc/32/72/03/572327203.db2.gz PQVISPGHAIWTMJ-LLVKDONJSA-N 0 3 199.338 2.269 10 0 AEAEHN CCSCCN1CC[C@](C)(F)C1 307976553 572328282 /nfs/dbraw/zinc/32/82/82/572328282.db2.gz LQAGOQXEKGIOJE-VIFPVBQESA-N 0 3 191.315 2.173 10 0 AEAEHN Cc1ncc(CN)n1CCC(C)(C)C 83534534 572328322 /nfs/dbraw/zinc/32/83/22/572328322.db2.gz AXEDGUUJFARPJT-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN CCN(C/C=C\Cl)[C@@H](C)COC 307975037 572326314 /nfs/dbraw/zinc/32/63/14/572326314.db2.gz KEECHRRKVFGXNR-UDIARPCQSA-N 0 3 191.702 2.096 10 0 AEAEHN CCC[C@@H](C)CC1(O)CCN(C)CC1 83503522 572326633 /nfs/dbraw/zinc/32/66/33/572326633.db2.gz DYJAOBCCOKRYBK-LLVKDONJSA-N 0 3 199.338 2.269 10 0 AEAEHN CCC[C@H](C)CC1(O)CCN(C)CC1 83503523 572326656 /nfs/dbraw/zinc/32/66/56/572326656.db2.gz DYJAOBCCOKRYBK-NSHDSACASA-N 0 3 199.338 2.269 10 0 AEAEHN CCCCCCC1(O)CCN(C)CC1 83503507 572326712 /nfs/dbraw/zinc/32/67/12/572326712.db2.gz AYEALHSFRIQPPP-UHFFFAOYSA-N 0 3 199.338 2.414 10 0 AEAEHN CCN(C/C=C/Cl)[C@H](C)COC 307975038 572326934 /nfs/dbraw/zinc/32/69/34/572326934.db2.gz KEECHRRKVFGXNR-VUHVRTRXSA-N 0 3 191.702 2.096 10 0 AEAEHN CCCCCC1(O)CCN(C)CC1 83503504 572327053 /nfs/dbraw/zinc/32/70/53/572327053.db2.gz PFODKEUEHDIETM-UHFFFAOYSA-N 0 3 185.311 2.023 10 0 AEAEHN CCN(C/C=C\Cl)[C@H](C)COC 307975036 572327620 /nfs/dbraw/zinc/32/76/20/572327620.db2.gz KEECHRRKVFGXNR-SSJHQANKSA-N 0 3 191.702 2.096 10 0 AEAEHN CC[C@H](C)CC1(O)CCN(CC)CC1 83503542 572327764 /nfs/dbraw/zinc/32/77/64/572327764.db2.gz PQVISPGHAIWTMJ-NSHDSACASA-N 0 3 199.338 2.269 10 0 AEAEHN CNCc1cc(Cl)nc(Cl)c1 59782212 572327788 /nfs/dbraw/zinc/32/77/88/572327788.db2.gz STETVQDKKQCDDL-UHFFFAOYSA-N 0 3 191.061 2.108 10 0 AEAEHN CC[C@@H](OC)[C@@H](NC)c1ccccc1 44043253 572328020 /nfs/dbraw/zinc/32/80/20/572328020.db2.gz KIRBHNXGNBMYIP-NEPJUHHUSA-N 0 3 193.290 2.372 10 0 AEAEHN CCSCCN1CC[C@@](C)(F)C1 307976552 572328119 /nfs/dbraw/zinc/32/81/19/572328119.db2.gz LQAGOQXEKGIOJE-SECBINFHSA-N 0 3 191.315 2.173 10 0 AEAEHN CCC[C@H](C)Cn1c(CN)cnc1C 83534561 572329093 /nfs/dbraw/zinc/32/90/93/572329093.db2.gz HBOUOLUBTUJSSC-VIFPVBQESA-N 0 3 195.310 2.086 10 0 AEAEHN CCCCn1c(CNCC)cnc1C 83534636 572329569 /nfs/dbraw/zinc/32/95/69/572329569.db2.gz JSSUWUWJKQTSKN-UHFFFAOYSA-N 0 3 195.310 2.101 10 0 AEAEHN CCC[C@@H](C)Cn1c(CN)cnc1C 83534560 572329383 /nfs/dbraw/zinc/32/93/83/572329383.db2.gz HBOUOLUBTUJSSC-SECBINFHSA-N 0 3 195.310 2.086 10 0 AEAEHN C=C/C=C\CCC(=O)[C@H](C)NCC 713677359 572329620 /nfs/dbraw/zinc/32/96/20/572329620.db2.gz IYMLZDVAJMDLIK-GFVADAIESA-N 0 3 181.279 2.076 10 0 AEAEHN Cc1cccc(-n2ccnc2N)c1C 235910009 572330264 /nfs/dbraw/zinc/33/02/64/572330264.db2.gz AJYDCZABMDLAOC-UHFFFAOYSA-N 0 3 187.246 2.071 10 0 AEAEHN CCCCCn1c(CNC)cnc1C 83534583 572330274 /nfs/dbraw/zinc/33/02/74/572330274.db2.gz QPKKLAPSFPLGEG-UHFFFAOYSA-N 0 3 195.310 2.101 10 0 AEAEHN C=C/C=C/CCC(=O)[C@H](C)NCC 713677358 572330378 /nfs/dbraw/zinc/33/03/78/572330378.db2.gz IYMLZDVAJMDLIK-FGEFZZPRSA-N 0 3 181.279 2.076 10 0 AEAEHN CCCCCCn1c(CN)cnc1C 83534558 572330549 /nfs/dbraw/zinc/33/05/49/572330549.db2.gz UPXUIYFXHOBAPP-UHFFFAOYSA-N 0 3 195.310 2.231 10 0 AEAEHN C=C/C=C\CCC(=O)[C@@H](C)NCC 713677360 572330804 /nfs/dbraw/zinc/33/08/04/572330804.db2.gz IYMLZDVAJMDLIK-JYESYGNLSA-N 0 3 181.279 2.076 10 0 AEAEHN CCCn1c(CNC(C)C)cnc1C 83534674 572330860 /nfs/dbraw/zinc/33/08/60/572330860.db2.gz OOCPMHYSGPLNJC-UHFFFAOYSA-N 0 3 195.310 2.100 10 0 AEAEHN C=C/C=C/CCC(=O)[C@@H](C)NCC 713677361 572331525 /nfs/dbraw/zinc/33/15/25/572331525.db2.gz IYMLZDVAJMDLIK-VQCYPWCPSA-N 0 3 181.279 2.076 10 0 AEAEHN CCCCN(CCC)CC(C)=O 238202921 572333019 /nfs/dbraw/zinc/33/30/19/572333019.db2.gz ZZIQOMPVSWWAAU-UHFFFAOYSA-N 0 3 171.284 2.088 10 0 AEAEHN CC(=O)[C@@H](C)N(C)CCC1CCC1 688692635 572334288 /nfs/dbraw/zinc/33/42/88/572334288.db2.gz YAUQPTZHJOFAPZ-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N(C)CCC1CCC1 688692636 572334601 /nfs/dbraw/zinc/33/46/01/572334601.db2.gz YAUQPTZHJOFAPZ-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H]1Cc2c(F)ccc(F)c2CN1 52095352 572334612 /nfs/dbraw/zinc/33/46/12/572334612.db2.gz DSSROLXPGOETSY-ZETCQYMHSA-N 0 3 197.228 2.389 10 0 AEAEHN CC[C@@H]1Cc2c(F)ccc(F)c2CN1 52095351 572334644 /nfs/dbraw/zinc/33/46/44/572334644.db2.gz DSSROLXPGOETSY-SSDOTTSWSA-N 0 3 197.228 2.389 10 0 AEAEHN Cc1cccc(-n2cc(C)nc2N)c1 235909175 572335094 /nfs/dbraw/zinc/33/50/94/572335094.db2.gz JRFSODGTSWVHIS-UHFFFAOYSA-N 0 3 187.246 2.071 10 0 AEAEHN CC[C@H](COC)NC/C(C)=C\Cl 307981335 572336011 /nfs/dbraw/zinc/33/60/11/572336011.db2.gz OLQXLNCTFCVCNX-BZJXQOFCSA-N 0 3 191.702 2.144 10 0 AEAEHN CC(C)C(C(C)C)n1cc(CN)cn1 238206066 572337843 /nfs/dbraw/zinc/33/78/43/572337843.db2.gz LTZQIZRFYNWDRK-UHFFFAOYSA-N 0 3 195.310 2.195 10 0 AEAEHN CC[C@@H](COC)NC/C(C)=C\Cl 307981338 572337759 /nfs/dbraw/zinc/33/77/59/572337759.db2.gz OLQXLNCTFCVCNX-RDOCRHDPSA-N 0 3 191.702 2.144 10 0 AEAEHN C=C/C=C/CCC(=O)[C@H](C)NC1CC1 713680769 572338000 /nfs/dbraw/zinc/33/80/00/572338000.db2.gz CDIYBGKPULQYPA-YEZKRMTDSA-N 0 3 193.290 2.218 10 0 AEAEHN C1=C[C@@H](c2ccccc2)NCC1 60165151 572338071 /nfs/dbraw/zinc/33/80/71/572338071.db2.gz VTPNJSSPGLKTLL-NSHDSACASA-N 0 3 159.232 2.277 10 0 AEAEHN CCC[C@@H](C)C[C@@H](N)c1ccn(C)n1 83573508 572339899 /nfs/dbraw/zinc/33/98/99/572339899.db2.gz YIOWEWZUUVAQPP-NXEZZACHSA-N 0 3 195.310 2.246 10 0 AEAEHN CCC[C@H](C)C[C@H](N)c1ccn(C)n1 83573506 572340076 /nfs/dbraw/zinc/34/00/76/572340076.db2.gz YIOWEWZUUVAQPP-UWVGGRQHSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCC[C@H](N)c1ncccc1F 83574299 572340211 /nfs/dbraw/zinc/34/02/11/572340211.db2.gz OOHARBPUUSJBCU-VIFPVBQESA-N 0 3 182.242 2.411 10 0 AEAEHN CCN[C@H](CC(C)C)c1ccn(C)n1 83574118 572340249 /nfs/dbraw/zinc/34/02/49/572340249.db2.gz SJDZRQFTIZDZBC-LLVKDONJSA-N 0 3 195.310 2.117 10 0 AEAEHN CCC[C@@H](C)C[C@H](N)c1ccn(C)n1 83573504 572340347 /nfs/dbraw/zinc/34/03/47/572340347.db2.gz YIOWEWZUUVAQPP-ZJUUUORDSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCNCc1snnc1C(C)C 83577203 572340413 /nfs/dbraw/zinc/34/04/13/572340413.db2.gz NPUGKQOXJPIJOG-UHFFFAOYSA-N 0 3 199.323 2.161 10 0 AEAEHN CCCCC[C@H](NC)c1ccn(C)n1 83573691 572340617 /nfs/dbraw/zinc/34/06/17/572340617.db2.gz XGALAENMYYJVHX-JTQLQIEISA-N 0 3 195.310 2.261 10 0 AEAEHN CCC[C@H](C)C[C@@H](N)c1ccn(C)n1 83573509 572340653 /nfs/dbraw/zinc/34/06/53/572340653.db2.gz YIOWEWZUUVAQPP-VHSXEESVSA-N 0 3 195.310 2.246 10 0 AEAEHN CN[C@@H](CCC(C)C)c1ccn(C)n1 83573715 572340709 /nfs/dbraw/zinc/34/07/09/572340709.db2.gz GPIKYXQWCJXHHS-JTQLQIEISA-N 0 3 195.310 2.117 10 0 AEAEHN CCCCC[C@@H](N)c1ccn(C)n1 83573191 572340878 /nfs/dbraw/zinc/34/08/78/572340878.db2.gz PFBPROMTJHKVHD-SECBINFHSA-N 0 3 181.283 2.000 10 0 AEAEHN CCCCCC[C@H](N)c1ccn(C)n1 83573286 572341014 /nfs/dbraw/zinc/34/10/14/572341014.db2.gz VKUYXFVABQRROT-JTQLQIEISA-N 0 3 195.310 2.390 10 0 AEAEHN CC(C)NCc1snnc1C(C)C 83577205 572341179 /nfs/dbraw/zinc/34/11/79/572341179.db2.gz ZPHWYRIEKQQHDG-UHFFFAOYSA-N 0 3 199.323 2.160 10 0 AEAEHN CCCN[C@H](CCC)c1ccn(C)n1 83574162 572341379 /nfs/dbraw/zinc/34/13/79/572341379.db2.gz QNRVQIHRIMBLNW-SNVBAGLBSA-N 0 3 195.310 2.261 10 0 AEAEHN CCCC[C@H](NCC)c1ccn(C)n1 83573972 572342281 /nfs/dbraw/zinc/34/22/81/572342281.db2.gz ZMSRQIWFOXOCRU-JTQLQIEISA-N 0 3 195.310 2.261 10 0 AEAEHN CCN[C@@H](c1ccn(C)n1)C(C)(C)C 83574080 572341493 /nfs/dbraw/zinc/34/14/93/572341493.db2.gz UQRUZLMTCDAXON-JTQLQIEISA-N 0 3 195.310 2.117 10 0 AEAEHN CCCC[C@@H](N)c1ncccc1F 83574302 572341499 /nfs/dbraw/zinc/34/14/99/572341499.db2.gz OOHARBPUUSJBCU-SECBINFHSA-N 0 3 182.242 2.411 10 0 AEAEHN CCCN[C@H](c1ccn(C)n1)C(C)C 83574207 572341547 /nfs/dbraw/zinc/34/15/47/572341547.db2.gz WJQULLVDLVEUIL-NSHDSACASA-N 0 3 195.310 2.117 10 0 AEAEHN C[C@@H]1CN=Cc2ccccc21 39407149 572341837 /nfs/dbraw/zinc/34/18/37/572341837.db2.gz WYKKMLDQCFENNJ-MRVPVSSYSA-N 0 3 145.205 2.223 10 0 AEAEHN CCN[C@@H](CC(C)C)c1ccn(C)n1 83574117 572341849 /nfs/dbraw/zinc/34/18/49/572341849.db2.gz SJDZRQFTIZDZBC-NSHDSACASA-N 0 3 195.310 2.117 10 0 AEAEHN CCN[C@H](c1ccn(C)n1)C(C)(C)C 83574082 572341888 /nfs/dbraw/zinc/34/18/88/572341888.db2.gz UQRUZLMTCDAXON-SNVBAGLBSA-N 0 3 195.310 2.117 10 0 AEAEHN CCCCC[C@@H](NC)c1ccn(C)n1 83573693 572341927 /nfs/dbraw/zinc/34/19/27/572341927.db2.gz XGALAENMYYJVHX-SNVBAGLBSA-N 0 3 195.310 2.261 10 0 AEAEHN CCCC[C@@H](N)c1ccncc1F 83574344 572341931 /nfs/dbraw/zinc/34/19/31/572341931.db2.gz ICNTYBGSQCSZRG-SNVBAGLBSA-N 0 3 182.242 2.411 10 0 AEAEHN CCCCCC[C@@H](N)c1ccn(C)n1 83573288 572342037 /nfs/dbraw/zinc/34/20/37/572342037.db2.gz VKUYXFVABQRROT-SNVBAGLBSA-N 0 3 195.310 2.390 10 0 AEAEHN CN[C@H](CCC(C)C)c1ccn(C)n1 83573716 572342132 /nfs/dbraw/zinc/34/21/32/572342132.db2.gz GPIKYXQWCJXHHS-SNVBAGLBSA-N 0 3 195.310 2.117 10 0 AEAEHN CCCCC[C@H](N)c1ccn(C)n1 83573188 572342141 /nfs/dbraw/zinc/34/21/41/572342141.db2.gz PFBPROMTJHKVHD-VIFPVBQESA-N 0 3 181.283 2.000 10 0 AEAEHN CCCC[C@@H](NCC)c1ccn(C)n1 83573973 572342335 /nfs/dbraw/zinc/34/23/35/572342335.db2.gz ZMSRQIWFOXOCRU-SNVBAGLBSA-N 0 3 195.310 2.261 10 0 AEAEHN CC[C@H](C)C[C@H](NC)c1ccn(C)n1 83573765 572342521 /nfs/dbraw/zinc/34/25/21/572342521.db2.gz UKDLOZGDWUJYDK-ONGXEEELSA-N 0 3 195.310 2.117 10 0 AEAEHN CCCN[C@@H](c1ccn(C)n1)C(C)C 83574203 572342582 /nfs/dbraw/zinc/34/25/82/572342582.db2.gz WJQULLVDLVEUIL-LLVKDONJSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H](C)C[C@H](NC)c1ccn(C)n1 83573763 572342461 /nfs/dbraw/zinc/34/24/61/572342461.db2.gz UKDLOZGDWUJYDK-KOLCDFICSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@H](C)C[C@@H](NC)c1ccn(C)n1 83573768 572342629 /nfs/dbraw/zinc/34/26/29/572342629.db2.gz UKDLOZGDWUJYDK-GXSJLCMTSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H](C)C[C@@H](NC)c1ccn(C)n1 83573767 572342664 /nfs/dbraw/zinc/34/26/64/572342664.db2.gz UKDLOZGDWUJYDK-MWLCHTKSSA-N 0 3 195.310 2.117 10 0 AEAEHN CCCCCC[C@@]12CCCN1CCN2 238216547 572342725 /nfs/dbraw/zinc/34/27/25/572342725.db2.gz MUJFFIXJKSGSNW-LBPRGKRZSA-N 0 3 196.338 2.352 10 0 AEAEHN CCOC[C@@H](C)NC/C(C)=C\Cl 307989663 572342743 /nfs/dbraw/zinc/34/27/43/572342743.db2.gz VLXUNBXEISEMAW-BZJXQOFCSA-N 0 3 191.702 2.144 10 0 AEAEHN C/C=C\c1cccc2c1CNC2 214818962 572343532 /nfs/dbraw/zinc/34/35/32/572343532.db2.gz SDMYIMLARLHDGK-RQOWECAXSA-N 0 3 159.232 2.323 10 0 AEAEHN CCOC[C@@H](N)c1sccc1C 87022172 572344704 /nfs/dbraw/zinc/34/47/04/572344704.db2.gz FFZOABGGTGVURH-MRVPVSSYSA-N 0 3 185.292 2.093 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1sccc1C 87021900 572344592 /nfs/dbraw/zinc/34/45/92/572344592.db2.gz OMKVQCMFJLIPFY-BDAKNGLRSA-N 0 3 199.319 2.481 10 0 AEAEHN CCOC[C@H](C)NC/C(C)=C\Cl 307989664 572344639 /nfs/dbraw/zinc/34/46/39/572344639.db2.gz VLXUNBXEISEMAW-RDOCRHDPSA-N 0 3 191.702 2.144 10 0 AEAEHN CCN[C@H](COC)c1sccc1C 87021743 572345403 /nfs/dbraw/zinc/34/54/03/572345403.db2.gz MXBYXQLZPXVELW-SECBINFHSA-N 0 3 199.319 2.354 10 0 AEAEHN CCOC[C@@H](NC)c1sccc1C 87022176 572345520 /nfs/dbraw/zinc/34/55/20/572345520.db2.gz BJONHGUMOZSBII-SECBINFHSA-N 0 3 199.319 2.354 10 0 AEAEHN CC[C@](N)(COC)c1sccc1C 87021158 572345968 /nfs/dbraw/zinc/34/59/68/572345968.db2.gz UZKRPKODCYEWMW-JTQLQIEISA-N 0 3 199.319 2.267 10 0 AEAEHN CCOC[C@H](N)c1sccc1C 87022171 572346041 /nfs/dbraw/zinc/34/60/41/572346041.db2.gz FFZOABGGTGVURH-QMMMGPOBSA-N 0 3 185.292 2.093 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1sccc1C 87021903 572346291 /nfs/dbraw/zinc/34/62/91/572346291.db2.gz OMKVQCMFJLIPFY-RKDXNWHRSA-N 0 3 199.319 2.481 10 0 AEAEHN CCCOC[C@H](N)c1sccc1C 87021760 572346635 /nfs/dbraw/zinc/34/66/35/572346635.db2.gz VLQMJUZVJQXYTR-VIFPVBQESA-N 0 3 199.319 2.483 10 0 AEAEHN CCCOC[C@@H](N)c1sccc1C 87021762 572346726 /nfs/dbraw/zinc/34/67/26/572346726.db2.gz VLQMJUZVJQXYTR-SECBINFHSA-N 0 3 199.319 2.483 10 0 AEAEHN COc1ccc(C)c(OC)c1[C@@H](C)N 214815017 572346985 /nfs/dbraw/zinc/34/69/85/572346985.db2.gz HZQCIMUTWUVXMX-MRVPVSSYSA-N 0 3 195.262 2.032 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1sccc1C 87021901 572347046 /nfs/dbraw/zinc/34/70/46/572347046.db2.gz OMKVQCMFJLIPFY-DTWKUNHWSA-N 0 3 199.319 2.481 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1sccc1C 87021899 572347100 /nfs/dbraw/zinc/34/71/00/572347100.db2.gz OMKVQCMFJLIPFY-IUCAKERBSA-N 0 3 199.319 2.481 10 0 AEAEHN CCN[C@@H](COC)c1sccc1C 87021741 572347124 /nfs/dbraw/zinc/34/71/24/572347124.db2.gz MXBYXQLZPXVELW-VIFPVBQESA-N 0 3 199.319 2.354 10 0 AEAEHN CC[C@@](N)(COC)c1sccc1C 87021156 572347480 /nfs/dbraw/zinc/34/74/80/572347480.db2.gz UZKRPKODCYEWMW-SNVBAGLBSA-N 0 3 199.319 2.267 10 0 AEAEHN CCCCN(C)Cc1ccc[nH]1 307983805 572348347 /nfs/dbraw/zinc/34/83/47/572348347.db2.gz QFVBCSABTVCPER-UHFFFAOYSA-N 0 3 166.268 2.247 10 0 AEAEHN COc1ccc(C)c(OC)c1[C@H](C)N 214815061 572348757 /nfs/dbraw/zinc/34/87/57/572348757.db2.gz HZQCIMUTWUVXMX-QMMMGPOBSA-N 0 3 195.262 2.032 10 0 AEAEHN CCCCN/C=C/C=C/C(=O)OCC 238218341 572349570 /nfs/dbraw/zinc/34/95/70/572349570.db2.gz CMASWTAUFFNCLI-NBANWCDVSA-N 0 3 197.278 2.009 10 0 AEAEHN CCCC[C@H](N)c1cc(C)c[nH]c1=O 238219345 572350230 /nfs/dbraw/zinc/35/02/30/572350230.db2.gz IYAIEIZAISVRCG-JTQLQIEISA-N 0 3 194.278 2.286 10 0 AEAEHN COCC(C)(C)NC/C(C)=C\Cl 307985705 572351729 /nfs/dbraw/zinc/35/17/29/572351729.db2.gz SMQSJUWQTDHJBE-YVMONPNESA-N 0 3 191.702 2.144 10 0 AEAEHN Cc1c[nH]c(C)c1C1=CCN(C)CC1 140937303 572354525 /nfs/dbraw/zinc/35/45/25/572354525.db2.gz VCJVHCCCWRHFCO-UHFFFAOYSA-N 0 3 190.290 2.350 10 0 AEAEHN CCCNCc1cnoc1C(C)C 83631075 572354755 /nfs/dbraw/zinc/35/47/55/572354755.db2.gz QGCZNIKAQBYTLJ-UHFFFAOYSA-N 0 3 182.267 2.298 10 0 AEAEHN CC(C)NCc1cnoc1C(C)C 83631100 572356131 /nfs/dbraw/zinc/35/61/31/572356131.db2.gz CHZGIBNSKBUEQE-UHFFFAOYSA-N 0 3 182.267 2.296 10 0 AEAEHN CC(C)CNCc1cnoc1C1CC1 83631141 572356148 /nfs/dbraw/zinc/35/61/48/572356148.db2.gz JOAKALHSEBDMDB-UHFFFAOYSA-N 0 3 194.278 2.298 10 0 AEAEHN CC(C)NCc1cnoc1C1CC1 83631094 572356302 /nfs/dbraw/zinc/35/63/02/572356302.db2.gz BBGMHYJZOUJMCI-UHFFFAOYSA-N 0 3 180.251 2.050 10 0 AEAEHN CC(C)(C)c1oncc1CNC1CC1 83631113 572356544 /nfs/dbraw/zinc/35/65/44/572356544.db2.gz MWPCIZWYJXDWHI-UHFFFAOYSA-N 0 3 194.278 2.224 10 0 AEAEHN CCCNCc1cnoc1C1CC1 83631066 572356645 /nfs/dbraw/zinc/35/66/45/572356645.db2.gz KCAUDSCAZLBNJI-UHFFFAOYSA-N 0 3 180.251 2.052 10 0 AEAEHN CC(C)NCc1cnoc1C(C)(C)C 83631089 572356677 /nfs/dbraw/zinc/35/66/77/572356677.db2.gz VKBCFWYCYIVZFT-UHFFFAOYSA-N 0 3 196.294 2.470 10 0 AEAEHN COCCNCc1cc(C)c(C)s1 83631462 572356969 /nfs/dbraw/zinc/35/69/69/572356969.db2.gz PYXJFKCBZCEMGS-UHFFFAOYSA-N 0 3 199.319 2.101 10 0 AEAEHN CCCNCc1cnoc1C(C)(C)C 83631062 572357009 /nfs/dbraw/zinc/35/70/09/572357009.db2.gz USBUEXYRWMNISJ-UHFFFAOYSA-N 0 3 196.294 2.472 10 0 AEAEHN CC(C)c1oncc1CNC1CC1 83631125 572357324 /nfs/dbraw/zinc/35/73/24/572357324.db2.gz SMQJHYJGVJDXEO-UHFFFAOYSA-N 0 3 180.251 2.050 10 0 AEAEHN CCNCc1cnoc1C(C)(C)C 83631023 572357625 /nfs/dbraw/zinc/35/76/25/572357625.db2.gz WGOILUQKSVEITN-UHFFFAOYSA-N 0 3 182.267 2.082 10 0 AEAEHN CC(C)(C)NCc1cnoc1C1CC1 83631133 572357754 /nfs/dbraw/zinc/35/77/54/572357754.db2.gz RECDWARYTUFAEN-UHFFFAOYSA-N 0 3 194.278 2.440 10 0 AEAEHN CCNCc1cnoc1C1CCCC1 83631035 572357975 /nfs/dbraw/zinc/35/79/75/572357975.db2.gz OOCYSKGRRCKDFF-UHFFFAOYSA-N 0 3 194.278 2.442 10 0 AEAEHN CC/C=C/CCC(=O)[C@@H]1CCCCN1 238219706 572358768 /nfs/dbraw/zinc/35/87/68/572358768.db2.gz MEWDBUNWAJKEEC-UFFNRZRYSA-N 0 3 195.306 2.444 10 0 AEAEHN CC/C=C/CCC(=O)[C@H]1CCCCN1 238219721 572359760 /nfs/dbraw/zinc/35/97/60/572359760.db2.gz MEWDBUNWAJKEEC-PGLGOXFNSA-N 0 3 195.306 2.444 10 0 AEAEHN Nc1ccncc1-c1ccc(C=O)cc1 238663272 572360570 /nfs/dbraw/zinc/36/05/70/572360570.db2.gz BNKJFCQTLGKWLZ-UHFFFAOYSA-N 0 3 198.225 2.143 10 0 AEAEHN C/C=C/COCc1ccoc1CNC 52594620 572363336 /nfs/dbraw/zinc/36/33/36/572363336.db2.gz ZGEFTZWCSYTKEL-ONEGZZNKSA-N 0 3 195.262 2.092 10 0 AEAEHN C[NH2+][C@H](C)/C=C/c1ccc([O-])c(F)c1 234428228 572375766 /nfs/dbraw/zinc/37/57/66/572375766.db2.gz XYSSSSGGHULITL-MPJRPATESA-N 0 3 195.237 2.152 10 0 AEAEHN CCN[C@@H](c1ccoc1)[C@H]1CCCO1 83713921 572369620 /nfs/dbraw/zinc/36/96/20/572369620.db2.gz UDRJLPLOXWLHRA-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN CCN[C@@H](c1ccoc1)[C@@H]1CCCO1 83713917 572369645 /nfs/dbraw/zinc/36/96/45/572369645.db2.gz UDRJLPLOXWLHRA-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CCN[C@H](c1ccoc1)[C@H]1CCCO1 83713923 572369728 /nfs/dbraw/zinc/36/97/28/572369728.db2.gz UDRJLPLOXWLHRA-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN CCN[C@H](c1ccoc1)[C@@H]1CCCO1 83713919 572369744 /nfs/dbraw/zinc/36/97/44/572369744.db2.gz UDRJLPLOXWLHRA-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN Cc1ccc([C@H](C)N[C@@H](C)[C@@H](C)O)o1 87128512 572369909 /nfs/dbraw/zinc/36/99/09/572369909.db2.gz URNRCELLMHRPMU-LPEHRKFASA-N 0 3 197.278 2.008 10 0 AEAEHN Cc1ccc([C@H](C)N[C@H](C)[C@@H](C)O)o1 87128516 572370020 /nfs/dbraw/zinc/37/00/20/572370020.db2.gz URNRCELLMHRPMU-KXUCPTDWSA-N 0 3 197.278 2.008 10 0 AEAEHN CCSCCNc1ccncc1 307994412 572372753 /nfs/dbraw/zinc/37/27/53/572372753.db2.gz AWTLBMRHYXAWFL-UHFFFAOYSA-N 0 3 182.292 2.247 10 0 AEAEHN C[C@H](N[C@H](C)[C@@H](C)O)c1ccsc1 87129715 572374456 /nfs/dbraw/zinc/37/44/56/572374456.db2.gz PVMRNBZSVREKFS-HRDYMLBCSA-N 0 3 199.319 2.168 10 0 AEAEHN CN[C@@H](C)c1cccc(F)c1N(C)C 234428579 572375680 /nfs/dbraw/zinc/37/56/80/572375680.db2.gz LDPIYGREPUSEKR-QMMMGPOBSA-N 0 3 196.269 2.172 10 0 AEAEHN Cc1cc(Cl)nc(Cl)c1CN 44248527 572375715 /nfs/dbraw/zinc/37/57/15/572375715.db2.gz FNCCZNFRRPOLCZ-UHFFFAOYSA-N 0 3 191.061 2.156 10 0 AEAEHN COC1CC(N[C@@H](C)c2ccoc2)C1 230675382 572376558 /nfs/dbraw/zinc/37/65/58/572376558.db2.gz NMFPXNKFWSCGCJ-PUSIOWJLSA-N 0 3 195.262 2.108 10 0 AEAEHN Cc1[nH]c(=S)c(CN)c(C)c1C 44248531 572377012 /nfs/dbraw/zinc/37/70/12/572377012.db2.gz LZIVXPBOFSMALN-UHFFFAOYSA-N 0 3 182.292 2.128 10 0 AEAEHN Cc1cc(NC(=N)CC(C)C)n[nH]1 141053823 572377436 /nfs/dbraw/zinc/37/74/36/572377436.db2.gz AYYRPDZHUBKXSI-UHFFFAOYSA-N 0 3 180.255 2.153 10 0 AEAEHN C[C@@H](CF)N[C@@H](C)CC(F)(F)F 308004105 572377834 /nfs/dbraw/zinc/37/78/34/572377834.db2.gz CKNOSBPPDXZZJJ-WDSKDSINSA-N 0 3 187.180 2.275 10 0 AEAEHN C=C/C=C/CCNCc1conc1C 713697256 572378131 /nfs/dbraw/zinc/37/81/31/572378131.db2.gz UFLTXHGGYRDSBO-SNAWJCMRSA-N 0 3 192.262 2.205 10 0 AEAEHN C[C@H](CF)N[C@H](C)CC(F)(F)F 308004102 572378377 /nfs/dbraw/zinc/37/83/77/572378377.db2.gz CKNOSBPPDXZZJJ-PHDIDXHHSA-N 0 3 187.180 2.275 10 0 AEAEHN C[C@@H](CF)N[C@H](C)CC(F)(F)F 308004104 572378458 /nfs/dbraw/zinc/37/84/58/572378458.db2.gz CKNOSBPPDXZZJJ-RITPCOANSA-N 0 3 187.180 2.275 10 0 AEAEHN CCC(CC)Oc1ccc(CN)nc1 87156787 572379398 /nfs/dbraw/zinc/37/93/98/572379398.db2.gz XYQLCPSPRUKZQA-UHFFFAOYSA-N 0 3 194.278 2.108 10 0 AEAEHN COc1ccc(CSC)cc1CN 83730243 572380512 /nfs/dbraw/zinc/38/05/12/572380512.db2.gz HMOZDNOSCJHXRX-UHFFFAOYSA-N 0 3 197.303 2.017 10 0 AEAEHN CCC(CC)C1(O)CCN(CC)CC1 87158441 572381502 /nfs/dbraw/zinc/38/15/02/572381502.db2.gz OHLCLPIJZZVNGC-UHFFFAOYSA-N 0 3 199.338 2.269 10 0 AEAEHN CCCCC[C@@H]1CN[C@H](C)[C@H](C)O1 87148551 572384428 /nfs/dbraw/zinc/38/44/28/572384428.db2.gz JBFAAAHIDFOEQI-OUAUKWLOSA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(=O)CN1C[C@@H]2CCCCC[C@H]21 687938471 572383456 /nfs/dbraw/zinc/38/34/56/572383456.db2.gz ZYTHLSNCBNAFEQ-CMPLNLGQSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC(CC)n1cc(CNC)c(C)n1 87174470 572383475 /nfs/dbraw/zinc/38/34/75/572383475.db2.gz AROKJYMZKSTOKC-UHFFFAOYSA-N 0 3 195.310 2.272 10 0 AEAEHN CCCCC[C@@H](NCC)c1nc[nH]n1 83746699 572383492 /nfs/dbraw/zinc/38/34/92/572383492.db2.gz WVCIPXYEECAZSY-SECBINFHSA-N 0 3 196.298 2.036 10 0 AEAEHN CCCCC[C@@H](NCC)c1nnc[nH]1 83746699 572383495 /nfs/dbraw/zinc/38/34/95/572383495.db2.gz WVCIPXYEECAZSY-SECBINFHSA-N 0 3 196.298 2.036 10 0 AEAEHN CCCCC[C@H](NCC)c1nc[nH]n1 83746698 572383613 /nfs/dbraw/zinc/38/36/13/572383613.db2.gz WVCIPXYEECAZSY-VIFPVBQESA-N 0 3 196.298 2.036 10 0 AEAEHN CCCCC[C@H](NCC)c1nnc[nH]1 83746698 572383617 /nfs/dbraw/zinc/38/36/17/572383617.db2.gz WVCIPXYEECAZSY-VIFPVBQESA-N 0 3 196.298 2.036 10 0 AEAEHN CCC(=O)CN1C[C@@H]2CCCCC[C@@H]21 687938474 572383851 /nfs/dbraw/zinc/38/38/51/572383851.db2.gz ZYTHLSNCBNAFEQ-JQWIXIFHSA-N 0 3 195.306 2.230 10 0 AEAEHN CN(CCc1ccsc1)C1CC1 308001427 572384348 /nfs/dbraw/zinc/38/43/48/572384348.db2.gz ZQUPGTJFWPRCSU-UHFFFAOYSA-N 0 3 181.304 2.385 10 0 AEAEHN CCCCCC[C@@H](NC)c1nc[nH]n1 83746510 572384515 /nfs/dbraw/zinc/38/45/15/572384515.db2.gz YLGOCJSSBNORLE-SECBINFHSA-N 0 3 196.298 2.036 10 0 AEAEHN CCCCCC[C@@H](NC)c1nnc[nH]1 83746510 572384520 /nfs/dbraw/zinc/38/45/20/572384520.db2.gz YLGOCJSSBNORLE-SECBINFHSA-N 0 3 196.298 2.036 10 0 AEAEHN CC(C)N(CCF)C[C@@H]1C[C@H]1C 308002174 572386509 /nfs/dbraw/zinc/38/65/09/572386509.db2.gz BMEFXERIRORLFT-ZJUUUORDSA-N 0 3 173.275 2.322 10 0 AEAEHN CCC(=O)CN1C[C@H]2CCCCC[C@@H]21 687938477 572384724 /nfs/dbraw/zinc/38/47/24/572384724.db2.gz ZYTHLSNCBNAFEQ-PWSUYJOCSA-N 0 3 195.306 2.230 10 0 AEAEHN CCCCCC[C@H](NC)c1nc[nH]n1 83746509 572384925 /nfs/dbraw/zinc/38/49/25/572384925.db2.gz YLGOCJSSBNORLE-VIFPVBQESA-N 0 3 196.298 2.036 10 0 AEAEHN CCCCCC[C@H](NC)c1nnc[nH]1 83746509 572384930 /nfs/dbraw/zinc/38/49/30/572384930.db2.gz YLGOCJSSBNORLE-VIFPVBQESA-N 0 3 196.298 2.036 10 0 AEAEHN CN[C@H](C)c1cccc(F)c1N(C)C 234431887 572385419 /nfs/dbraw/zinc/38/54/19/572385419.db2.gz LDPIYGREPUSEKR-MRVPVSSYSA-N 0 3 196.269 2.172 10 0 AEAEHN CCCc1nc(C)c(CNCC)o1 238225986 572385573 /nfs/dbraw/zinc/38/55/73/572385573.db2.gz RQJOZWPYUKCUSM-UHFFFAOYSA-N 0 3 182.267 2.045 10 0 AEAEHN CCC(CC)n1cc(CN)c(C)n1 87174468 572385581 /nfs/dbraw/zinc/38/55/81/572385581.db2.gz QTQZGTNFIVGQBW-UHFFFAOYSA-N 0 3 181.283 2.011 10 0 AEAEHN CCCCC[C@@H]1CN[C@@H](C)[C@H](C)O1 87148555 572385832 /nfs/dbraw/zinc/38/58/32/572385832.db2.gz JBFAAAHIDFOEQI-GARJFASQSA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(=O)CN1C[C@H]2CCCCC[C@H]21 687938480 572385970 /nfs/dbraw/zinc/38/59/70/572385970.db2.gz ZYTHLSNCBNAFEQ-ZYHUDNBSSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)N(CCF)C[C@H]1C[C@@H]1C 308002172 572386048 /nfs/dbraw/zinc/38/60/48/572386048.db2.gz BMEFXERIRORLFT-VHSXEESVSA-N 0 3 173.275 2.322 10 0 AEAEHN Cc1cc(Cl)c([O-])c(CCC[NH3+])c1 44282482 572386270 /nfs/dbraw/zinc/38/62/70/572386270.db2.gz IECQKLJENLDMCN-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN CC(C)N(CCF)C[C@H]1C[C@H]1C 308002168 572386304 /nfs/dbraw/zinc/38/63/04/572386304.db2.gz BMEFXERIRORLFT-NXEZZACHSA-N 0 3 173.275 2.322 10 0 AEAEHN CC(C)N(CCF)C[C@@H]1C[C@@H]1C 308002170 572386481 /nfs/dbraw/zinc/38/64/81/572386481.db2.gz BMEFXERIRORLFT-UWVGGRQHSA-N 0 3 173.275 2.322 10 0 AEAEHN CCCC[C@H](NCCC)c1nc[nH]n1 83746844 572386871 /nfs/dbraw/zinc/38/68/71/572386871.db2.gz JTZFJKOKNHZADK-VIFPVBQESA-N 0 3 196.298 2.036 10 0 AEAEHN CCCC[C@@H](NCCC)c1nc[nH]n1 83746845 572387410 /nfs/dbraw/zinc/38/74/10/572387410.db2.gz JTZFJKOKNHZADK-SECBINFHSA-N 0 3 196.298 2.036 10 0 AEAEHN CCOCOc1ccccc1[C@H](C)N 83755938 572389601 /nfs/dbraw/zinc/38/96/01/572389601.db2.gz PJNGQVOCEHCRNE-VIFPVBQESA-N 0 3 195.262 2.079 10 0 AEAEHN CC[C@@H](C[C@H](C)CC)NC1COC1 87194926 572390357 /nfs/dbraw/zinc/39/03/57/572390357.db2.gz DGFIMHRJMZRWIT-ZJUUUORDSA-N 0 3 185.311 2.190 10 0 AEAEHN CCOCOc1ccccc1[C@@H](C)N 83755937 572390537 /nfs/dbraw/zinc/39/05/37/572390537.db2.gz PJNGQVOCEHCRNE-SECBINFHSA-N 0 3 195.262 2.079 10 0 AEAEHN CC[C@H](C)C[C@@H](CC)NC1COC1 87194925 572390739 /nfs/dbraw/zinc/39/07/39/572390739.db2.gz DGFIMHRJMZRWIT-VHSXEESVSA-N 0 3 185.311 2.190 10 0 AEAEHN CCCC[C@@H](CC)CNC1COC1 87195536 572391157 /nfs/dbraw/zinc/39/11/57/572391157.db2.gz DLYQAKAVTYWMCL-SNVBAGLBSA-N 0 3 185.311 2.191 10 0 AEAEHN CC[C@H](C)C[C@H](CC)NC1COC1 87194927 572391805 /nfs/dbraw/zinc/39/18/05/572391805.db2.gz DGFIMHRJMZRWIT-UWVGGRQHSA-N 0 3 185.311 2.190 10 0 AEAEHN CCCC[C@H](CC)CNC1COC1 87195537 572392468 /nfs/dbraw/zinc/39/24/68/572392468.db2.gz DLYQAKAVTYWMCL-JTQLQIEISA-N 0 3 185.311 2.191 10 0 AEAEHN CCC[C@@H](N)c1c(N)cccc1OC 238228002 572392860 /nfs/dbraw/zinc/39/28/60/572392860.db2.gz RNOQACXLQOWVPH-MRVPVSSYSA-N 0 3 194.278 2.077 10 0 AEAEHN CC[C@@H](C)C[C@@H](CC)NC1COC1 87194924 572393200 /nfs/dbraw/zinc/39/32/00/572393200.db2.gz DGFIMHRJMZRWIT-NXEZZACHSA-N 0 3 185.311 2.190 10 0 AEAEHN CCC(CC)[C@@H](NC)c1ccn(C)n1 87170639 572395082 /nfs/dbraw/zinc/39/50/82/572395082.db2.gz VZCRYODFRWUBOD-LLVKDONJSA-N 0 3 195.310 2.117 10 0 AEAEHN CCCc1nc(CC)c(CNCC)o1 238226769 572395255 /nfs/dbraw/zinc/39/52/55/572395255.db2.gz KWKHDTLJIMKVON-UHFFFAOYSA-N 0 3 196.294 2.299 10 0 AEAEHN C[C@]1(F)CCN(CCCCF)C1 308008736 572395938 /nfs/dbraw/zinc/39/59/38/572395938.db2.gz FFWAISSWSKGBDC-VIFPVBQESA-N 0 3 177.238 2.170 10 0 AEAEHN CCC(CC)[C@H](NC)c1ccn(C)n1 87170637 572396461 /nfs/dbraw/zinc/39/64/61/572396461.db2.gz VZCRYODFRWUBOD-NSHDSACASA-N 0 3 195.310 2.117 10 0 AEAEHN CCC(CC)[C@H](NC)c1ccncn1 87170397 572397045 /nfs/dbraw/zinc/39/70/45/572397045.db2.gz YCGNQNDRIPROLD-NSHDSACASA-N 0 3 193.294 2.173 10 0 AEAEHN CCC(CC)C(=O)C(C)(C)N(C)C 87169386 572397894 /nfs/dbraw/zinc/39/78/94/572397894.db2.gz BCWVXRGUCAYLKN-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(CC)[C@@H](NC)c1ccncn1 87170398 572397926 /nfs/dbraw/zinc/39/79/26/572397926.db2.gz YCGNQNDRIPROLD-LLVKDONJSA-N 0 3 193.294 2.173 10 0 AEAEHN CCCC1(O)CN(C(CC)CC)C1 87171760 572399051 /nfs/dbraw/zinc/39/90/51/572399051.db2.gz KOTANLQEFGOKDC-UHFFFAOYSA-N 0 3 185.311 2.022 10 0 AEAEHN CCCCCC[C@]12CCCN1CCN2 238230079 572401681 /nfs/dbraw/zinc/40/16/81/572401681.db2.gz MUJFFIXJKSGSNW-GFCCVEGCSA-N 0 3 196.338 2.352 10 0 AEAEHN CCC[C@@H](N)c1cc(C)cnc1OC 238230406 572403171 /nfs/dbraw/zinc/40/31/71/572403171.db2.gz RDQQBOQCBMNHBW-SNVBAGLBSA-N 0 3 194.278 2.199 10 0 AEAEHN CCC[C@@H](N)c1cc(F)ccc1CO 238232351 572408522 /nfs/dbraw/zinc/40/85/22/572408522.db2.gz UQSXJIDOAZWUOK-LLVKDONJSA-N 0 3 197.253 2.118 10 0 AEAEHN Cc1nsc(C)c1CNC1CC1 76607346 572405025 /nfs/dbraw/zinc/40/50/25/572405025.db2.gz NWPYKDUGRCDTAP-UHFFFAOYSA-N 0 3 182.292 2.012 10 0 AEAEHN CCCC[C@H](C=C=CCN(C)C)CO 238792692 572407651 /nfs/dbraw/zinc/40/76/51/572407651.db2.gz SSJJKHKGLUONMZ-SMFDIBLKSA-N 0 3 197.322 2.058 10 0 AEAEHN CCC(=O)CN1CCC(CC)(CC)C1 87256916 572408706 /nfs/dbraw/zinc/40/87/06/572408706.db2.gz UQNOTUHUPIPOPM-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CCC1(CC)CCN([C@H](C)C(C)=O)C1 87256929 572409497 /nfs/dbraw/zinc/40/94/97/572409497.db2.gz ZWIPWDJXISCGHG-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCNCc1cnc([C@H]2C[C@H]2C)s1 83809752 572412526 /nfs/dbraw/zinc/41/25/26/572412526.db2.gz LSSWIIYNRNSZBR-APPZFPTMSA-N 0 3 196.319 2.376 10 0 AEAEHN CCC1(CC)CCN([C@@H](C)C(C)=O)C1 87256927 572410600 /nfs/dbraw/zinc/41/06/00/572410600.db2.gz ZWIPWDJXISCGHG-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC(=O)CN1CCC(C)(C)C1 87256878 572411413 /nfs/dbraw/zinc/41/14/13/572411413.db2.gz SEGGSALITSFDRZ-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CCNCc1cnc([C@@H]2C[C@@H]2C)s1 83809749 572411595 /nfs/dbraw/zinc/41/15/95/572411595.db2.gz LSSWIIYNRNSZBR-IONNQARKSA-N 0 3 196.319 2.376 10 0 AEAEHN CCNCc1cnc([C@H]2C[C@@H]2C)s1 83809750 572411701 /nfs/dbraw/zinc/41/17/01/572411701.db2.gz LSSWIIYNRNSZBR-CBAPKCEASA-N 0 3 196.319 2.376 10 0 AEAEHN Cc1ccc([C@H](C)[NH3+])c(Cl)c1[O-] 107172909 572411782 /nfs/dbraw/zinc/41/17/82/572411782.db2.gz YZGCUWFQVZLCGY-LURJTMIESA-N 0 3 185.654 2.374 10 0 AEAEHN CC[C@@H]([NH3+])Cc1cccc([O-])c1Cl 44404907 572412458 /nfs/dbraw/zinc/41/24/58/572412458.db2.gz ROOGQNDUJHNIJU-MRVPVSSYSA-N 0 3 199.681 2.325 10 0 AEAEHN CCNCc1cnc([C@@H]2C[C@H]2C)s1 83809751 572412844 /nfs/dbraw/zinc/41/28/44/572412844.db2.gz LSSWIIYNRNSZBR-VXNVDRBHSA-N 0 3 196.319 2.376 10 0 AEAEHN CCC[C@@H](N)c1ccc(C)nc1OC 238234819 572413866 /nfs/dbraw/zinc/41/38/66/572413866.db2.gz OWOGEZHUXWCDCV-SNVBAGLBSA-N 0 3 194.278 2.199 10 0 AEAEHN CC[C@H]([NH3+])Cc1cccc([O-])c1Cl 44404903 572413922 /nfs/dbraw/zinc/41/39/22/572413922.db2.gz ROOGQNDUJHNIJU-QMMMGPOBSA-N 0 3 199.681 2.325 10 0 AEAEHN CCCNCc1c[nH]c([C@@H]2C[C@H]2C)n1 83810698 572414466 /nfs/dbraw/zinc/41/44/66/572414466.db2.gz PASUOWOXJCISKV-PSASIEDQSA-N 0 3 193.294 2.033 10 0 AEAEHN CC(C)NCc1c[nH]c([C@H]2C[C@@H]2C)n1 83810701 572415133 /nfs/dbraw/zinc/41/51/33/572415133.db2.gz QNRRGLPLZHNNPN-WPRPVWTQSA-N 0 3 193.294 2.031 10 0 AEAEHN CCOC[C@@H](C)N[C@H](C)c1ccoc1 87290090 572415413 /nfs/dbraw/zinc/41/54/13/572415413.db2.gz GPDRIWNTRHGCLQ-NXEZZACHSA-N 0 3 197.278 2.355 10 0 AEAEHN CC(C)NCc1c[nH]c([C@@H]2C[C@H]2C)n1 83810702 572415932 /nfs/dbraw/zinc/41/59/32/572415932.db2.gz QNRRGLPLZHNNPN-PSASIEDQSA-N 0 3 193.294 2.031 10 0 AEAEHN CCCNCc1c[nH]c([C@H]2C[C@H]2C)n1 83810699 572415952 /nfs/dbraw/zinc/41/59/52/572415952.db2.gz PASUOWOXJCISKV-SCZZXKLOSA-N 0 3 193.294 2.033 10 0 AEAEHN CCOCCNCc1cscc1C 87310601 572415997 /nfs/dbraw/zinc/41/59/97/572415997.db2.gz JYYYKRUBCOPSRH-UHFFFAOYSA-N 0 3 199.319 2.183 10 0 AEAEHN CCOC[C@@H](C)N[C@@H](C)c1ccoc1 87290088 572417417 /nfs/dbraw/zinc/41/74/17/572417417.db2.gz GPDRIWNTRHGCLQ-ZJUUUORDSA-N 0 3 197.278 2.355 10 0 AEAEHN CNC1=N[C@@]2(CCC[C@@H](C)C2)CS1 53098643 572417513 /nfs/dbraw/zinc/41/75/13/572417513.db2.gz QKPGYTNVNJQZBW-PSASIEDQSA-N 0 3 198.335 2.258 10 0 AEAEHN Cc1nsc(C)c1CNC(C)C 76629606 572417556 /nfs/dbraw/zinc/41/75/56/572417556.db2.gz OFSMPEGVQUDOKT-UHFFFAOYSA-N 0 3 184.308 2.258 10 0 AEAEHN CCC[C@@H](N)c1ccc(C(C)=O)cn1 238234202 572418118 /nfs/dbraw/zinc/41/81/18/572418118.db2.gz NFCJIEXNSRLKQA-SNVBAGLBSA-N 0 3 192.262 2.084 10 0 AEAEHN CC[C@@H](C)C[C@@H](NC)c1ncc[nH]1 87341476 572418888 /nfs/dbraw/zinc/41/88/88/572418888.db2.gz AIPWHIPUTOQPDM-RKDXNWHRSA-N 0 3 181.283 2.106 10 0 AEAEHN CCC[C@@H](C)C[C@H](N)c1ncc[nH]1 87340869 572418977 /nfs/dbraw/zinc/41/89/77/572418977.db2.gz KVTWSZWCXGOQHY-BDAKNGLRSA-N 0 3 181.283 2.236 10 0 AEAEHN CCCN[C@H](c1ncc[nH]1)C(C)C 87342394 572419023 /nfs/dbraw/zinc/41/90/23/572419023.db2.gz YTSDUXPZFGQDFM-VIFPVBQESA-N 0 3 181.283 2.106 10 0 AEAEHN CCCN[C@@H](c1ncc[nH]1)[C@@H](C)CC 87342314 572419044 /nfs/dbraw/zinc/41/90/44/572419044.db2.gz HNGXJWMKMVMGLX-VHSXEESVSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](CCC1CC1)c1ncc[nH]1 87342131 572419281 /nfs/dbraw/zinc/41/92/81/572419281.db2.gz FQRWPYYJJHMRFV-SNVBAGLBSA-N 0 3 193.294 2.251 10 0 AEAEHN Cc1ccc2c3c(cn2C)CNCc13 76631799 572419289 /nfs/dbraw/zinc/41/92/89/572419289.db2.gz MIGFKDSFZPAHMW-UHFFFAOYSA-N 0 3 186.258 2.090 10 0 AEAEHN CCCN[C@@H](CCC)c1ncc[nH]1 87342228 572419480 /nfs/dbraw/zinc/41/94/80/572419480.db2.gz YGFTVYNNRABWIV-VIFPVBQESA-N 0 3 181.283 2.251 10 0 AEAEHN CC[C@@H](C)C[C@H](NC)c1ncc[nH]1 87341471 572419485 /nfs/dbraw/zinc/41/94/85/572419485.db2.gz AIPWHIPUTOQPDM-BDAKNGLRSA-N 0 3 181.283 2.106 10 0 AEAEHN CN[C@H](CC1CCCC1)c1ncc[nH]1 87341159 572419507 /nfs/dbraw/zinc/41/95/07/572419507.db2.gz QAYJMBSYAVGPKB-SNVBAGLBSA-N 0 3 193.294 2.251 10 0 AEAEHN CCCN[C@H](CC(C)C)c1ncc[nH]1 87342190 572419543 /nfs/dbraw/zinc/41/95/43/572419543.db2.gz DXMUWVSAZQRMFQ-SNVBAGLBSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](c1ncc[nH]1)C(CC)CC 87342106 572419575 /nfs/dbraw/zinc/41/95/75/572419575.db2.gz OQCLLOMBZMMKFV-JTQLQIEISA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@@H](CC(C)C)c1ncc[nH]1 87341822 572419589 /nfs/dbraw/zinc/41/95/89/572419589.db2.gz JDLCXRZYZMMMLI-VIFPVBQESA-N 0 3 181.283 2.106 10 0 AEAEHN CCC[C@H](C)C[C@H](N)c1ncc[nH]1 87340872 572419606 /nfs/dbraw/zinc/41/96/06/572419606.db2.gz KVTWSZWCXGOQHY-IUCAKERBSA-N 0 3 181.283 2.236 10 0 AEAEHN CCC[C@@H](C)C[C@H](NC)c1ncc[nH]1 87341583 572419656 /nfs/dbraw/zinc/41/96/56/572419656.db2.gz OUAPQWMXKKFVPI-ZJUUUORDSA-N 0 3 195.310 2.497 10 0 AEAEHN CC[C@H](C)C[C@@H](NC)c1ncc[nH]1 87341478 572419797 /nfs/dbraw/zinc/41/97/97/572419797.db2.gz AIPWHIPUTOQPDM-DTWKUNHWSA-N 0 3 181.283 2.106 10 0 AEAEHN CCCN[C@H](c1ncc[nH]1)C(C)(C)C 87342185 572419837 /nfs/dbraw/zinc/41/98/37/572419837.db2.gz KVYLWLGWMYYMDJ-SECBINFHSA-N 0 3 195.310 2.497 10 0 AEAEHN CN[C@H](CCC(C)(C)C)c1ncc[nH]1 87341482 572420185 /nfs/dbraw/zinc/42/01/85/572420185.db2.gz RKJJDZKWXVKXDJ-SECBINFHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@@H](c1ncc[nH]1)[C@H](C)CC 87342016 572420263 /nfs/dbraw/zinc/42/02/63/572420263.db2.gz HHUDZJBZWMGGLN-RKDXNWHRSA-N 0 3 181.283 2.106 10 0 AEAEHN CN[C@H](CCC(C)C)c1ncc[nH]1 87341379 572420284 /nfs/dbraw/zinc/42/02/84/572420284.db2.gz NYGOLZJJAHQLPS-SECBINFHSA-N 0 3 181.283 2.106 10 0 AEAEHN Cc1cc2c3c(cn(C)c3c1)CNC2 76631801 572420549 /nfs/dbraw/zinc/42/05/49/572420549.db2.gz KKXJQGWBQMJZAX-UHFFFAOYSA-N 0 3 186.258 2.090 10 0 AEAEHN CCCN[C@H](c1ncc[nH]1)[C@@H](C)CC 87342316 572420687 /nfs/dbraw/zinc/42/06/87/572420687.db2.gz HNGXJWMKMVMGLX-UWVGGRQHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCCC[C@H](CC)CN1CCCNC1 238797433 572420733 /nfs/dbraw/zinc/42/07/33/572420733.db2.gz BBTFZBBENIZTNE-LBPRGKRZSA-N 0 3 198.354 2.456 10 0 AEAEHN CCN[C@@H](c1ncc[nH]1)[C@@H](C)CC 87342018 572420772 /nfs/dbraw/zinc/42/07/72/572420772.db2.gz HHUDZJBZWMGGLN-DTWKUNHWSA-N 0 3 181.283 2.106 10 0 AEAEHN CN[C@@H](CC1CCCC1)c1ncc[nH]1 87341157 572420707 /nfs/dbraw/zinc/42/07/07/572420707.db2.gz QAYJMBSYAVGPKB-JTQLQIEISA-N 0 3 193.294 2.251 10 0 AEAEHN CCC[C@@H](N)c1ccc(OCC)cn1 238237622 572420877 /nfs/dbraw/zinc/42/08/77/572420877.db2.gz JPISFCHTXJMVMW-SNVBAGLBSA-N 0 3 194.278 2.280 10 0 AEAEHN CCCN[C@@H](c1ncc[nH]1)C(C)C 87342392 572420887 /nfs/dbraw/zinc/42/08/87/572420887.db2.gz YTSDUXPZFGQDFM-SECBINFHSA-N 0 3 181.283 2.106 10 0 AEAEHN CCCN[C@H](CC1CC1)c1ncc[nH]1 87342347 572420907 /nfs/dbraw/zinc/42/09/07/572420907.db2.gz ZYEQHTMEMPTXPR-SNVBAGLBSA-N 0 3 193.294 2.251 10 0 AEAEHN CCC[C@@H](C)C[C@@H](NC)c1ncc[nH]1 87341587 572420948 /nfs/dbraw/zinc/42/09/48/572420948.db2.gz OUAPQWMXKKFVPI-NXEZZACHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](C[C@H](C)CC)c1ncc[nH]1 87341983 572422759 /nfs/dbraw/zinc/42/27/59/572422759.db2.gz ADNOZPSIGRXDDJ-NXEZZACHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCCN[C@@H](c1ncc[nH]1)[C@H](C)CC 87342318 572421163 /nfs/dbraw/zinc/42/11/63/572421163.db2.gz HNGXJWMKMVMGLX-NXEZZACHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCCN[C@H](c1ncc[nH]1)[C@H](C)CC 87342320 572421327 /nfs/dbraw/zinc/42/13/27/572421327.db2.gz HNGXJWMKMVMGLX-ZJUUUORDSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@@H](CCC1CC1)c1ncc[nH]1 87342129 572421381 /nfs/dbraw/zinc/42/13/81/572421381.db2.gz FQRWPYYJJHMRFV-JTQLQIEISA-N 0 3 193.294 2.251 10 0 AEAEHN CCC[C@H](C)C[C@H](NC)c1ncc[nH]1 87341585 572421394 /nfs/dbraw/zinc/42/13/94/572421394.db2.gz OUAPQWMXKKFVPI-UWVGGRQHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](c1ncc[nH]1)[C@H](C)CC 87342013 572421510 /nfs/dbraw/zinc/42/15/10/572421510.db2.gz HHUDZJBZWMGGLN-BDAKNGLRSA-N 0 3 181.283 2.106 10 0 AEAEHN Cc1ccc2c3c(cn(C)c13)CNC2 76631796 572421533 /nfs/dbraw/zinc/42/15/33/572421533.db2.gz KMRHLUYUQQYGSN-UHFFFAOYSA-N 0 3 186.258 2.090 10 0 AEAEHN CCN[C@@H](c1ncc[nH]1)C(CC)CC 87342107 572421663 /nfs/dbraw/zinc/42/16/63/572421663.db2.gz OQCLLOMBZMMKFV-SNVBAGLBSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](CC(C)C)c1ncc[nH]1 87341824 572421707 /nfs/dbraw/zinc/42/17/07/572421707.db2.gz JDLCXRZYZMMMLI-SECBINFHSA-N 0 3 181.283 2.106 10 0 AEAEHN CCN[C@@H](c1ncc[nH]1)C1CCCC1 87341960 572421759 /nfs/dbraw/zinc/42/17/59/572421759.db2.gz XRVVSXRNZQVGGL-SNVBAGLBSA-N 0 3 193.294 2.251 10 0 AEAEHN CCN[C@H](C[C@@H](C)CC)c1ncc[nH]1 87341984 572421840 /nfs/dbraw/zinc/42/18/40/572421840.db2.gz ADNOZPSIGRXDDJ-VHSXEESVSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](c1ncc[nH]1)[C@@H](C)CC 87342015 572421896 /nfs/dbraw/zinc/42/18/96/572421896.db2.gz HHUDZJBZWMGGLN-IUCAKERBSA-N 0 3 181.283 2.106 10 0 AEAEHN CCC(CC)[C@H](NC)c1ncc[nH]1 87341667 572421952 /nfs/dbraw/zinc/42/19/52/572421952.db2.gz SGBLSVXOYGMYSU-VIFPVBQESA-N 0 3 181.283 2.106 10 0 AEAEHN CCC[C@@H](C)C[C@@H](N)c1ncc[nH]1 87340874 572421982 /nfs/dbraw/zinc/42/19/82/572421982.db2.gz KVTWSZWCXGOQHY-RKDXNWHRSA-N 0 3 181.283 2.236 10 0 AEAEHN CN[C@@H](CCC(C)(C)C)c1ncc[nH]1 87341480 572422038 /nfs/dbraw/zinc/42/20/38/572422038.db2.gz RKJJDZKWXVKXDJ-VIFPVBQESA-N 0 3 195.310 2.497 10 0 AEAEHN CCCN[C@@H](CC1CC1)c1ncc[nH]1 87342345 572422095 /nfs/dbraw/zinc/42/20/95/572422095.db2.gz ZYEQHTMEMPTXPR-JTQLQIEISA-N 0 3 193.294 2.251 10 0 AEAEHN CCN[C@@H](c1ncc[nH]1)C(C)(C)C 87341819 572422102 /nfs/dbraw/zinc/42/21/02/572422102.db2.gz MBNKSBYBUMLQEL-QMMMGPOBSA-N 0 3 181.283 2.106 10 0 AEAEHN CCN[C@@H](C[C@@H](C)CC)c1ncc[nH]1 87341981 572422122 /nfs/dbraw/zinc/42/21/22/572422122.db2.gz ADNOZPSIGRXDDJ-UWVGGRQHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](c1ncc[nH]1)C(C)(C)C 87341821 572422197 /nfs/dbraw/zinc/42/21/97/572422197.db2.gz MBNKSBYBUMLQEL-MRVPVSSYSA-N 0 3 181.283 2.106 10 0 AEAEHN CCN[C@H](c1ncc[nH]1)C1CCCC1 87341962 572422215 /nfs/dbraw/zinc/42/22/15/572422215.db2.gz XRVVSXRNZQVGGL-JTQLQIEISA-N 0 3 193.294 2.251 10 0 AEAEHN CN[C@@H](CCC(C)C)c1ncc[nH]1 87341377 572422279 /nfs/dbraw/zinc/42/22/79/572422279.db2.gz NYGOLZJJAHQLPS-VIFPVBQESA-N 0 3 181.283 2.106 10 0 AEAEHN CCC(CC)[C@@H](NC)c1ncc[nH]1 87341669 572422302 /nfs/dbraw/zinc/42/23/02/572422302.db2.gz SGBLSVXOYGMYSU-SECBINFHSA-N 0 3 181.283 2.106 10 0 AEAEHN CCCCC[C@@H](NC)c1ncc[nH]1 87341470 572422467 /nfs/dbraw/zinc/42/24/67/572422467.db2.gz FQYFFOHFDDNZQJ-SECBINFHSA-N 0 3 181.283 2.251 10 0 AEAEHN CCN[C@@H](CC1CCC1)c1ncc[nH]1 87342092 572422482 /nfs/dbraw/zinc/42/24/82/572422482.db2.gz NRAAPVZPTWBRCL-JTQLQIEISA-N 0 3 193.294 2.251 10 0 AEAEHN CC[C@H](C)C[C@H](NC)c1ncc[nH]1 87341474 572422562 /nfs/dbraw/zinc/42/25/62/572422562.db2.gz AIPWHIPUTOQPDM-IUCAKERBSA-N 0 3 181.283 2.106 10 0 AEAEHN CCN[C@H](CC1CCC1)c1ncc[nH]1 87342094 572422567 /nfs/dbraw/zinc/42/25/67/572422567.db2.gz NRAAPVZPTWBRCL-SNVBAGLBSA-N 0 3 193.294 2.251 10 0 AEAEHN CCC[C@H](C)C[C@@H](NC)c1ncc[nH]1 87341589 572422652 /nfs/dbraw/zinc/42/26/52/572422652.db2.gz OUAPQWMXKKFVPI-VHSXEESVSA-N 0 3 195.310 2.497 10 0 AEAEHN N[C@@H](C[C@@H]1CCCOC1)c1ccoc1 689633856 572422693 /nfs/dbraw/zinc/42/26/93/572422693.db2.gz VSCWTERIIGHJMN-ONGXEEELSA-N 0 3 195.262 2.096 10 0 AEAEHN CCCN[C@@H](c1ncc[nH]1)C(C)(C)C 87342183 572422724 /nfs/dbraw/zinc/42/27/24/572422724.db2.gz KVYLWLGWMYYMDJ-VIFPVBQESA-N 0 3 195.310 2.497 10 0 AEAEHN CCCCCC[C@@H](N)c1ncc[nH]1 87340390 572422731 /nfs/dbraw/zinc/42/27/31/572422731.db2.gz KQEGECWPRBGPLV-SECBINFHSA-N 0 3 181.283 2.380 10 0 AEAEHN CCCCCC[C@H](N)c1ncc[nH]1 87340388 572422683 /nfs/dbraw/zinc/42/26/83/572422683.db2.gz KQEGECWPRBGPLV-VIFPVBQESA-N 0 3 181.283 2.380 10 0 AEAEHN CCCN[C@H](CCC)c1ncc[nH]1 87342230 572422803 /nfs/dbraw/zinc/42/28/03/572422803.db2.gz YGFTVYNNRABWIV-SECBINFHSA-N 0 3 181.283 2.251 10 0 AEAEHN CCCN[C@@H](CC(C)C)c1ncc[nH]1 87342187 572422842 /nfs/dbraw/zinc/42/28/42/572422842.db2.gz DXMUWVSAZQRMFQ-JTQLQIEISA-N 0 3 195.310 2.497 10 0 AEAEHN CCc1c(CN)n(C)c2ccccc12 76633229 572423061 /nfs/dbraw/zinc/42/30/61/572423061.db2.gz QLNMTVCXMNSIPN-UHFFFAOYSA-N 0 3 188.274 2.199 10 0 AEAEHN CCN[C@@H](C[C@H](C)CC)c1ncc[nH]1 87341979 572423071 /nfs/dbraw/zinc/42/30/71/572423071.db2.gz ADNOZPSIGRXDDJ-ZJUUUORDSA-N 0 3 195.310 2.497 10 0 AEAEHN CCC[C@@H](N)c1cccc(F)c1CO 238238557 572423081 /nfs/dbraw/zinc/42/30/81/572423081.db2.gz IVJDAUZJCDXFSI-LLVKDONJSA-N 0 3 197.253 2.118 10 0 AEAEHN CCc1oc(C(F)(F)F)cc1CN 77075983 572423705 /nfs/dbraw/zinc/42/37/05/572423705.db2.gz UEHIZCJJQVKJBC-UHFFFAOYSA-N 0 3 193.168 2.320 10 0 AEAEHN CCN[C@@H](CCC(C)C)c1ncc[nH]1 87341922 572423789 /nfs/dbraw/zinc/42/37/89/572423789.db2.gz MUMJHJJTGBRXCF-JTQLQIEISA-N 0 3 195.310 2.497 10 0 AEAEHN CCN[C@H](CCC(C)C)c1ncc[nH]1 87341923 572424041 /nfs/dbraw/zinc/42/40/41/572424041.db2.gz MUMJHJJTGBRXCF-SNVBAGLBSA-N 0 3 195.310 2.497 10 0 AEAEHN CN(C)c1ccncc1NC1CCC1 44480838 572425827 /nfs/dbraw/zinc/42/58/27/572425827.db2.gz KFFAPPVYUXKQLT-UHFFFAOYSA-N 0 3 191.278 2.112 10 0 AEAEHN CCC[C@@H](N)c1cccc(C(C)=O)n1 238237965 572426511 /nfs/dbraw/zinc/42/65/11/572426511.db2.gz HPYUAFSHUGGHLC-SECBINFHSA-N 0 3 192.262 2.084 10 0 AEAEHN CC[C@@H](F)CN(C)[C@H](C)CSC 308019804 572427055 /nfs/dbraw/zinc/42/70/55/572427055.db2.gz TYISASXVGQJSPH-RKDXNWHRSA-N 0 3 193.331 2.418 10 0 AEAEHN Cc1cc2n(c1)-c1cnccc1NC2 76630334 572427115 /nfs/dbraw/zinc/42/71/15/572427115.db2.gz ITMUNEJANGXSJV-UHFFFAOYSA-N 0 3 185.230 2.106 10 0 AEAEHN CNC(C)(C)c1nc2ccccc2[nH]1 61149767 572427383 /nfs/dbraw/zinc/42/73/83/572427383.db2.gz ANUYZKXXHUOBIL-UHFFFAOYSA-N 0 3 189.262 2.017 10 0 AEAEHN CC[C@H](F)CN(C)[C@@H](C)CSC 308019803 572428377 /nfs/dbraw/zinc/42/83/77/572428377.db2.gz TYISASXVGQJSPH-IUCAKERBSA-N 0 3 193.331 2.418 10 0 AEAEHN Cc1cc2n(c1)-c1ccncc1NC2 76630340 572428737 /nfs/dbraw/zinc/42/87/37/572428737.db2.gz BWRUDYJQENVTLE-UHFFFAOYSA-N 0 3 185.230 2.106 10 0 AEAEHN CC[C@H](F)CN(C)[C@H](C)CSC 308019800 572428985 /nfs/dbraw/zinc/42/89/85/572428985.db2.gz TYISASXVGQJSPH-BDAKNGLRSA-N 0 3 193.331 2.418 10 0 AEAEHN FCCNCCCc1ccccc1 83824367 572429527 /nfs/dbraw/zinc/42/95/27/572429527.db2.gz JKJHHKYXLKICOX-UHFFFAOYSA-N 0 3 181.254 2.178 10 0 AEAEHN CC[C@@H](F)CN(C)[C@@H](C)CSC 308019801 572429806 /nfs/dbraw/zinc/42/98/06/572429806.db2.gz TYISASXVGQJSPH-DTWKUNHWSA-N 0 3 193.331 2.418 10 0 AEAEHN COc1cccc(F)c1CNC(C)C 83824281 572429884 /nfs/dbraw/zinc/42/98/84/572429884.db2.gz VHMSFWXABLJEDB-UHFFFAOYSA-N 0 3 197.253 2.332 10 0 AEAEHN CC[C@H]1Cc2c3c(cn2C)CN[C@@H]3C1 76634799 572430303 /nfs/dbraw/zinc/43/03/03/572430303.db2.gz RWRICDORCLHCPL-PSASIEDQSA-N 0 3 190.290 2.142 10 0 AEAEHN CC[C@H]1Cc2c3c(cn2C)CN[C@H]3C1 76634803 572433075 /nfs/dbraw/zinc/43/30/75/572433075.db2.gz RWRICDORCLHCPL-SCZZXKLOSA-N 0 3 190.290 2.142 10 0 AEAEHN CCCNCc1c(F)cccc1OC 83826105 572430728 /nfs/dbraw/zinc/43/07/28/572430728.db2.gz PLCCRSSTPDTAAF-UHFFFAOYSA-N 0 3 197.253 2.334 10 0 AEAEHN CCC[C@@H](N)c1cccc(O)c1OC 238238898 572431549 /nfs/dbraw/zinc/43/15/49/572431549.db2.gz IIUMVUPFTCNUCN-SECBINFHSA-N 0 3 195.262 2.201 10 0 AEAEHN CCCNCc1cnoc1C1(C)CC1 87368824 572431452 /nfs/dbraw/zinc/43/14/52/572431452.db2.gz ITXXKNUGNDNIJE-UHFFFAOYSA-N 0 3 194.278 2.226 10 0 AEAEHN Cn1cc2c3c1CC(C)(C)C[C@@H]3NC2 76634796 572431652 /nfs/dbraw/zinc/43/16/52/572431652.db2.gz LMVZDPVRCSPBHO-VIFPVBQESA-N 0 3 190.290 2.142 10 0 AEAEHN CC(C)NCc1cnoc1C1(C)CC1 87368828 572431717 /nfs/dbraw/zinc/43/17/17/572431717.db2.gz PZGHPQHNUFRIQH-UHFFFAOYSA-N 0 3 194.278 2.224 10 0 AEAEHN CC[C@@H]1Cc2c3c(cn2C)CN[C@H]3C1 76634801 572432565 /nfs/dbraw/zinc/43/25/65/572432565.db2.gz RWRICDORCLHCPL-WPRPVWTQSA-N 0 3 190.290 2.142 10 0 AEAEHN Cn1cc2c3c1CC(C)(C)C[C@H]3NC2 76634794 572432828 /nfs/dbraw/zinc/43/28/28/572432828.db2.gz LMVZDPVRCSPBHO-SECBINFHSA-N 0 3 190.290 2.142 10 0 AEAEHN NC1(c2nc(-c3ccccc3)c[nH]2)CC1 83837670 572433494 /nfs/dbraw/zinc/43/34/94/572433494.db2.gz BOIKPLQYXDRICD-UHFFFAOYSA-N 0 3 199.257 2.025 10 0 AEAEHN CC[C@@H]1Cc2c3c(cn2C)CN[C@@H]3C1 76634797 572433509 /nfs/dbraw/zinc/43/35/09/572433509.db2.gz RWRICDORCLHCPL-WCBMZHEXSA-N 0 3 190.290 2.142 10 0 AEAEHN CCCC[C@H](N)c1coc(C)n1 308021997 572433577 /nfs/dbraw/zinc/43/35/77/572433577.db2.gz UYNFVHFUUHWESG-QMMMGPOBSA-N 0 3 168.240 2.173 10 0 AEAEHN Cc1cccc(CNCC2CCC2)n1 83838655 572433664 /nfs/dbraw/zinc/43/36/64/572433664.db2.gz ZKIFJECBPUMUGD-UHFFFAOYSA-N 0 3 190.290 2.280 10 0 AEAEHN CCCC[C@@H](N)c1coc(C)n1 308021996 572433694 /nfs/dbraw/zinc/43/36/94/572433694.db2.gz UYNFVHFUUHWESG-MRVPVSSYSA-N 0 3 168.240 2.173 10 0 AEAEHN Cc1nn(C(C)C)c(C)c1C1(N)CC1 214747654 572435132 /nfs/dbraw/zinc/43/51/32/572435132.db2.gz QTEVMRYIRXYEHV-UHFFFAOYSA-N 0 3 193.294 2.029 10 0 AEAEHN CC(C)C(C)(C)C[C@H](N)c1ncc[nH]1 713250134 572437948 /nfs/dbraw/zinc/43/79/48/572437948.db2.gz TUPPEHWNJQHQFO-VIFPVBQESA-N 0 3 195.310 2.482 10 0 AEAEHN O=C1CCNCC[C@H]1C1CCCCC1 76636670 572438139 /nfs/dbraw/zinc/43/81/39/572438139.db2.gz AEYXLBLNPYUJCX-NSHDSACASA-N 0 3 195.306 2.135 10 0 AEAEHN O=C1CCCNC[C@@H]1C1CCCCC1 76636668 572438166 /nfs/dbraw/zinc/43/81/66/572438166.db2.gz OUQKTPSOHQZGBI-LLVKDONJSA-N 0 3 195.306 2.135 10 0 AEAEHN CCC(C)(C)C[C@H](NC)c1ncc[nH]1 713249416 572438298 /nfs/dbraw/zinc/43/82/98/572438298.db2.gz QNWKCQAQKBUNIV-VIFPVBQESA-N 0 3 195.310 2.497 10 0 AEAEHN CCN(CC)Cc1c(N)csc1C 74236838 572438372 /nfs/dbraw/zinc/43/83/72/572438372.db2.gz MVUJWPNEDDXINK-UHFFFAOYSA-N 0 3 198.335 2.481 10 0 AEAEHN Cc1nsc(C)c1CNC1CCC1 76636995 572438868 /nfs/dbraw/zinc/43/88/68/572438868.db2.gz DUQZKUJFTLZBCT-UHFFFAOYSA-N 0 3 196.319 2.402 10 0 AEAEHN c1cc(CNCCC2CC2)co1 83893846 572438978 /nfs/dbraw/zinc/43/89/78/572438978.db2.gz AJEPDUJPYXNIDP-UHFFFAOYSA-N 0 3 165.236 2.169 10 0 AEAEHN CCC[C@@H](N)c1cnccc1OCC 238240574 572438992 /nfs/dbraw/zinc/43/89/92/572438992.db2.gz WJEGNVXIJBQHOF-SNVBAGLBSA-N 0 3 194.278 2.280 10 0 AEAEHN O=C1CCNCC[C@@H]1C1CCCCC1 76636672 572439072 /nfs/dbraw/zinc/43/90/72/572439072.db2.gz AEYXLBLNPYUJCX-LLVKDONJSA-N 0 3 195.306 2.135 10 0 AEAEHN CCC(C)(C)C[C@H](N)c1ccncn1 713250059 572439096 /nfs/dbraw/zinc/43/90/96/572439096.db2.gz SLJSXIQASAFDQC-VIFPVBQESA-N 0 3 193.294 2.303 10 0 AEAEHN O=C1CCCNC[C@H]1C1CCCCC1 76636666 572440562 /nfs/dbraw/zinc/44/05/62/572440562.db2.gz OUQKTPSOHQZGBI-NSHDSACASA-N 0 3 195.306 2.135 10 0 AEAEHN CCC(C)(C)C[C@@H](NC)c1ncc[nH]1 713249410 572441186 /nfs/dbraw/zinc/44/11/86/572441186.db2.gz QNWKCQAQKBUNIV-SECBINFHSA-N 0 3 195.310 2.497 10 0 AEAEHN NC[C@@H](O)c1sccc1C1CCC1 74239036 572441193 /nfs/dbraw/zinc/44/11/93/572441193.db2.gz VSJSCRYJDJOTLU-SECBINFHSA-N 0 3 197.303 2.008 10 0 AEAEHN CCC(C)(C)C[C@@H](N)c1ccncn1 713250056 572440907 /nfs/dbraw/zinc/44/09/07/572440907.db2.gz SLJSXIQASAFDQC-SECBINFHSA-N 0 3 193.294 2.303 10 0 AEAEHN NCc1ccc(N2CCCCC2)s1 76637004 572441083 /nfs/dbraw/zinc/44/10/83/572441083.db2.gz BURJITAUZAUJTL-UHFFFAOYSA-N 0 3 196.319 2.197 10 0 AEAEHN CC(C)C(C)(C)C[C@@H](N)c1ncc[nH]1 713250132 572441556 /nfs/dbraw/zinc/44/15/56/572441556.db2.gz TUPPEHWNJQHQFO-SECBINFHSA-N 0 3 195.310 2.482 10 0 AEAEHN CCc1ccsc1[C@@H](N)C(C)(C)O 74214530 572444846 /nfs/dbraw/zinc/44/48/46/572444846.db2.gz MXBYFKWAUJGPHM-SECBINFHSA-N 0 3 199.319 2.081 10 0 AEAEHN CCC(O)(CC)[C@@H](N)c1cccs1 74214541 572445400 /nfs/dbraw/zinc/44/54/00/572445400.db2.gz YGRUNFGUNJOSQR-VIFPVBQESA-N 0 3 199.319 2.299 10 0 AEAEHN NC[C@H](O)c1sccc1C1CCC1 74239037 572443610 /nfs/dbraw/zinc/44/36/10/572443610.db2.gz VSJSCRYJDJOTLU-VIFPVBQESA-N 0 3 197.303 2.008 10 0 AEAEHN NCc1nccc2ccc3c(c12)CCC3 74237641 572443795 /nfs/dbraw/zinc/44/37/95/572443795.db2.gz SEADPSZWTLEIDG-UHFFFAOYSA-N 0 3 198.269 2.182 10 0 AEAEHN CC[C@@](C)(O)[C@H](N)c1cscc1C 74214535 572445415 /nfs/dbraw/zinc/44/54/15/572445415.db2.gz CZORWMOFRVWRPM-NXEZZACHSA-N 0 3 199.319 2.217 10 0 AEAEHN N[C@H]1CCCNc2c(F)cc(F)cc21 74238501 572445682 /nfs/dbraw/zinc/44/56/82/572445682.db2.gz JTCVXGDTLLMPAA-VIFPVBQESA-N 0 3 198.216 2.170 10 0 AEAEHN CCCc1cc([C@@H](O)CN)sc1C 74214550 572445926 /nfs/dbraw/zinc/44/59/26/572445926.db2.gz WCAVZZUYKUDWEY-VIFPVBQESA-N 0 3 199.319 2.001 10 0 AEAEHN CC[C@](C)(O)[C@@H](N)c1cscc1C 74214536 572445955 /nfs/dbraw/zinc/44/59/55/572445955.db2.gz CZORWMOFRVWRPM-UWVGGRQHSA-N 0 3 199.319 2.217 10 0 AEAEHN N[C@@H]1CCCNc2c(F)cc(F)cc21 74238500 572446012 /nfs/dbraw/zinc/44/60/12/572446012.db2.gz JTCVXGDTLLMPAA-SECBINFHSA-N 0 3 198.216 2.170 10 0 AEAEHN CCC(O)(CC)[C@H](N)c1cccs1 74214540 572446228 /nfs/dbraw/zinc/44/62/28/572446228.db2.gz YGRUNFGUNJOSQR-SECBINFHSA-N 0 3 199.319 2.299 10 0 AEAEHN C[C@@H]1CCC[C@@H](C)N1CC(=O)C1CC1 68894200 572446297 /nfs/dbraw/zinc/44/62/97/572446297.db2.gz SNQSMQIKUGNNKR-NXEZZACHSA-N 0 3 195.306 2.228 10 0 AEAEHN CCCc1cc([C@H](O)CN)sc1C 74214549 572446360 /nfs/dbraw/zinc/44/63/60/572446360.db2.gz WCAVZZUYKUDWEY-SECBINFHSA-N 0 3 199.319 2.001 10 0 AEAEHN C[C@H]1CCCN(CC(=O)C2CC2)[C@@H]1C 68896857 572446394 /nfs/dbraw/zinc/44/63/94/572446394.db2.gz QHEOQOKNFGXMJI-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN NCc1nccc2cc3occc3cc12 74238304 572446418 /nfs/dbraw/zinc/44/64/18/572446418.db2.gz PJIJVGABKPBHSO-UHFFFAOYSA-N 0 3 198.225 2.440 10 0 AEAEHN CC[C@@](C)(O)[C@@H](N)c1cscc1C 74214539 572446633 /nfs/dbraw/zinc/44/66/33/572446633.db2.gz CZORWMOFRVWRPM-VHSXEESVSA-N 0 3 199.319 2.217 10 0 AEAEHN NCc1nccc2oc3ccccc3c12 74238307 572446642 /nfs/dbraw/zinc/44/66/42/572446642.db2.gz JTCNTPLNUZNGMI-UHFFFAOYSA-N 0 3 198.225 2.440 10 0 AEAEHN NCc1nccc2ccc3occc3c12 74238305 572446778 /nfs/dbraw/zinc/44/67/78/572446778.db2.gz BFQPFKAKDKQAJF-UHFFFAOYSA-N 0 3 198.225 2.440 10 0 AEAEHN CCC(CC)NCc1cnc(C)cn1 61320162 572446827 /nfs/dbraw/zinc/44/68/27/572446827.db2.gz OPPLDSUNSPCTIJ-UHFFFAOYSA-N 0 3 193.294 2.063 10 0 AEAEHN CCC[C@H](C(C)C)N1CCC(=O)CC1 74238793 572446910 /nfs/dbraw/zinc/44/69/10/572446910.db2.gz ALHCORKAWHQODK-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCc1ccsc1[C@H](N)C(C)(C)O 74214528 572447165 /nfs/dbraw/zinc/44/71/65/572447165.db2.gz MXBYFKWAUJGPHM-VIFPVBQESA-N 0 3 199.319 2.081 10 0 AEAEHN C[C@H]1CCC[C@@H](C)N1CC(=O)C1CC1 68894195 572447417 /nfs/dbraw/zinc/44/74/17/572447417.db2.gz SNQSMQIKUGNNKR-AOOOYVTPSA-N 0 3 195.306 2.228 10 0 AEAEHN CC[C@](C)(O)[C@H](N)c1cscc1C 74214532 572447520 /nfs/dbraw/zinc/44/75/20/572447520.db2.gz CZORWMOFRVWRPM-ZJUUUORDSA-N 0 3 199.319 2.217 10 0 AEAEHN CCCC(=O)[C@@H](C)N(CC)CC 238240674 572447745 /nfs/dbraw/zinc/44/77/45/572447745.db2.gz FQLVTYWJQQOHKK-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN C[C@H]1CCC[C@H](C)N1CC(=O)C1CC1 68894197 572447697 /nfs/dbraw/zinc/44/76/97/572447697.db2.gz SNQSMQIKUGNNKR-UWVGGRQHSA-N 0 3 195.306 2.228 10 0 AEAEHN NCc1nccc2ccc3ccoc3c12 74238310 572447751 /nfs/dbraw/zinc/44/77/51/572447751.db2.gz NLYNMMGYHDPKFW-UHFFFAOYSA-N 0 3 198.225 2.440 10 0 AEAEHN C[C@@H]1CCCN(CC(=O)C2CC2)[C@@H]1C 68896853 572449066 /nfs/dbraw/zinc/44/90/66/572449066.db2.gz QHEOQOKNFGXMJI-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN CN(CC(=O)C1CC1)CC1CCCC1 68897532 572449277 /nfs/dbraw/zinc/44/92/77/572449277.db2.gz DCEOSWBSWPTJGS-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CC1(C)CCN(CC(=O)C2CC2)CC1 68897060 572450365 /nfs/dbraw/zinc/45/03/65/572450365.db2.gz PKMRIGRCNDLRKL-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CCc1nc(CC)c([C@@H](N)C(C)C)o1 74241278 572450775 /nfs/dbraw/zinc/45/07/75/572450775.db2.gz FHLNIMIUIFNZHI-JTQLQIEISA-N 0 3 196.294 2.455 10 0 AEAEHN Nc1cc(CN2CCCCC2)cs1 74240945 572450959 /nfs/dbraw/zinc/45/09/59/572450959.db2.gz LXCGZZOMIVJQOJ-UHFFFAOYSA-N 0 3 196.319 2.316 10 0 AEAEHN N[C@@H](CCC1CC1)c1ccoc1 83938548 572451012 /nfs/dbraw/zinc/45/10/12/572451012.db2.gz NEWDRVZZDGQSBS-JTQLQIEISA-N 0 3 165.236 2.470 10 0 AEAEHN N[C@H](CCC1CC1)c1ccco1 83938214 572451030 /nfs/dbraw/zinc/45/10/30/572451030.db2.gz CIXFMORHJIKTCL-SECBINFHSA-N 0 3 165.236 2.470 10 0 AEAEHN CCC[C@H](N)c1ccc(OCC)cn1 238248227 572452012 /nfs/dbraw/zinc/45/20/12/572452012.db2.gz JPISFCHTXJMVMW-JTQLQIEISA-N 0 3 194.278 2.280 10 0 AEAEHN Cc1nc(CC(C)C)oc1C(C)(C)N 74241261 572452112 /nfs/dbraw/zinc/45/21/12/572452112.db2.gz APOKHQKQFOPJAX-UHFFFAOYSA-N 0 3 196.294 2.375 10 0 AEAEHN Cc1nc(C(C)(C)C)oc1C(C)(C)N 74241259 572452171 /nfs/dbraw/zinc/45/21/71/572452171.db2.gz YTCQPFMTDHQCEO-UHFFFAOYSA-N 0 3 196.294 2.474 10 0 AEAEHN N[C@H](CCC1CC1)c1ccoc1 83938547 572452402 /nfs/dbraw/zinc/45/24/02/572452402.db2.gz NEWDRVZZDGQSBS-SNVBAGLBSA-N 0 3 165.236 2.470 10 0 AEAEHN N[C@H](CCC1CC1)c1ccccn1 83937165 572452431 /nfs/dbraw/zinc/45/24/31/572452431.db2.gz GJNYKRALTKYGAT-SNVBAGLBSA-N 0 3 176.263 2.272 10 0 AEAEHN N[C@@H](CCC1CC1)c1ccccn1 83937168 572453101 /nfs/dbraw/zinc/45/31/01/572453101.db2.gz GJNYKRALTKYGAT-JTQLQIEISA-N 0 3 176.263 2.272 10 0 AEAEHN N[C@@H](CCC1CC1)c1ccco1 83938216 572453243 /nfs/dbraw/zinc/45/32/43/572453243.db2.gz CIXFMORHJIKTCL-VIFPVBQESA-N 0 3 165.236 2.470 10 0 AEAEHN CCC[C@H](N)c1cc(F)ccc1CO 238245012 572453414 /nfs/dbraw/zinc/45/34/14/572453414.db2.gz UQSXJIDOAZWUOK-NSHDSACASA-N 0 3 197.253 2.118 10 0 AEAEHN Cc1scc(CN2CCCC2)c1N 74240942 572453525 /nfs/dbraw/zinc/45/35/25/572453525.db2.gz FVKNLTDPFZBUKG-UHFFFAOYSA-N 0 3 196.319 2.235 10 0 AEAEHN NCc1cnsc1-c1cccs1 74241036 572454299 /nfs/dbraw/zinc/45/42/99/572454299.db2.gz MZVZUGZGVSREOK-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC(=O)[C@@H]1CCCCN1CCC1CC1 83926742 572455236 /nfs/dbraw/zinc/45/52/36/572455236.db2.gz HETBERAIBJUYQO-LBPRGKRZSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC[C@H](N)c1cccc(C(C)=O)n1 238248433 572455266 /nfs/dbraw/zinc/45/52/66/572455266.db2.gz HPYUAFSHUGGHLC-VIFPVBQESA-N 0 3 192.262 2.084 10 0 AEAEHN Cc1cccc(CNCCC2CC2)n1 83926509 572455316 /nfs/dbraw/zinc/45/53/16/572455316.db2.gz ZTXLSHOMDUOYAE-UHFFFAOYSA-N 0 3 190.290 2.280 10 0 AEAEHN CCCOc1cc([C@@H](C)NC)ccn1 87414101 572455388 /nfs/dbraw/zinc/45/53/88/572455388.db2.gz MJLPUJPBJCEMDY-SECBINFHSA-N 0 3 194.278 2.151 10 0 AEAEHN CN[C@H](C)c1ccnc(OC(C)C)c1 87414051 572455479 /nfs/dbraw/zinc/45/54/79/572455479.db2.gz INFBDJBXGCZYFG-SECBINFHSA-N 0 3 194.278 2.149 10 0 AEAEHN CN[C@@H](C)c1ccnc(OC(C)C)c1 87414052 572455804 /nfs/dbraw/zinc/45/58/04/572455804.db2.gz INFBDJBXGCZYFG-VIFPVBQESA-N 0 3 194.278 2.149 10 0 AEAEHN N[C@@H](CC(F)(F)F)c1cnsc1 74242826 572456045 /nfs/dbraw/zinc/45/60/45/572456045.db2.gz LADHBWPXIHOEOF-YFKPBYRVSA-N 0 3 196.197 2.095 10 0 AEAEHN CC(=O)[C@H]1CCCCN1CCC1CC1 83926743 572456102 /nfs/dbraw/zinc/45/61/02/572456102.db2.gz HETBERAIBJUYQO-GFCCVEGCSA-N 0 3 195.306 2.230 10 0 AEAEHN CCn1ccnc1NCCC1CC1 83911233 572456594 /nfs/dbraw/zinc/45/65/94/572456594.db2.gz QGVPCXASOUBDCD-UHFFFAOYSA-N 0 3 179.267 2.115 10 0 AEAEHN CC[C@H]1CSC(NCCC2CC2)=N1 83911768 572456943 /nfs/dbraw/zinc/45/69/43/572456943.db2.gz KNIVUNHQTZPSEP-VIFPVBQESA-N 0 3 198.335 2.258 10 0 AEAEHN CCCOc1cc([C@H](C)NC)ccn1 87414102 572457074 /nfs/dbraw/zinc/45/70/74/572457074.db2.gz MJLPUJPBJCEMDY-VIFPVBQESA-N 0 3 194.278 2.151 10 0 AEAEHN CC[C@@H]1CSC(NCCC2CC2)=N1 83911766 572457417 /nfs/dbraw/zinc/45/74/17/572457417.db2.gz KNIVUNHQTZPSEP-SECBINFHSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H](N)c1cc(C(F)(F)F)ns1 74242823 572457618 /nfs/dbraw/zinc/45/76/18/572457618.db2.gz GGARHPSTJDXDGU-VKHMYHEASA-N 0 3 196.197 2.182 10 0 AEAEHN CN/C=C(\C)c1ccc(OC)cc1 308028249 572457764 /nfs/dbraw/zinc/45/77/64/572457764.db2.gz ZGYMCPQSMWERPU-CMDGGOBGSA-N 0 3 177.247 2.275 10 0 AEAEHN NC1(c2nccc3ccccc23)CC1 68959101 572458133 /nfs/dbraw/zinc/45/81/33/572458133.db2.gz SWKARYJQYFYRFC-UHFFFAOYSA-N 0 3 184.242 2.183 10 0 AEAEHN NCc1ccccc1OCCC1CC1 83926021 572458182 /nfs/dbraw/zinc/45/81/82/572458182.db2.gz ZJIRUWBOPUVXSP-UHFFFAOYSA-N 0 3 191.274 2.324 10 0 AEAEHN N[C@H](CC(F)(F)F)c1cnsc1 74242825 572458354 /nfs/dbraw/zinc/45/83/54/572458354.db2.gz LADHBWPXIHOEOF-RXMQYKEDSA-N 0 3 196.197 2.095 10 0 AEAEHN CCC[C@H](N)c1ncc2sccn12 74243130 572460796 /nfs/dbraw/zinc/46/07/96/572460796.db2.gz GCPQEKTZAJNMMO-ZETCQYMHSA-N 0 3 195.291 2.196 10 0 AEAEHN CC[C@H](NC)c1nc2ccccc2o1 44626281 572460816 /nfs/dbraw/zinc/46/08/16/572460816.db2.gz CWABUMTUMANBCM-QMMMGPOBSA-N 0 3 190.246 2.498 10 0 AEAEHN CCC[C@@H](N)c1ncc2sccn12 74243132 572459152 /nfs/dbraw/zinc/45/91/52/572459152.db2.gz GCPQEKTZAJNMMO-SSDOTTSWSA-N 0 3 195.291 2.196 10 0 AEAEHN CC[C@@H](NC)c1nc2ccccc2[nH]1 44623632 572459359 /nfs/dbraw/zinc/45/93/59/572459359.db2.gz MIIMQZZJEFOFIS-MRVPVSSYSA-N 0 3 189.262 2.233 10 0 AEAEHN CC(C)Cc1cc([C@@H](N)C(C)C)[nH]n1 74243024 572459450 /nfs/dbraw/zinc/45/94/50/572459450.db2.gz ALNWEZJZUKIWRH-NSHDSACASA-N 0 3 195.310 2.264 10 0 AEAEHN CC[C@@H](NC)c1nc2ccccc2o1 44626283 572459589 /nfs/dbraw/zinc/45/95/89/572459589.db2.gz CWABUMTUMANBCM-MRVPVSSYSA-N 0 3 190.246 2.498 10 0 AEAEHN Cc1nc(C)c([C@@H](N)CCC(C)C)[nH]1 74243054 572459726 /nfs/dbraw/zinc/45/97/26/572459726.db2.gz AHCJWHVERTWARS-JTQLQIEISA-N 0 3 195.310 2.463 10 0 AEAEHN Cc1cn(C)c([C@@H](N)CCC(C)C)n1 74243039 572459799 /nfs/dbraw/zinc/45/97/99/572459799.db2.gz WSVGTHLIGCGMPF-JTQLQIEISA-N 0 3 195.310 2.165 10 0 AEAEHN Cc1nc([C@H](N)CCC(C)C)cn1C 74243047 572459990 /nfs/dbraw/zinc/45/99/90/572459990.db2.gz IPXOQACGQUKUCJ-SNVBAGLBSA-N 0 3 195.310 2.165 10 0 AEAEHN Cc1cnc([C@H](N)CCC(C)C)n1C 74243028 572460062 /nfs/dbraw/zinc/46/00/62/572460062.db2.gz CSHPSWBTNHKYPK-SNVBAGLBSA-N 0 3 195.310 2.165 10 0 AEAEHN NCc1c(C2CC2)oc2c1CSC2 214826131 572460129 /nfs/dbraw/zinc/46/01/29/572460129.db2.gz HITUDAULDZXSLT-UHFFFAOYSA-N 0 3 195.287 2.363 10 0 AEAEHN CC[C@@H](N)c1nc2sccn2c1C 74243168 572460301 /nfs/dbraw/zinc/46/03/01/572460301.db2.gz QZRHKDRDJMYQPU-SSDOTTSWSA-N 0 3 195.291 2.114 10 0 AEAEHN CC[C@@H](N)c1ncc2scc(C)n12 74243120 572460395 /nfs/dbraw/zinc/46/03/95/572460395.db2.gz PGXMKSNALGSRFY-SSDOTTSWSA-N 0 3 195.291 2.114 10 0 AEAEHN Cc1n[nH]c([C@H](N)CCC(C)C)c1C 74243041 572460651 /nfs/dbraw/zinc/46/06/51/572460651.db2.gz JWVCUKKHKORNPW-SNVBAGLBSA-N 0 3 195.310 2.463 10 0 AEAEHN CC[C@H](NC)c1nc2ccccc2[nH]1 44623629 572461112 /nfs/dbraw/zinc/46/11/12/572461112.db2.gz MIIMQZZJEFOFIS-QMMMGPOBSA-N 0 3 189.262 2.233 10 0 AEAEHN Cc1nc(C)c([C@H](N)CCC(C)C)[nH]1 74243053 572461266 /nfs/dbraw/zinc/46/12/66/572461266.db2.gz AHCJWHVERTWARS-SNVBAGLBSA-N 0 3 195.310 2.463 10 0 AEAEHN CCC[C@H](N)c1ncn2ccsc12 74243164 572461300 /nfs/dbraw/zinc/46/13/00/572461300.db2.gz CGQJKTLOLVXVPE-ZETCQYMHSA-N 0 3 195.291 2.196 10 0 AEAEHN CC(C)Cc1nc([C@@H](N)C(C)C)c[nH]1 74243011 572461426 /nfs/dbraw/zinc/46/14/26/572461426.db2.gz YHXNLZJPOZHDFF-NSHDSACASA-N 0 3 195.310 2.264 10 0 AEAEHN CC(C)Cc1c[nH]c([C@@H](N)C(C)C)n1 74243008 572461590 /nfs/dbraw/zinc/46/15/90/572461590.db2.gz SXDPGNAPQPBAGV-JTQLQIEISA-N 0 3 195.310 2.264 10 0 AEAEHN CCc1n[nH]c([C@H](N)CC(C)C)c1C 74243016 572461707 /nfs/dbraw/zinc/46/17/07/572461707.db2.gz KTBPMBLUAUBJTC-SECBINFHSA-N 0 3 195.310 2.326 10 0 AEAEHN CCC[C@H](N)c1n[nH]c2ccsc12 74243156 572461963 /nfs/dbraw/zinc/46/19/63/572461963.db2.gz NPMPOAFYRRPANO-LURJTMIESA-N 0 3 195.291 2.424 10 0 AEAEHN CC[C@H](N)c1ncc2scc(C)n12 74243118 572462140 /nfs/dbraw/zinc/46/21/40/572462140.db2.gz PGXMKSNALGSRFY-ZETCQYMHSA-N 0 3 195.291 2.114 10 0 AEAEHN Cc1cnc([C@@H](N)CCC(C)C)n1C 74243029 572462156 /nfs/dbraw/zinc/46/21/56/572462156.db2.gz CSHPSWBTNHKYPK-JTQLQIEISA-N 0 3 195.310 2.165 10 0 AEAEHN CC(C)[C@H](N)c1n[nH]c2ccsc12 74243159 572462202 /nfs/dbraw/zinc/46/22/02/572462202.db2.gz ALQVWPJKYNGPNN-ZETCQYMHSA-N 0 3 195.291 2.280 10 0 AEAEHN Cc1cn(C)c([C@H](N)CCC(C)C)n1 74243038 572462358 /nfs/dbraw/zinc/46/23/58/572462358.db2.gz WSVGTHLIGCGMPF-SNVBAGLBSA-N 0 3 195.310 2.165 10 0 AEAEHN CCC[C@@H](N)c1ncn2ccsc12 74243165 572462378 /nfs/dbraw/zinc/46/23/78/572462378.db2.gz CGQJKTLOLVXVPE-SSDOTTSWSA-N 0 3 195.291 2.196 10 0 AEAEHN CCC[C@@H](N)c1n[nH]c2ccsc12 74243158 572462401 /nfs/dbraw/zinc/46/24/01/572462401.db2.gz NPMPOAFYRRPANO-ZCFIWIBFSA-N 0 3 195.291 2.424 10 0 AEAEHN Cn1cnc([C@@H](N)CCC(C)(C)C)c1 74243025 572462428 /nfs/dbraw/zinc/46/24/28/572462428.db2.gz ISSMQQFGLYVDFI-VIFPVBQESA-N 0 3 195.310 2.246 10 0 AEAEHN CCCn1nccc1[C@H]1CCCCN1 69027344 572462484 /nfs/dbraw/zinc/46/24/84/572462484.db2.gz BJEDVDDYAOUSDV-SNVBAGLBSA-N 0 3 193.294 2.108 10 0 AEAEHN CC(C)Cc1nc([C@H](N)C(C)C)c[nH]1 74243009 572462559 /nfs/dbraw/zinc/46/25/59/572462559.db2.gz YHXNLZJPOZHDFF-LLVKDONJSA-N 0 3 195.310 2.264 10 0 AEAEHN Cn1cnc([C@H](N)CCC(C)(C)C)c1 74243027 572462694 /nfs/dbraw/zinc/46/26/94/572462694.db2.gz ISSMQQFGLYVDFI-SECBINFHSA-N 0 3 195.310 2.246 10 0 AEAEHN Cc1n[nH]c([C@@H](N)CCC(C)C)c1C 74243042 572462768 /nfs/dbraw/zinc/46/27/68/572462768.db2.gz JWVCUKKHKORNPW-JTQLQIEISA-N 0 3 195.310 2.463 10 0 AEAEHN CCCn1nccc1[C@@H]1CCCCN1 69027339 572464269 /nfs/dbraw/zinc/46/42/69/572464269.db2.gz BJEDVDDYAOUSDV-JTQLQIEISA-N 0 3 193.294 2.108 10 0 AEAEHN NCc1[nH]ccc2nc3ccccc3c1-2 74239882 572468869 /nfs/dbraw/zinc/46/88/69/572468869.db2.gz PQRVMTDEFVYCBB-UHFFFAOYSA-N 0 3 197.241 2.175 10 0 AEAEHN CCCC[C@@H](CC)CN1CCCNC1 238258296 572469444 /nfs/dbraw/zinc/46/94/44/572469444.db2.gz BBTFZBBENIZTNE-GFCCVEGCSA-N 0 3 198.354 2.456 10 0 AEAEHN c1nsc2c1CNCC21CCCC1 74245654 572470217 /nfs/dbraw/zinc/47/02/17/572470217.db2.gz YRFXAYXVGCUXSX-UHFFFAOYSA-N 0 3 194.303 2.058 10 0 AEAEHN NCc1nccc2ccc3[nH]ccc3c12 74239883 572470555 /nfs/dbraw/zinc/47/05/55/572470555.db2.gz XKLFRTYDQJTONS-UHFFFAOYSA-N 0 3 197.241 2.175 10 0 AEAEHN CCOc1ccncc1[C@@H](N)C(C)C 238260732 572475082 /nfs/dbraw/zinc/47/50/82/572475082.db2.gz UJAZTMIPOQCEBO-NSHDSACASA-N 0 3 194.278 2.136 10 0 AEAEHN CCNCc1c(OC)ccc(C)c1C 238258861 572473409 /nfs/dbraw/zinc/47/34/09/572473409.db2.gz ZFWXABQAWVWPFL-UHFFFAOYSA-N 0 3 193.290 2.422 10 0 AEAEHN CC(C)OCCC[C@H](N)c1ccoc1 689535619 572473641 /nfs/dbraw/zinc/47/36/41/572473641.db2.gz PLOPDFAMLXSINN-NSHDSACASA-N 0 3 197.278 2.485 10 0 AEAEHN CSC[C@@H](C)NC/C=C/Cl 235073088 572473801 /nfs/dbraw/zinc/47/38/01/572473801.db2.gz XNOLIHNQBKEUKS-KGGZQZJCSA-N 0 3 179.716 2.080 10 0 AEAEHN CN[C@H](c1ncccc1Cl)C1CC1 234449155 572473825 /nfs/dbraw/zinc/47/38/25/572473825.db2.gz ILQVAPFRCCZREK-VIFPVBQESA-N 0 3 196.681 2.406 10 0 AEAEHN CC(C)OCCC[C@@H](N)c1ccoc1 689535617 572474679 /nfs/dbraw/zinc/47/46/79/572474679.db2.gz PLOPDFAMLXSINN-LLVKDONJSA-N 0 3 197.278 2.485 10 0 AEAEHN CCOc1ccncc1[C@H](N)C(C)C 238260837 572476455 /nfs/dbraw/zinc/47/64/55/572476455.db2.gz UJAZTMIPOQCEBO-LLVKDONJSA-N 0 3 194.278 2.136 10 0 AEAEHN CC[C@@](N)(COC)c1ccc(C)s1 84007440 572479914 /nfs/dbraw/zinc/47/99/14/572479914.db2.gz AZZAFUNTYQCMQU-SNVBAGLBSA-N 0 3 199.319 2.267 10 0 AEAEHN COC[C@@H](C)CCNCc1ccco1 87421304 572477592 /nfs/dbraw/zinc/47/75/92/572477592.db2.gz VJHGXOWSYLXMQN-JTQLQIEISA-N 0 3 197.278 2.042 10 0 AEAEHN COC[C@H](C)CCNCc1ccco1 87421308 572477755 /nfs/dbraw/zinc/47/77/55/572477755.db2.gz VJHGXOWSYLXMQN-SNVBAGLBSA-N 0 3 197.278 2.042 10 0 AEAEHN O=C(CNC1CC1)CC1CCCCC1 83983261 572477977 /nfs/dbraw/zinc/47/79/77/572477977.db2.gz RUMGLWQRAGQPJW-UHFFFAOYSA-N 0 3 195.306 2.278 10 0 AEAEHN CCN[C@@H](COC)c1ccc(C)s1 84008076 572480364 /nfs/dbraw/zinc/48/03/64/572480364.db2.gz RTWLNLVFEZTFGY-VIFPVBQESA-N 0 3 199.319 2.354 10 0 AEAEHN Cc1occ(CN2CCCCC2)c1N 74246197 572480719 /nfs/dbraw/zinc/48/07/19/572480719.db2.gz HVLZSSGYGULIGM-UHFFFAOYSA-N 0 3 194.278 2.156 10 0 AEAEHN CCCOC[C@@H](N)c1ccc(C)s1 84008190 572480782 /nfs/dbraw/zinc/48/07/82/572480782.db2.gz VRLYGLRMXMHMIF-SECBINFHSA-N 0 3 199.319 2.483 10 0 AEAEHN Nc1cocc1CN1CCCCCC1 74246195 572481320 /nfs/dbraw/zinc/48/13/20/572481320.db2.gz UGRCUDXYGCORFI-UHFFFAOYSA-N 0 3 194.278 2.238 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1ccc(C)s1 84008673 572480924 /nfs/dbraw/zinc/48/09/24/572480924.db2.gz HGCBYWJXFPHGKD-WCBMZHEXSA-N 0 3 199.319 2.481 10 0 AEAEHN CC[C@](N)(COC)c1ccc(C)s1 84007443 572481341 /nfs/dbraw/zinc/48/13/41/572481341.db2.gz AZZAFUNTYQCMQU-JTQLQIEISA-N 0 3 199.319 2.267 10 0 AEAEHN CCO[C@@H](C)[C@H](N)c1ccc(C)s1 84008669 572481214 /nfs/dbraw/zinc/48/12/14/572481214.db2.gz HGCBYWJXFPHGKD-WPRPVWTQSA-N 0 3 199.319 2.481 10 0 AEAEHN CCO[C@H](C)[C@@H](N)c1ccc(C)s1 84008674 572482417 /nfs/dbraw/zinc/48/24/17/572482417.db2.gz HGCBYWJXFPHGKD-PSASIEDQSA-N 0 3 199.319 2.481 10 0 AEAEHN Cc1cc(C)c2nc([C@H](C)N)[nH]c2c1 62152797 572482870 /nfs/dbraw/zinc/48/28/70/572482870.db2.gz AUVZNDISBZYUDD-QMMMGPOBSA-N 0 3 189.262 2.199 10 0 AEAEHN Cc1cc(C)c2[nH]c([C@H](C)N)nc2c1 62152797 572482879 /nfs/dbraw/zinc/48/28/79/572482879.db2.gz AUVZNDISBZYUDD-QMMMGPOBSA-N 0 3 189.262 2.199 10 0 AEAEHN CCO[C@H](C)[C@H](N)c1ccc(C)s1 84008671 572483394 /nfs/dbraw/zinc/48/33/94/572483394.db2.gz HGCBYWJXFPHGKD-SCZZXKLOSA-N 0 3 199.319 2.481 10 0 AEAEHN CCCOC[C@H](N)c1ccc(C)s1 84008189 572483627 /nfs/dbraw/zinc/48/36/27/572483627.db2.gz VRLYGLRMXMHMIF-VIFPVBQESA-N 0 3 199.319 2.483 10 0 AEAEHN CCNCc1ccc(C(C)=O)s1 238263406 572483714 /nfs/dbraw/zinc/48/37/14/572483714.db2.gz KYWRBOBGALKDGP-UHFFFAOYSA-N 0 3 183.276 2.060 10 0 AEAEHN CCNCc1cc(C)c(CC)c(C)n1 238261756 572484370 /nfs/dbraw/zinc/48/43/70/572484370.db2.gz WAHALXCNIRXFMJ-UHFFFAOYSA-N 0 3 192.306 2.370 10 0 AEAEHN Cc1cc(C)c2nc([C@@H](C)N)[nH]c2c1 62152796 572484512 /nfs/dbraw/zinc/48/45/12/572484512.db2.gz AUVZNDISBZYUDD-MRVPVSSYSA-N 0 3 189.262 2.199 10 0 AEAEHN Cc1cc(C)c2[nH]c([C@@H](C)N)nc2c1 62152796 572484517 /nfs/dbraw/zinc/48/45/17/572484517.db2.gz AUVZNDISBZYUDD-MRVPVSSYSA-N 0 3 189.262 2.199 10 0 AEAEHN CCNCc1cc(C)c(CC)cn1 238261772 572484563 /nfs/dbraw/zinc/48/45/63/572484563.db2.gz RUGSFZQPEXWSME-UHFFFAOYSA-N 0 3 178.279 2.062 10 0 AEAEHN CC[C@@H]1NC(C)(C)CCS1 141369299 572484601 /nfs/dbraw/zinc/48/46/01/572484601.db2.gz LLPGCPZCWYAVMS-SSDOTTSWSA-N 0 3 159.298 2.228 10 0 AEAEHN CCO[C@@H](CN)c1ccsc1C 308040767 572484848 /nfs/dbraw/zinc/48/48/48/572484848.db2.gz NIKPGUMOOVIQKA-VIFPVBQESA-N 0 3 185.292 2.093 10 0 AEAEHN CCCOc1cccnc1[C@H](N)CC 238265883 572489296 /nfs/dbraw/zinc/48/92/96/572489296.db2.gz UZHLCGNWSQANEY-SECBINFHSA-N 0 3 194.278 2.280 10 0 AEAEHN CCOC[C@H](N)c1ccc(F)c(C)c1 84063848 572489384 /nfs/dbraw/zinc/48/93/84/572489384.db2.gz DUNWAXAPUNOKJH-NSHDSACASA-N 0 3 197.253 2.170 10 0 AEAEHN CCO[C@H](CN)c1ccsc1C 308040766 572486987 /nfs/dbraw/zinc/48/69/87/572486987.db2.gz NIKPGUMOOVIQKA-SECBINFHSA-N 0 3 185.292 2.093 10 0 AEAEHN CCc1cc(-c2cc(N)ccn2)ccn1 307772044 572487054 /nfs/dbraw/zinc/48/70/54/572487054.db2.gz BZKTVHZJCZVPAU-UHFFFAOYSA-N 0 3 199.257 2.288 10 0 AEAEHN Cc1cn(C)c(Nc2ccccc2)n1 235941313 572487159 /nfs/dbraw/zinc/48/71/59/572487159.db2.gz VOGCGNQVTUGCFP-UHFFFAOYSA-N 0 3 187.246 2.472 10 0 AEAEHN C[C@@H](N)c1cc(-c2ccco2)ns1 74246371 572487185 /nfs/dbraw/zinc/48/71/85/572487185.db2.gz HNEGGAPOOLCTFZ-ZCFIWIBFSA-N 0 3 194.259 2.423 10 0 AEAEHN CCOC[C@H](NC)c1csc(C)c1 84064182 572490346 /nfs/dbraw/zinc/49/03/46/572490346.db2.gz GGPRFWIOJRYIJE-JTQLQIEISA-N 0 3 199.319 2.354 10 0 AEAEHN C[C@H](N)c1cc(-c2ccco2)ns1 74246370 572487910 /nfs/dbraw/zinc/48/79/10/572487910.db2.gz HNEGGAPOOLCTFZ-LURJTMIESA-N 0 3 194.259 2.423 10 0 AEAEHN CCCCc1cccc([C@H](N)CO)c1 238265469 572487966 /nfs/dbraw/zinc/48/79/66/572487966.db2.gz VKHBFRWLANZTEN-GFCCVEGCSA-N 0 3 193.290 2.021 10 0 AEAEHN CCCC(=O)CN1C[C@@H](C)CC[C@@H]1C 84050180 572487989 /nfs/dbraw/zinc/48/79/89/572487989.db2.gz ARMWFKMEWSNTCF-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC(=O)CN1C[C@H](C)CC[C@@H]1C 84050173 572488160 /nfs/dbraw/zinc/48/81/60/572488160.db2.gz ARMWFKMEWSNTCF-MNOVXSKESA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN[C@H](COCC)c1ccco1 84064852 572489447 /nfs/dbraw/zinc/48/94/47/572489447.db2.gz ITUVHAZTACKNLJ-SNVBAGLBSA-N 0 3 197.278 2.357 10 0 AEAEHN Cc1cn(C2C(C)(C)C2(C)C)c(N)n1 235941563 572488197 /nfs/dbraw/zinc/48/81/97/572488197.db2.gz UJTHBVYDKHPZLO-UHFFFAOYSA-N 0 3 193.294 2.381 10 0 AEAEHN CCOC[C@@H](N)c1ccc(F)cc1C 84063978 572489473 /nfs/dbraw/zinc/48/94/73/572489473.db2.gz HYSCTRRLRXITGW-LLVKDONJSA-N 0 3 197.253 2.170 10 0 AEAEHN CCCCc1cccc([C@@H](N)CO)c1 238265318 572488530 /nfs/dbraw/zinc/48/85/30/572488530.db2.gz VKHBFRWLANZTEN-LBPRGKRZSA-N 0 3 193.290 2.021 10 0 AEAEHN CCCCc1ccc([C@@H](C)N)nc1 238264228 572488563 /nfs/dbraw/zinc/48/85/63/572488563.db2.gz ASWIJDPZXDYKCA-SECBINFHSA-N 0 3 178.279 2.444 10 0 AEAEHN CCCCc1ccc([C@H](C)N)nc1 238264665 572488738 /nfs/dbraw/zinc/48/87/38/572488738.db2.gz ASWIJDPZXDYKCA-VIFPVBQESA-N 0 3 178.279 2.444 10 0 AEAEHN CCOC[C@H](N)c1ccccc1Cl 84063845 572488766 /nfs/dbraw/zinc/48/87/66/572488766.db2.gz YOTOZDLTQOUPEX-JTQLQIEISA-N 0 3 199.681 2.376 10 0 AEAEHN CCN[C@@H](c1cncc(C)n1)C(C)C 238266272 572489485 /nfs/dbraw/zinc/48/94/85/572489485.db2.gz PMEOCAFZUXNDMJ-LLVKDONJSA-N 0 3 193.294 2.092 10 0 AEAEHN CCOC[C@H](N)c1csc(C)c1 84063815 572490911 /nfs/dbraw/zinc/49/09/11/572490911.db2.gz IDDTXBXKIIGAFF-VIFPVBQESA-N 0 3 185.292 2.093 10 0 AEAEHN CCOC[C@@H](NC)c1ccc(F)cc1 84064379 572488873 /nfs/dbraw/zinc/48/88/73/572488873.db2.gz GGCOPCIXOKZPEG-LLVKDONJSA-N 0 3 197.253 2.123 10 0 AEAEHN Cc1ccc(-c2sncc2CN)o1 74246365 572488952 /nfs/dbraw/zinc/48/89/52/572488952.db2.gz ZHOWIBAJNAGOLX-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CCCN[C@@H](COCC)c1ccoc1 84064933 572488978 /nfs/dbraw/zinc/48/89/78/572488978.db2.gz JUZOBJSAFXGJET-NSHDSACASA-N 0 3 197.278 2.357 10 0 AEAEHN CCOC[C@H](NC)c1ccc(F)cc1 84064378 572489100 /nfs/dbraw/zinc/48/91/00/572489100.db2.gz GGCOPCIXOKZPEG-NSHDSACASA-N 0 3 197.253 2.123 10 0 AEAEHN CCOC[C@@H](NC)c1ccsc1 84064187 572489184 /nfs/dbraw/zinc/48/91/84/572489184.db2.gz GKWIRPARHYTDRC-SECBINFHSA-N 0 3 185.292 2.045 10 0 AEAEHN CCOC[C@@H](NC)c1ccccc1F 84064391 572489197 /nfs/dbraw/zinc/48/91/97/572489197.db2.gz KUOKKZDEHPXQDF-LLVKDONJSA-N 0 3 197.253 2.123 10 0 AEAEHN CCOC[C@@H](N)c1cc(F)ccc1C 84063920 572489288 /nfs/dbraw/zinc/48/92/88/572489288.db2.gz ZJAVBNFPPTWMOT-LLVKDONJSA-N 0 3 197.253 2.170 10 0 AEAEHN CCOC[C@H](NC)c1ccc(C)s1 84064388 572489423 /nfs/dbraw/zinc/48/94/23/572489423.db2.gz MIXOQRXMSMEVPS-VIFPVBQESA-N 0 3 199.319 2.354 10 0 AEAEHN CCOC[C@H](N)c1ccc(Cl)cc1 84063778 572489641 /nfs/dbraw/zinc/48/96/41/572489641.db2.gz YGMCJNKEBRXXFV-JTQLQIEISA-N 0 3 199.681 2.376 10 0 AEAEHN CCN[C@@H](COCC)c1ccsc1 84064543 572489754 /nfs/dbraw/zinc/48/97/54/572489754.db2.gz KQFVDCSKUINFAP-JTQLQIEISA-N 0 3 199.319 2.435 10 0 AEAEHN CCOC[C@@H](N)c1cc(C)cc(C)c1 84063808 572489766 /nfs/dbraw/zinc/48/97/66/572489766.db2.gz ZAYLMDJNTAMTJZ-GFCCVEGCSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@H](NC)c1cccs1 84064386 572489784 /nfs/dbraw/zinc/48/97/84/572489784.db2.gz AKNBDEZIEDSWTF-QMMMGPOBSA-N 0 3 185.292 2.045 10 0 AEAEHN CCCN[C@@H](COCC)c1ccco1 84064851 572489872 /nfs/dbraw/zinc/48/98/72/572489872.db2.gz ITUVHAZTACKNLJ-JTQLQIEISA-N 0 3 197.278 2.357 10 0 AEAEHN CCCOc1cccnc1[C@@H](C)NC 238265715 572489883 /nfs/dbraw/zinc/48/98/83/572489883.db2.gz CRBXNGWNFWFOML-SECBINFHSA-N 0 3 194.278 2.151 10 0 AEAEHN CCOC[C@@H](NC)c1cccc(F)c1 84064165 572491510 /nfs/dbraw/zinc/49/15/10/572491510.db2.gz UIPZNLJSFTYZFK-LLVKDONJSA-N 0 3 197.253 2.123 10 0 AEAEHN CCN[C@@H](COCC)c1cccs1 84064783 572489962 /nfs/dbraw/zinc/48/99/62/572489962.db2.gz WRDAUBHFGFNGAD-VIFPVBQESA-N 0 3 199.319 2.435 10 0 AEAEHN CCOC[C@@H](NC)c1cccs1 84064387 572490147 /nfs/dbraw/zinc/49/01/47/572490147.db2.gz AKNBDEZIEDSWTF-MRVPVSSYSA-N 0 3 185.292 2.045 10 0 AEAEHN CCOC[C@@H](N)c1csc(C)c1 84063816 572490174 /nfs/dbraw/zinc/49/01/74/572490174.db2.gz IDDTXBXKIIGAFF-SECBINFHSA-N 0 3 185.292 2.093 10 0 AEAEHN CCNCc1cc(C)c(C2CC2)cn1 238269337 572490196 /nfs/dbraw/zinc/49/01/96/572490196.db2.gz WJRFMFJCGGOXEY-UHFFFAOYSA-N 0 3 190.290 2.377 10 0 AEAEHN CCOC[C@H](N)c1cc(F)ccc1C 84063919 572490200 /nfs/dbraw/zinc/49/02/00/572490200.db2.gz ZJAVBNFPPTWMOT-NSHDSACASA-N 0 3 197.253 2.170 10 0 AEAEHN CCOC[C@@H](N)c1cccc(Cl)c1 84064074 572490367 /nfs/dbraw/zinc/49/03/67/572490367.db2.gz SXDWXIZYAKPUOG-SNVBAGLBSA-N 0 3 199.681 2.376 10 0 AEAEHN CCOC[C@@H](N)c1cc(C)ccc1F 84063980 572490436 /nfs/dbraw/zinc/49/04/36/572490436.db2.gz BLAHJMRLZSJHKV-LLVKDONJSA-N 0 3 197.253 2.170 10 0 AEAEHN CCN[C@@H](c1nccnc1C)C(C)C 238266287 572490720 /nfs/dbraw/zinc/49/07/20/572490720.db2.gz JQUKBLDJACZOJU-SNVBAGLBSA-N 0 3 193.294 2.092 10 0 AEAEHN CCCOc1cccnc1[C@@H](N)CC 238265769 572490625 /nfs/dbraw/zinc/49/06/25/572490625.db2.gz UZHLCGNWSQANEY-VIFPVBQESA-N 0 3 194.278 2.280 10 0 AEAEHN CCCN[C@H](COCC)c1ccoc1 84064934 572490728 /nfs/dbraw/zinc/49/07/28/572490728.db2.gz JUZOBJSAFXGJET-LLVKDONJSA-N 0 3 197.278 2.357 10 0 AEAEHN CCOC[C@H](N)c1cccc(C)c1C 84063973 572490769 /nfs/dbraw/zinc/49/07/69/572490769.db2.gz BTPIVEKNLRFGMT-LBPRGKRZSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@H](N)c1cc(C)cc(C)c1 84063807 572490819 /nfs/dbraw/zinc/49/08/19/572490819.db2.gz ZAYLMDJNTAMTJZ-LBPRGKRZSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@@H](N)c1cccc(C)c1C 84063974 572490890 /nfs/dbraw/zinc/49/08/90/572490890.db2.gz BTPIVEKNLRFGMT-GFCCVEGCSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@@H](N)c1ccc(F)c(C)c1 84063849 572490953 /nfs/dbraw/zinc/49/09/53/572490953.db2.gz DUNWAXAPUNOKJH-LLVKDONJSA-N 0 3 197.253 2.170 10 0 AEAEHN CCCOc1ncccc1[C@@H](N)CC 238267329 572491097 /nfs/dbraw/zinc/49/10/97/572491097.db2.gz YTIYHCWWGGDQCC-JTQLQIEISA-N 0 3 194.278 2.280 10 0 AEAEHN CCOC[C@H](N)c1cc(C)ccc1F 84063979 572491104 /nfs/dbraw/zinc/49/11/04/572491104.db2.gz BLAHJMRLZSJHKV-NSHDSACASA-N 0 3 197.253 2.170 10 0 AEAEHN CCCOc1ncccc1[C@H](N)CC 238267457 572491105 /nfs/dbraw/zinc/49/11/05/572491105.db2.gz YTIYHCWWGGDQCC-SNVBAGLBSA-N 0 3 194.278 2.280 10 0 AEAEHN CCOC[C@H](NC)c1ccccc1F 84064390 572491119 /nfs/dbraw/zinc/49/11/19/572491119.db2.gz KUOKKZDEHPXQDF-NSHDSACASA-N 0 3 197.253 2.123 10 0 AEAEHN CCN[C@H](COCC)c1cccs1 84064785 572491157 /nfs/dbraw/zinc/49/11/57/572491157.db2.gz WRDAUBHFGFNGAD-SECBINFHSA-N 0 3 199.319 2.435 10 0 AEAEHN CCOC[C@H](N)c1cccc(Cl)c1 84064073 572491232 /nfs/dbraw/zinc/49/12/32/572491232.db2.gz SXDWXIZYAKPUOG-JTQLQIEISA-N 0 3 199.681 2.376 10 0 AEAEHN CCOC[C@@H](NC)c1ccc(C)s1 84064389 572491361 /nfs/dbraw/zinc/49/13/61/572491361.db2.gz MIXOQRXMSMEVPS-SECBINFHSA-N 0 3 199.319 2.354 10 0 AEAEHN CCOC[C@H](NC)c1ccsc1 84064186 572491608 /nfs/dbraw/zinc/49/16/08/572491608.db2.gz GKWIRPARHYTDRC-VIFPVBQESA-N 0 3 185.292 2.045 10 0 AEAEHN CCOC[C@H](N)c1ccc(F)cc1C 84063977 572491700 /nfs/dbraw/zinc/49/17/00/572491700.db2.gz HYSCTRRLRXITGW-NSHDSACASA-N 0 3 197.253 2.170 10 0 AEAEHN CCOC[C@H](NC)c1cccc(F)c1 84064164 572491866 /nfs/dbraw/zinc/49/18/66/572491866.db2.gz UIPZNLJSFTYZFK-NSHDSACASA-N 0 3 197.253 2.123 10 0 AEAEHN CCOC[C@@H](N)c1ccc(Cl)cc1 84063781 572491910 /nfs/dbraw/zinc/49/19/10/572491910.db2.gz YGMCJNKEBRXXFV-SNVBAGLBSA-N 0 3 199.681 2.376 10 0 AEAEHN CCOC[C@@H](N)c1ccccc1Cl 84063846 572491935 /nfs/dbraw/zinc/49/19/35/572491935.db2.gz YOTOZDLTQOUPEX-SNVBAGLBSA-N 0 3 199.681 2.376 10 0 AEAEHN CCN[C@H](COCC)c1ccsc1 84064544 572491944 /nfs/dbraw/zinc/49/19/44/572491944.db2.gz KQFVDCSKUINFAP-SNVBAGLBSA-N 0 3 199.319 2.435 10 0 AEAEHN CCOC[C@@H](NC)c1csc(C)c1 84064183 572492020 /nfs/dbraw/zinc/49/20/20/572492020.db2.gz GGPRFWIOJRYIJE-SNVBAGLBSA-N 0 3 199.319 2.354 10 0 AEAEHN CCCOc1cccnc1[C@H](C)NC 238265850 572492643 /nfs/dbraw/zinc/49/26/43/572492643.db2.gz CRBXNGWNFWFOML-VIFPVBQESA-N 0 3 194.278 2.151 10 0 AEAEHN Clc1cnccc1CNCC1CC1 84084711 572493646 /nfs/dbraw/zinc/49/36/46/572493646.db2.gz DGGLOODURJTENR-UHFFFAOYSA-N 0 3 196.681 2.235 10 0 AEAEHN C[C@@H](CN(C)C)Oc1cccc(F)c1 713965680 572494285 /nfs/dbraw/zinc/49/42/85/572494285.db2.gz XILACEVPNUNIAI-VIFPVBQESA-N 0 3 197.253 2.155 10 0 AEAEHN Cc1ncc(C)c([C@H](N)CC(C)C)n1 74247549 572494434 /nfs/dbraw/zinc/49/44/34/572494434.db2.gz PFTPYUSGDBGUHE-SNVBAGLBSA-N 0 3 193.294 2.139 10 0 AEAEHN Cc1c[nH]nc1[C@@H](N)CC1CCCC1 74247534 572495018 /nfs/dbraw/zinc/49/50/18/572495018.db2.gz AGAHSOOBORISQT-JTQLQIEISA-N 0 3 193.294 2.298 10 0 AEAEHN C[C@H](CN(C)C)Oc1cccc(F)c1 713965677 572494799 /nfs/dbraw/zinc/49/47/99/572494799.db2.gz XILACEVPNUNIAI-SECBINFHSA-N 0 3 197.253 2.155 10 0 AEAEHN Cc1c[nH]c([C@@H](N)CC2CCCC2)n1 74247540 572494846 /nfs/dbraw/zinc/49/48/46/572494846.db2.gz BNQJXYYWLKUDQR-JTQLQIEISA-N 0 3 193.294 2.298 10 0 AEAEHN CCc1ncc([C@@H](N)C(C)C)nc1C 74247449 572494937 /nfs/dbraw/zinc/49/49/37/572494937.db2.gz UPGIFALUKHWRPR-NSHDSACASA-N 0 3 193.294 2.003 10 0 AEAEHN Cc1cncnc1[C@@H](N)CCC(C)C 74247556 572494950 /nfs/dbraw/zinc/49/49/50/572494950.db2.gz RTGRJPZZHUBRLR-JTQLQIEISA-N 0 3 193.294 2.221 10 0 AEAEHN CCc1cnc([C@H](N)CC(C)C)cn1 74247453 572494982 /nfs/dbraw/zinc/49/49/82/572494982.db2.gz AUUHIDCFXCLHPV-SNVBAGLBSA-N 0 3 193.294 2.085 10 0 AEAEHN CCCOCCNCc1ccccc1 53588220 572495038 /nfs/dbraw/zinc/49/50/38/572495038.db2.gz IRJFHGBBACIQIK-UHFFFAOYSA-N 0 3 193.290 2.203 10 0 AEAEHN CC(C)c1cnc([C@@H](N)C(C)C)cn1 74247452 572495240 /nfs/dbraw/zinc/49/52/40/572495240.db2.gz RZADCSWEEWVVKH-NSHDSACASA-N 0 3 193.294 2.256 10 0 AEAEHN Cc1c[nH]nc1[C@H](N)CC1CCCC1 74247533 572496304 /nfs/dbraw/zinc/49/63/04/572496304.db2.gz AGAHSOOBORISQT-SNVBAGLBSA-N 0 3 193.294 2.298 10 0 AEAEHN CC(C)(C)CC[C@@H](N)c1cncnc1 74247542 572495426 /nfs/dbraw/zinc/49/54/26/572495426.db2.gz POZILVUVTFQLLJ-SNVBAGLBSA-N 0 3 193.294 2.303 10 0 AEAEHN COC[C@H](N)c1c(C)cc(C)cc1F 234754326 572495664 /nfs/dbraw/zinc/49/56/64/572495664.db2.gz MAHDPVOMJWBQAJ-JTQLQIEISA-N 0 3 197.253 2.089 10 0 AEAEHN CCc1ncnc([C@@H](N)C(C)C)c1C 74247494 572496917 /nfs/dbraw/zinc/49/69/17/572496917.db2.gz XWXWKQCEWCBYIQ-JTQLQIEISA-N 0 3 193.294 2.003 10 0 AEAEHN Cc1cc([C@H](N)CC(C)C)nc(C)n1 74247492 572496958 /nfs/dbraw/zinc/49/69/58/572496958.db2.gz OPNNJMIVOWKWFN-SNVBAGLBSA-N 0 3 193.294 2.139 10 0 AEAEHN CC(C)C(C)(C)C[C@H](O)CN1CCC1 713265471 572498128 /nfs/dbraw/zinc/49/81/28/572498128.db2.gz HPDXVCJAAIIOAS-NSHDSACASA-N 0 3 199.338 2.125 10 0 AEAEHN CCC(=O)CN1CCC[C@H]1C(C)C 84126701 572497106 /nfs/dbraw/zinc/49/71/06/572497106.db2.gz LBFFRULFZAEMKX-NSHDSACASA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1ncc(C)c([C@@H](N)CC(C)C)n1 74247550 572497122 /nfs/dbraw/zinc/49/71/22/572497122.db2.gz PFTPYUSGDBGUHE-JTQLQIEISA-N 0 3 193.294 2.139 10 0 AEAEHN CC(C)(C)CC[C@H](N)c1cncnc1 74247541 572497423 /nfs/dbraw/zinc/49/74/23/572497423.db2.gz POZILVUVTFQLLJ-JTQLQIEISA-N 0 3 193.294 2.303 10 0 AEAEHN CCCC(=O)CN1CCC[C@@H]1C(C)C 84126682 572497583 /nfs/dbraw/zinc/49/75/83/572497583.db2.gz QYJHSINAJVOQLU-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN Cc1ccc(CCNC/C=C/Cl)o1 689734083 572498056 /nfs/dbraw/zinc/49/80/56/572498056.db2.gz ODIUQWVLRDOKIH-QHHAFSJGSA-N 0 3 199.681 2.473 10 0 AEAEHN CC(C)[C@H](C)O[C@H](CN)c1ccco1 87468380 572498273 /nfs/dbraw/zinc/49/82/73/572498273.db2.gz XEUZOHRPMRHOBH-GXSJLCMTSA-N 0 3 197.278 2.341 10 0 AEAEHN CC(C)[C@@H](C)O[C@@H](CN)c1ccco1 87468377 572500096 /nfs/dbraw/zinc/50/00/96/572500096.db2.gz XEUZOHRPMRHOBH-KOLCDFICSA-N 0 3 197.278 2.341 10 0 AEAEHN CC(C)C(C)(C)C[C@@H](O)CN1CCC1 713265470 572500363 /nfs/dbraw/zinc/50/03/63/572500363.db2.gz HPDXVCJAAIIOAS-LLVKDONJSA-N 0 3 199.338 2.125 10 0 AEAEHN Cc1cc(CN[C@@H](C)C2(C)CC2)on1 44986300 572500643 /nfs/dbraw/zinc/50/06/43/572500643.db2.gz YDVGKEOBAHOFQZ-VIFPVBQESA-N 0 3 194.278 2.261 10 0 AEAEHN CC(C)[C@@H](C)O[C@H](CN)c1ccco1 87468379 572500767 /nfs/dbraw/zinc/50/07/67/572500767.db2.gz XEUZOHRPMRHOBH-MWLCHTKSSA-N 0 3 197.278 2.341 10 0 AEAEHN CCCC(=O)CN1CCC[C@H]1C(C)C 84126684 572500955 /nfs/dbraw/zinc/50/09/55/572500955.db2.gz QYJHSINAJVOQLU-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)[C@H](C)O[C@@H](CN)c1ccco1 87468378 572501343 /nfs/dbraw/zinc/50/13/43/572501343.db2.gz XEUZOHRPMRHOBH-ONGXEEELSA-N 0 3 197.278 2.341 10 0 AEAEHN CCC(=O)CN1CCC[C@@H]1C(C)C 84126699 572501657 /nfs/dbraw/zinc/50/16/57/572501657.db2.gz LBFFRULFZAEMKX-LLVKDONJSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)[C@@H](C)OCc1occc1CN 87470473 572501908 /nfs/dbraw/zinc/50/19/08/572501908.db2.gz SBRFQTJEKRNKNN-SECBINFHSA-N 0 3 197.278 2.299 10 0 AEAEHN CC1(N2CCC(=O)CC2)CCCCC1 45045909 572502662 /nfs/dbraw/zinc/50/26/62/572502662.db2.gz RBWJZAFPVOFOKE-UHFFFAOYSA-N 0 3 195.306 2.374 10 0 AEAEHN CC1(NC2=NCCS2)CCCCC1 45046404 572503206 /nfs/dbraw/zinc/50/32/06/572503206.db2.gz DUDPRLGNEOEONW-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN CC(C)[C@@H](C)OCc1cc(CN)co1 87470549 572503687 /nfs/dbraw/zinc/50/36/87/572503687.db2.gz QXBSJDWZVFUZDD-SECBINFHSA-N 0 3 197.278 2.299 10 0 AEAEHN CCC[C@@H](N)c1cn2c(C)cnc2o1 74248057 572503710 /nfs/dbraw/zinc/50/37/10/572503710.db2.gz ZNWQVWJOMNGLIL-MRVPVSSYSA-N 0 3 193.250 2.036 10 0 AEAEHN CC(C)[C@H](C)OCc1cc(CN)co1 87470550 572503818 /nfs/dbraw/zinc/50/38/18/572503818.db2.gz QXBSJDWZVFUZDD-VIFPVBQESA-N 0 3 197.278 2.299 10 0 AEAEHN CC(C)[C@H](C)OCc1occc1CN 87470474 572504185 /nfs/dbraw/zinc/50/41/85/572504185.db2.gz SBRFQTJEKRNKNN-VIFPVBQESA-N 0 3 197.278 2.299 10 0 AEAEHN CCC[C@H](N)c1cn2c(C)cnc2o1 74248056 572504424 /nfs/dbraw/zinc/50/44/24/572504424.db2.gz ZNWQVWJOMNGLIL-QMMMGPOBSA-N 0 3 193.250 2.036 10 0 AEAEHN c1cc(CNC[C@@H]2CCCS2)co1 87473240 572506454 /nfs/dbraw/zinc/50/64/54/572506454.db2.gz DMWYSXHFLWMRIJ-JTQLQIEISA-N 0 3 197.303 2.265 10 0 AEAEHN c1cc(CNC[C@H]2CCCS2)co1 87473241 572506039 /nfs/dbraw/zinc/50/60/39/572506039.db2.gz DMWYSXHFLWMRIJ-SNVBAGLBSA-N 0 3 197.303 2.265 10 0 AEAEHN CCCCC[C@@H](N)c1nccn1C 89015198 572506406 /nfs/dbraw/zinc/50/64/06/572506406.db2.gz NYDMBMFUUAYCMJ-SECBINFHSA-N 0 3 181.283 2.000 10 0 AEAEHN CCC(=O)CN1CC[C@@H](CC(C)C)C1 307780766 572506561 /nfs/dbraw/zinc/50/65/61/572506561.db2.gz KQJMUJKZGAVECO-NSHDSACASA-N 0 3 197.322 2.334 10 0 AEAEHN CCCCC[C@H](N)c1nccn1C 89015197 572506633 /nfs/dbraw/zinc/50/66/33/572506633.db2.gz NYDMBMFUUAYCMJ-VIFPVBQESA-N 0 3 181.283 2.000 10 0 AEAEHN CN(CC(C)(C)C)[C@H]1CCCCC1=O 45084828 572507025 /nfs/dbraw/zinc/50/70/25/572507025.db2.gz RHPAFEXOHGWLSA-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CN(CC(C)(C)C)[C@@H]1CCCCC1=O 45084825 572508745 /nfs/dbraw/zinc/50/87/45/572508745.db2.gz RHPAFEXOHGWLSA-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN c1ccc2c3c(ccc2c1)CNCCO3 84179551 572509442 /nfs/dbraw/zinc/50/94/42/572509442.db2.gz XKBAWSDHEPMCOU-UHFFFAOYSA-N 0 3 199.253 2.322 10 0 AEAEHN CN(CC(C)(C)C)[C@H]1CCCC1=O 45084849 572509506 /nfs/dbraw/zinc/50/95/06/572509506.db2.gz HUOCSORMKPGPEI-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)[C@H](N)c1cnc(C2CC2)cn1 74271413 572509670 /nfs/dbraw/zinc/50/96/70/572509670.db2.gz MSRIZYDSNRWUGV-NSHDSACASA-N 0 3 191.278 2.010 10 0 AEAEHN CC(C)[C@@H](N)c1cnc(C2CC2)cn1 74271415 572509702 /nfs/dbraw/zinc/50/97/02/572509702.db2.gz MSRIZYDSNRWUGV-LLVKDONJSA-N 0 3 191.278 2.010 10 0 AEAEHN C[C@@H](N)c1cnc(C2CCCC2)cn1 74271421 572509798 /nfs/dbraw/zinc/50/97/98/572509798.db2.gz VRJUNXGXKSGGHK-MRVPVSSYSA-N 0 3 191.278 2.154 10 0 AEAEHN CCc1cc(-c2cnccc2N)ccn1 307782701 572510252 /nfs/dbraw/zinc/51/02/52/572510252.db2.gz KJJMIWSJUMUJFT-UHFFFAOYSA-N 0 3 199.257 2.288 10 0 AEAEHN CC[C@H]1CSC(N[C@@H]2CC2(C)C)=N1 45136053 572510777 /nfs/dbraw/zinc/51/07/77/572510777.db2.gz QVVPMJMVGFXSPP-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1CSC(N[C@H]2CC2(C)C)=N1 45136055 572511422 /nfs/dbraw/zinc/51/14/22/572511422.db2.gz QVVPMJMVGFXSPP-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN Cc1cc(-c2oncc2CN)c(C)o1 74270383 572511467 /nfs/dbraw/zinc/51/14/67/572511467.db2.gz JMZMIYUTHNUXTN-UHFFFAOYSA-N 0 3 192.218 2.010 10 0 AEAEHN CC1(C)CSC(N[C@H]2CC2(C)C)=N1 45136056 572514004 /nfs/dbraw/zinc/51/40/04/572514004.db2.gz HAKFYFPPLUNOOU-ZETCQYMHSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H](N)c1cnc(C2CCCC2)cn1 74271416 572512022 /nfs/dbraw/zinc/51/20/22/572512022.db2.gz VRJUNXGXKSGGHK-QMMMGPOBSA-N 0 3 191.278 2.154 10 0 AEAEHN CC[C@@H]1CSC(N[C@H]2CC2(C)C)=N1 45136054 572512116 /nfs/dbraw/zinc/51/21/16/572512116.db2.gz QVVPMJMVGFXSPP-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN CC1(C)C[C@H]1Nc1ccncc1 45135738 572512354 /nfs/dbraw/zinc/51/23/54/572512354.db2.gz IKGFMAVKWGZSKG-SECBINFHSA-N 0 3 162.236 2.292 10 0 AEAEHN C[C@H]1CCC[C@H](c2nc(CN)c[nH]2)C1 62820768 572512642 /nfs/dbraw/zinc/51/26/42/572512642.db2.gz ZEVMOIOHDFTUPT-IUCAKERBSA-N 0 3 193.294 2.162 10 0 AEAEHN CC1(C)C[C@@H]1Nc1ccncc1 45135737 572512877 /nfs/dbraw/zinc/51/28/77/572512877.db2.gz IKGFMAVKWGZSKG-VIFPVBQESA-N 0 3 162.236 2.292 10 0 AEAEHN C[C@H]1CCC[C@@H](c2nc(CN)c[nH]2)C1 62820770 572512884 /nfs/dbraw/zinc/51/28/84/572512884.db2.gz ZEVMOIOHDFTUPT-DTWKUNHWSA-N 0 3 193.294 2.162 10 0 AEAEHN CC1(C)CSC(N[C@@H]2CC2(C)C)=N1 45136057 572513246 /nfs/dbraw/zinc/51/32/46/572513246.db2.gz HAKFYFPPLUNOOU-SSDOTTSWSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CSC(N[C@@H]2CC2(C)C)=N1 45136052 572513650 /nfs/dbraw/zinc/51/36/50/572513650.db2.gz QVVPMJMVGFXSPP-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCC[C@H](c2nc(CN)c[nH]2)C1 62820767 572514929 /nfs/dbraw/zinc/51/49/29/572514929.db2.gz ZEVMOIOHDFTUPT-BDAKNGLRSA-N 0 3 193.294 2.162 10 0 AEAEHN CC1(C)C[C@@H]1NCc1ccccc1N 45137787 572515292 /nfs/dbraw/zinc/51/52/92/572515292.db2.gz YGYHHOPWKMPRDE-NSHDSACASA-N 0 3 190.290 2.157 10 0 AEAEHN C[C@@H]1CCC[C@@H](c2nc(CN)c[nH]2)C1 62820769 572515537 /nfs/dbraw/zinc/51/55/37/572515537.db2.gz ZEVMOIOHDFTUPT-RKDXNWHRSA-N 0 3 193.294 2.162 10 0 AEAEHN C1CCc2oc3c(c2CC1)CCNC3 74271774 572516202 /nfs/dbraw/zinc/51/62/02/572516202.db2.gz GTOJOBVWCXGUSS-UHFFFAOYSA-N 0 3 191.274 2.194 10 0 AEAEHN CC1(C)C[C@H]1NCc1ccccc1N 45137789 572516219 /nfs/dbraw/zinc/51/62/19/572516219.db2.gz YGYHHOPWKMPRDE-LLVKDONJSA-N 0 3 190.290 2.157 10 0 AEAEHN NCc1nccc2cccc(Cl)c12 74268337 572517079 /nfs/dbraw/zinc/51/70/79/572517079.db2.gz XVJWOLXLJBMJDW-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN CCCCNCc1cc(C)nn1CC 84243668 572517813 /nfs/dbraw/zinc/51/78/13/572517813.db2.gz CZDGICBOCQCRRL-UHFFFAOYSA-N 0 3 195.310 2.101 10 0 AEAEHN CCn1nc(C)cc1CNC(C)(C)C 84243752 572518600 /nfs/dbraw/zinc/51/86/00/572518600.db2.gz BHSGPHQIPKQIMP-UHFFFAOYSA-N 0 3 195.310 2.100 10 0 AEAEHN Cc1sc2ccnc(CN)c2c1C 74268514 572519385 /nfs/dbraw/zinc/51/93/85/572519385.db2.gz BUHWQLJYRSBZBJ-UHFFFAOYSA-N 0 3 192.287 2.372 10 0 AEAEHN CC[C@@H](N)c1cccnc1OC(C)C 238284448 572520596 /nfs/dbraw/zinc/52/05/96/572520596.db2.gz FZCRESNEFAWPAO-SNVBAGLBSA-N 0 3 194.278 2.279 10 0 AEAEHN CCN[C@H](c1nccnc1C)C(C)C 238284710 572520658 /nfs/dbraw/zinc/52/06/58/572520658.db2.gz JQUKBLDJACZOJU-JTQLQIEISA-N 0 3 193.294 2.092 10 0 AEAEHN CCN[C@H](c1cncc(C)n1)C(C)C 238284700 572521094 /nfs/dbraw/zinc/52/10/94/572521094.db2.gz PMEOCAFZUXNDMJ-NSHDSACASA-N 0 3 193.294 2.092 10 0 AEAEHN CCC[C@@H](N)c1ccc2cccnn12 74275535 572521262 /nfs/dbraw/zinc/52/12/62/572521262.db2.gz LXACAHWVRYXVLM-SNVBAGLBSA-N 0 3 189.262 2.134 10 0 AEAEHN CCC[C@H](N)c1ccc2cccnn12 74275533 572522497 /nfs/dbraw/zinc/52/24/97/572522497.db2.gz LXACAHWVRYXVLM-JTQLQIEISA-N 0 3 189.262 2.134 10 0 AEAEHN CCC[C@H](N)c1cn2ccccc2n1 74275691 572525064 /nfs/dbraw/zinc/52/50/64/572525064.db2.gz BTEVFPKUNAGXIB-VIFPVBQESA-N 0 3 189.262 2.134 10 0 AEAEHN CCC[C@@H](N)c1cn2ccccc2n1 74275692 572525333 /nfs/dbraw/zinc/52/53/33/572525333.db2.gz BTEVFPKUNAGXIB-SECBINFHSA-N 0 3 189.262 2.134 10 0 AEAEHN CC[C@@H](N)c1ccc(OC2CC2)cn1 713276190 572526255 /nfs/dbraw/zinc/52/62/55/572526255.db2.gz LRNQXHVHDCFFGN-SNVBAGLBSA-N 0 3 192.262 2.033 10 0 AEAEHN NCc1cocc1-c1ccc(O)cc1 74276401 572526806 /nfs/dbraw/zinc/52/68/06/572526806.db2.gz NZGUACLOXNCDDX-UHFFFAOYSA-N 0 3 189.214 2.111 10 0 AEAEHN CC[C@H](N)c1ccc(OC2CC2)cn1 713276180 572527110 /nfs/dbraw/zinc/52/71/10/572527110.db2.gz LRNQXHVHDCFFGN-JTQLQIEISA-N 0 3 192.262 2.033 10 0 AEAEHN CNCc1cnc(-c2ccoc2)s1 63046787 572527630 /nfs/dbraw/zinc/52/76/30/572527630.db2.gz GXLZXBOBWWXVOO-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN CCOc1ccc(O)cc1[C@H](N)CC 238291667 572528558 /nfs/dbraw/zinc/52/85/58/572528558.db2.gz WGTOQIYJNBTBLM-SNVBAGLBSA-N 0 3 195.262 2.201 10 0 AEAEHN CCOc1ccc(O)cc1[C@@H](N)CC 238291429 572529139 /nfs/dbraw/zinc/52/91/39/572529139.db2.gz WGTOQIYJNBTBLM-JTQLQIEISA-N 0 3 195.262 2.201 10 0 AEAEHN C[C@@H](c1cc[nH]c1)[C@H](N)c1ccoc1 74274155 572531850 /nfs/dbraw/zinc/53/18/50/572531850.db2.gz HWBSYTVBDFAJDI-KWQFWETISA-N 0 3 190.246 2.411 10 0 AEAEHN C[C@H](c1cc[nH]c1)[C@H](N)c1ccoc1 74274158 572531904 /nfs/dbraw/zinc/53/19/04/572531904.db2.gz HWBSYTVBDFAJDI-KCJUWKMLSA-N 0 3 190.246 2.411 10 0 AEAEHN CCOc1c(CN)ccc2[nH]ccc12 74274267 572532159 /nfs/dbraw/zinc/53/21/59/572532159.db2.gz CHJHTHJTZXTPIA-UHFFFAOYSA-N 0 3 190.246 2.025 10 0 AEAEHN CC(C)[C@H](N)c1nccc2occc12 74274179 572532286 /nfs/dbraw/zinc/53/22/86/572532286.db2.gz LDIKKOTXHQLBGO-JTQLQIEISA-N 0 3 190.246 2.484 10 0 AEAEHN CC(C)[C@H](N)c1cc2occc2cn1 74274165 572532953 /nfs/dbraw/zinc/53/29/53/572532953.db2.gz XUMYYQCQPDMKFK-NSHDSACASA-N 0 3 190.246 2.484 10 0 AEAEHN CC(C)[C@@H](N)c1cc2occc2cn1 74274168 572532965 /nfs/dbraw/zinc/53/29/65/572532965.db2.gz XUMYYQCQPDMKFK-LLVKDONJSA-N 0 3 190.246 2.484 10 0 AEAEHN CC(C)[C@@H](N)c1cc2cnccc2o1 74274186 572533223 /nfs/dbraw/zinc/53/32/23/572533223.db2.gz BMRXPYROACGSIE-LLVKDONJSA-N 0 3 190.246 2.484 10 0 AEAEHN CCOc1cc2[nH]ccc2cc1CN 74274265 572533303 /nfs/dbraw/zinc/53/33/03/572533303.db2.gz DIQAKHKRXLPTNO-UHFFFAOYSA-N 0 3 190.246 2.025 10 0 AEAEHN C[C@@H](c1cc[nH]c1)[C@@H](N)c1ccoc1 74274161 572533393 /nfs/dbraw/zinc/53/33/93/572533393.db2.gz HWBSYTVBDFAJDI-GZMMTYOYSA-N 0 3 190.246 2.411 10 0 AEAEHN NCc1cc(-c2ccsc2)ccn1 74273937 572533452 /nfs/dbraw/zinc/53/34/52/572533452.db2.gz LGUHGPJEQBSZRB-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN CC(C)[C@H](N)c1cc2cnccc2o1 74274183 572533514 /nfs/dbraw/zinc/53/35/14/572533514.db2.gz BMRXPYROACGSIE-NSHDSACASA-N 0 3 190.246 2.484 10 0 AEAEHN NCc1cc(-c2ccccc2)sn1 74273934 572534138 /nfs/dbraw/zinc/53/41/38/572534138.db2.gz BKUYHGNGTWGFGA-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN C[C@H](c1cc[nH]c1)[C@@H](N)c1ccoc1 74274162 572534494 /nfs/dbraw/zinc/53/44/94/572534494.db2.gz HWBSYTVBDFAJDI-LDYMZIIASA-N 0 3 190.246 2.411 10 0 AEAEHN CCOc1ccc([C@@H](N)C(C)C)nc1 238294093 572534699 /nfs/dbraw/zinc/53/46/99/572534699.db2.gz YBFVPFDCRMHAMT-NSHDSACASA-N 0 3 194.278 2.136 10 0 AEAEHN CCOc1ccc([C@H](N)C(C)C)nc1 238296590 572535119 /nfs/dbraw/zinc/53/51/19/572535119.db2.gz YBFVPFDCRMHAMT-LLVKDONJSA-N 0 3 194.278 2.136 10 0 AEAEHN Cc1cc2ccnc(CN)c2cc1F 74274527 572536195 /nfs/dbraw/zinc/53/61/95/572536195.db2.gz LHHMTICEMLHGLZ-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN Cc1c(F)ccc2ccnc(CN)c12 74274528 572537906 /nfs/dbraw/zinc/53/79/06/572537906.db2.gz MOOCVIQOQAEOHW-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN CC(C)CCC(=O)[C@@H]1CCCCN1 84344360 572539730 /nfs/dbraw/zinc/53/97/30/572539730.db2.gz FFXCZJREOKOOJN-JTQLQIEISA-N 0 3 183.295 2.134 10 0 AEAEHN CC(C)CCC(=O)[C@H]1CCCCN1 84344364 572540071 /nfs/dbraw/zinc/54/00/71/572540071.db2.gz FFXCZJREOKOOJN-SNVBAGLBSA-N 0 3 183.295 2.134 10 0 AEAEHN CCN(CC)Cc1cscc1N 74282517 572540764 /nfs/dbraw/zinc/54/07/64/572540764.db2.gz BANJZVUFAKGMJN-UHFFFAOYSA-N 0 3 184.308 2.172 10 0 AEAEHN CCC[C@H](C)CN1CC(O)(C(C)C)C1 84376800 572541136 /nfs/dbraw/zinc/54/11/36/572541136.db2.gz BTZPHBKBGSUZML-NSHDSACASA-N 0 3 199.338 2.125 10 0 AEAEHN CCCC[C@@H](CC)CN1CC(C)(O)C1 84357204 572541336 /nfs/dbraw/zinc/54/13/36/572541336.db2.gz ZNLQZJBDSYQULT-LLVKDONJSA-N 0 3 199.338 2.269 10 0 AEAEHN CCN(CC)Cc1csc(N)c1 74282528 572541356 /nfs/dbraw/zinc/54/13/56/572541356.db2.gz LEPWBXAKUHNXII-UHFFFAOYSA-N 0 3 184.308 2.172 10 0 AEAEHN NC1(c2cc3cc[nH]c3o2)CC=CC1 74277953 572541504 /nfs/dbraw/zinc/54/15/04/572541504.db2.gz FDYARBZOKHZLGH-UHFFFAOYSA-N 0 3 188.230 2.265 10 0 AEAEHN CCCC1(O)CN(CCC(C)(C)C)C1 84374755 572541536 /nfs/dbraw/zinc/54/15/36/572541536.db2.gz MHGYPKPWWRFTJE-UHFFFAOYSA-N 0 3 199.338 2.269 10 0 AEAEHN CCCC[C@H](CC)CN1CC(C)(O)C1 84357208 572541618 /nfs/dbraw/zinc/54/16/18/572541618.db2.gz ZNLQZJBDSYQULT-NSHDSACASA-N 0 3 199.338 2.269 10 0 AEAEHN CCC[C@@H](C)CN1CC(O)(C(C)C)C1 84376799 572541724 /nfs/dbraw/zinc/54/17/24/572541724.db2.gz BTZPHBKBGSUZML-LLVKDONJSA-N 0 3 199.338 2.125 10 0 AEAEHN CCN(CC)Cc1ccsc1N 74282514 572541747 /nfs/dbraw/zinc/54/17/47/572541747.db2.gz LQWWEAAJQCXYFA-UHFFFAOYSA-N 0 3 184.308 2.172 10 0 AEAEHN C[C@H](N)c1cc(C(C)(C)C)ns1 74282600 572542432 /nfs/dbraw/zinc/54/24/32/572542432.db2.gz DXCARUPMODOKEN-LURJTMIESA-N 0 3 184.308 2.460 10 0 AEAEHN CC(C)C[C@H](C)NCc1cnco1 84413771 572545262 /nfs/dbraw/zinc/54/52/62/572545262.db2.gz LTRPPIKGDICLOC-VIFPVBQESA-N 0 3 182.267 2.199 10 0 AEAEHN Cc1sncc1[C@@H](N)CC(C)C 74282653 572542735 /nfs/dbraw/zinc/54/27/35/572542735.db2.gz VKRWYJLVYCNUAD-VIFPVBQESA-N 0 3 184.308 2.497 10 0 AEAEHN CCC[C@H](C)CN1CC(O)(CCC)C1 84374733 572542817 /nfs/dbraw/zinc/54/28/17/572542817.db2.gz ALCXDPXFEBDJDR-NSHDSACASA-N 0 3 199.338 2.269 10 0 AEAEHN Cc1cnsc1[C@@H](N)CC(C)C 74282623 572542897 /nfs/dbraw/zinc/54/28/97/572542897.db2.gz ADUORTBRIZBCFJ-QMMMGPOBSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1sncc1[C@H](N)CC(C)C 74282651 572543091 /nfs/dbraw/zinc/54/30/91/572543091.db2.gz VKRWYJLVYCNUAD-SECBINFHSA-N 0 3 184.308 2.497 10 0 AEAEHN CCC[C@@H](C)CN1CC(O)(CCC)C1 84374732 572543511 /nfs/dbraw/zinc/54/35/11/572543511.db2.gz ALCXDPXFEBDJDR-LLVKDONJSA-N 0 3 199.338 2.269 10 0 AEAEHN Cc1cnsc1[C@H](N)CC(C)C 74282620 572543518 /nfs/dbraw/zinc/54/35/18/572543518.db2.gz ADUORTBRIZBCFJ-MRVPVSSYSA-N 0 3 184.308 2.497 10 0 AEAEHN CCc1[nH]nc2c1[C@H](N)c1ccccc1-2 238301182 572543787 /nfs/dbraw/zinc/54/37/87/572543787.db2.gz YVRJPTDLJTZZKH-LLVKDONJSA-N 0 3 199.257 2.001 10 0 AEAEHN CCc1[nH]nc2c1[C@@H](N)c1ccccc1-2 238301190 572544094 /nfs/dbraw/zinc/54/40/94/572544094.db2.gz YVRJPTDLJTZZKH-NSHDSACASA-N 0 3 199.257 2.001 10 0 AEAEHN CCOc1cccc(N)c1[C@H](N)CC 238301336 572544778 /nfs/dbraw/zinc/54/47/78/572544778.db2.gz DGQWMILGUVXYIK-MRVPVSSYSA-N 0 3 194.278 2.077 10 0 AEAEHN CC(C)CC[C@@H](N)C(=O)C(C)(C)C 74280961 572545095 /nfs/dbraw/zinc/54/50/95/572545095.db2.gz LLFNLTYPXNXEJF-SECBINFHSA-N 0 3 185.311 2.365 10 0 AEAEHN CCOc1cccc(N)c1[C@@H](N)CC 238301316 572545127 /nfs/dbraw/zinc/54/51/27/572545127.db2.gz DGQWMILGUVXYIK-QMMMGPOBSA-N 0 3 194.278 2.077 10 0 AEAEHN CC(C)CC[C@H](N)C(=O)C(C)(C)C 74280960 572546015 /nfs/dbraw/zinc/54/60/15/572546015.db2.gz LLFNLTYPXNXEJF-VIFPVBQESA-N 0 3 185.311 2.365 10 0 AEAEHN CC(C)C[C@@H](C)NCc1cnco1 84413769 572546301 /nfs/dbraw/zinc/54/63/01/572546301.db2.gz LTRPPIKGDICLOC-SECBINFHSA-N 0 3 182.267 2.199 10 0 AEAEHN c1ncc(CNCC2CCCCC2)o1 84413767 572546596 /nfs/dbraw/zinc/54/65/96/572546596.db2.gz AUHDGJZAUXQSGG-UHFFFAOYSA-N 0 3 194.278 2.345 10 0 AEAEHN c1ncc(CNCCC2CCCC2)o1 84414286 572546616 /nfs/dbraw/zinc/54/66/16/572546616.db2.gz LHBIXNHOZXSZGJ-UHFFFAOYSA-N 0 3 194.278 2.345 10 0 AEAEHN CCCCCCNCc1cnco1 84413562 572546801 /nfs/dbraw/zinc/54/68/01/572546801.db2.gz CTZZIOQKIYCWCV-UHFFFAOYSA-N 0 3 182.267 2.345 10 0 AEAEHN Cc1csc([C@H](O)CCN(C)C)c1 238312647 572548138 /nfs/dbraw/zinc/54/81/38/572548138.db2.gz RTCLGWDMSFPMNX-SECBINFHSA-N 0 3 199.319 2.042 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCC[C@@H]1C 87535372 572550391 /nfs/dbraw/zinc/55/03/91/572550391.db2.gz QNFRZSNLBPZHGI-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)[C@H](C)CNCc1cnco1 84415363 572548728 /nfs/dbraw/zinc/54/87/28/572548728.db2.gz ZKQHWZZBQOLXQO-SECBINFHSA-N 0 3 182.267 2.056 10 0 AEAEHN C[C@H](NCc1cnco1)C1CCCC1 84415254 572551251 /nfs/dbraw/zinc/55/12/51/572551251.db2.gz YHLHWABGNHXGOD-VIFPVBQESA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@@H](C)[C@@H](C)NCc1cnco1 84414544 572549655 /nfs/dbraw/zinc/54/96/55/572549655.db2.gz PYCDHBZGVQGNEG-RKDXNWHRSA-N 0 3 182.267 2.199 10 0 AEAEHN CC[C@@H](NCc1cnco1)C(C)C 84414575 572549734 /nfs/dbraw/zinc/54/97/34/572549734.db2.gz LGOUMEQYNYBMQG-SNVBAGLBSA-N 0 3 182.267 2.199 10 0 AEAEHN CCC[C@@H](CC)NCc1cnco1 84414884 572549870 /nfs/dbraw/zinc/54/98/70/572549870.db2.gz CXCLMYHOWWCXPM-SECBINFHSA-N 0 3 182.267 2.343 10 0 AEAEHN CCN[C@@H](CC)c1ccoc1 69630843 572549969 /nfs/dbraw/zinc/54/99/69/572549969.db2.gz BMVHNJBAINUXCX-VIFPVBQESA-N 0 3 153.225 2.340 10 0 AEAEHN CCC[C@H](CC)NCc1cnco1 84414887 572549974 /nfs/dbraw/zinc/54/99/74/572549974.db2.gz CXCLMYHOWWCXPM-VIFPVBQESA-N 0 3 182.267 2.343 10 0 AEAEHN CC(C)CCCNCc1cnco1 84414434 572550233 /nfs/dbraw/zinc/55/02/33/572550233.db2.gz PHZRSCIZHYUFEL-UHFFFAOYSA-N 0 3 182.267 2.200 10 0 AEAEHN C1=CC[C@H](CNCc2cnco2)CC1 84414828 572550309 /nfs/dbraw/zinc/55/03/09/572550309.db2.gz FBSJNOGAGYFLJU-JTQLQIEISA-N 0 3 192.262 2.121 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCC[C@H](C)C1 87535180 572550343 /nfs/dbraw/zinc/55/03/43/572550343.db2.gz KXVUMNCNWCQSNH-WDEREUQCSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H](N)c1ccc2c(F)cccc2n1 714025851 572550377 /nfs/dbraw/zinc/55/03/77/572550377.db2.gz NRQKAZQRIBMWBI-SSDOTTSWSA-N 0 3 190.221 2.394 10 0 AEAEHN CC[C@H](C)C(=O)CN(C)[C@@H](C)C1CC1 87535318 572550410 /nfs/dbraw/zinc/55/04/10/572550410.db2.gz GSHDCLPWXPFFMM-UWVGGRQHSA-N 0 3 197.322 2.332 10 0 AEAEHN C/C(=C\c1ccc([O-])c(F)c1)[C@@H](C)[NH3+] 235148831 572550455 /nfs/dbraw/zinc/55/04/55/572550455.db2.gz CAFPSIINJZCDKH-WVXIBAHESA-N 0 3 195.237 2.282 10 0 AEAEHN CCC[C@H](NC)c1ccoc1 69630871 572550469 /nfs/dbraw/zinc/55/04/69/572550469.db2.gz BTFBUMJVJWGDEJ-VIFPVBQESA-N 0 3 153.225 2.340 10 0 AEAEHN CCCN(CC(=O)[C@H](C)CC)C1CC1 87535267 572550589 /nfs/dbraw/zinc/55/05/89/572550589.db2.gz LLFUXPCXDDBNAF-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC[C@H](C)NCc1cnco1 84414895 572550616 /nfs/dbraw/zinc/55/06/16/572550616.db2.gz UTZXMRLLWPZYAY-VIFPVBQESA-N 0 3 182.267 2.343 10 0 AEAEHN CC[C@@H](C)C(=O)CN(CC)C(C)C 87535245 572552476 /nfs/dbraw/zinc/55/24/76/572552476.db2.gz OUNRLIGXBCTIDH-SNVBAGLBSA-N 0 3 185.311 2.332 10 0 AEAEHN CCCN[C@@H](c1ccncn1)C(C)C 69639884 572550775 /nfs/dbraw/zinc/55/07/75/572550775.db2.gz HFFXXRIMQUFVSV-LLVKDONJSA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@@H](NCc1cnco1)C1CCCC1 84415258 572550793 /nfs/dbraw/zinc/55/07/93/572550793.db2.gz YHLHWABGNHXGOD-SECBINFHSA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCCCC1 87535194 572550958 /nfs/dbraw/zinc/55/09/58/572550958.db2.gz ZGHGMEAJYDRQJV-SNVBAGLBSA-N 0 3 183.295 2.088 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCC[C@@H]1C 87535370 572550986 /nfs/dbraw/zinc/55/09/86/572550986.db2.gz QNFRZSNLBPZHGI-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCC(C)CC1 87535149 572551016 /nfs/dbraw/zinc/55/10/16/572551016.db2.gz WSBUFNTZAHKVHE-NSHDSACASA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](CC1CC1)NCc1cnco1 84415235 572551020 /nfs/dbraw/zinc/55/10/20/572551020.db2.gz WREGAUOJVGPGHS-SNVBAGLBSA-N 0 3 194.278 2.343 10 0 AEAEHN CC1(CNCc2cnco2)CCCC1 84415181 572551042 /nfs/dbraw/zinc/55/10/42/572551042.db2.gz HKKVCYQZSARMRC-UHFFFAOYSA-N 0 3 194.278 2.345 10 0 AEAEHN CC[C@@H](C)C(=O)CN(C)CC1CCC1 87535926 572551107 /nfs/dbraw/zinc/55/11/07/572551107.db2.gz VHKJGYJSZOZQRC-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](C)[C@@H](C)NCc1cnco1 84414547 572551225 /nfs/dbraw/zinc/55/12/25/572551225.db2.gz PYCDHBZGVQGNEG-DTWKUNHWSA-N 0 3 182.267 2.199 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCC(C)(C)C1 87536210 572551239 /nfs/dbraw/zinc/55/12/39/572551239.db2.gz BMPRQGXMRLJYGA-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCC[C@H](C)C1 87535182 572551308 /nfs/dbraw/zinc/55/13/08/572551308.db2.gz KXVUMNCNWCQSNH-QWRGUYRKSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](C)[C@H](C)NCc1cnco1 84414555 572551335 /nfs/dbraw/zinc/55/13/35/572551335.db2.gz PYCDHBZGVQGNEG-IUCAKERBSA-N 0 3 182.267 2.199 10 0 AEAEHN C1=CC[C@@H](CNCc2cnco2)CC1 84414832 572551367 /nfs/dbraw/zinc/55/13/67/572551367.db2.gz FBSJNOGAGYFLJU-SNVBAGLBSA-N 0 3 192.262 2.121 10 0 AEAEHN CC[C@H](NCc1cnco1)C(C)C 84414571 572551411 /nfs/dbraw/zinc/55/14/11/572551411.db2.gz LGOUMEQYNYBMQG-JTQLQIEISA-N 0 3 182.267 2.199 10 0 AEAEHN CC[C@H](C)C(=O)CN(C)C1CCCC1 87535257 572551437 /nfs/dbraw/zinc/55/14/37/572551437.db2.gz MRDBZKXNFDRDMV-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](C)C(=O)CN(C)[C@@H](C)C1CC1 87535316 572551526 /nfs/dbraw/zinc/55/15/26/572551526.db2.gz GSHDCLPWXPFFMM-ZJUUUORDSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)[C@@H](C)CNCc1cnco1 84415361 572551573 /nfs/dbraw/zinc/55/15/73/572551573.db2.gz ZKQHWZZBQOLXQO-VIFPVBQESA-N 0 3 182.267 2.056 10 0 AEAEHN CC[C@@H](CC1CC1)NCc1cnco1 84415231 572551746 /nfs/dbraw/zinc/55/17/46/572551746.db2.gz WREGAUOJVGPGHS-JTQLQIEISA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCC(C)(C)C1 87536212 572551774 /nfs/dbraw/zinc/55/17/74/572551774.db2.gz BMPRQGXMRLJYGA-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCCN(CC)CC(=O)[C@H](C)CC 87535260 572551863 /nfs/dbraw/zinc/55/18/63/572551863.db2.gz KSDGZBVDLGAFLC-SNVBAGLBSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC[C@@H](C)NCc1cnco1 84414892 572552004 /nfs/dbraw/zinc/55/20/04/572552004.db2.gz UTZXMRLLWPZYAY-SECBINFHSA-N 0 3 182.267 2.343 10 0 AEAEHN CC[C@H](C)C(=O)CN1C[C@@H](C)[C@H](C)C1 87536176 572552007 /nfs/dbraw/zinc/55/20/07/572552007.db2.gz GLUOYUBTQNZLQF-HBNTYKKESA-N 0 3 197.322 2.189 10 0 AEAEHN CC[C@@H](C)[C@H](C)NCc1cnco1 84414552 572552091 /nfs/dbraw/zinc/55/20/91/572552091.db2.gz PYCDHBZGVQGNEG-BDAKNGLRSA-N 0 3 182.267 2.199 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCCC1(C)C 87535983 572552210 /nfs/dbraw/zinc/55/22/10/572552210.db2.gz ARVWMEUWJLDIIB-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](C)C(=O)CN1C[C@@H](C)[C@@H](C)C1 87536170 572552263 /nfs/dbraw/zinc/55/22/63/572552263.db2.gz GLUOYUBTQNZLQF-MXWKQRLJSA-N 0 3 197.322 2.189 10 0 AEAEHN CCC(=O)c1ccc([C@@H](N)CC)cn1 238314867 572552305 /nfs/dbraw/zinc/55/23/05/572552305.db2.gz ANRJQONLQBHMIX-VIFPVBQESA-N 0 3 192.262 2.084 10 0 AEAEHN CCCCN(C)CC(=O)[C@@H](C)CC 87535100 572552311 /nfs/dbraw/zinc/55/23/11/572552311.db2.gz PUHBWNLTZDZAAY-JTQLQIEISA-N 0 3 185.311 2.334 10 0 AEAEHN CCCCC[C@H](N)c1ccncn1 69639396 572552333 /nfs/dbraw/zinc/55/23/33/572552333.db2.gz SVUWQDQUQBQZQS-VIFPVBQESA-N 0 3 179.267 2.057 10 0 AEAEHN CC[C@H](C)C(=O)CN(C)CC1CCC1 87535928 572552410 /nfs/dbraw/zinc/55/24/10/572552410.db2.gz VHKJGYJSZOZQRC-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCCC1(C)C 87535981 572552517 /nfs/dbraw/zinc/55/25/17/572552517.db2.gz ARVWMEUWJLDIIB-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCC[C@H]1CC 87535374 572552573 /nfs/dbraw/zinc/55/25/73/572552573.db2.gz XRGJOPAUKJIXEH-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN(CC)CC(=O)[C@@H](C)CC 87535258 572552658 /nfs/dbraw/zinc/55/26/58/572552658.db2.gz KSDGZBVDLGAFLC-JTQLQIEISA-N 0 3 185.311 2.334 10 0 AEAEHN CC[C@@H](C)C(=O)CN(CC)CC1CC1 87536062 572552802 /nfs/dbraw/zinc/55/28/02/572552802.db2.gz FVOFJXKUKRGIRA-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H](C)C[C@H](NC)c1ccncn1 69639505 572552898 /nfs/dbraw/zinc/55/28/98/572552898.db2.gz GTFFGSGNSJWJDT-KOLCDFICSA-N 0 3 193.294 2.173 10 0 AEAEHN CCC[C@@H](NC)c1ccoc1 69630872 572552977 /nfs/dbraw/zinc/55/29/77/572552977.db2.gz BTFBUMJVJWGDEJ-SECBINFHSA-N 0 3 153.225 2.340 10 0 AEAEHN CC[C@H](C)C(=O)CN(C)CC(C)C 87535274 572554409 /nfs/dbraw/zinc/55/44/09/572554409.db2.gz WDYSICPIJQDIBT-JTQLQIEISA-N 0 3 185.311 2.189 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCCC[C@@H]1C 87535166 572553017 /nfs/dbraw/zinc/55/30/17/572553017.db2.gz ZQJXYWHPJPCPCF-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC[C@H](NCC)c1ccncn1 69639700 572553041 /nfs/dbraw/zinc/55/30/41/572553041.db2.gz BULSIFPHDYZWIU-JTQLQIEISA-N 0 3 193.294 2.317 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCCCC1 87535196 572553070 /nfs/dbraw/zinc/55/30/70/572553070.db2.gz ZGHGMEAJYDRQJV-JTQLQIEISA-N 0 3 183.295 2.088 10 0 AEAEHN CC[C@@H](C)C(=O)CN(C)CC(C)C 87535272 572553079 /nfs/dbraw/zinc/55/30/79/572553079.db2.gz WDYSICPIJQDIBT-SNVBAGLBSA-N 0 3 185.311 2.189 10 0 AEAEHN CCCN(CC(=O)[C@@H](C)CC)C1CC1 87535266 572554180 /nfs/dbraw/zinc/55/41/80/572554180.db2.gz LLFUXPCXDDBNAF-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCC(C)CC1 87535147 572553400 /nfs/dbraw/zinc/55/34/00/572553400.db2.gz WSBUFNTZAHKVHE-LLVKDONJSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](C)C(=O)CN1C[C@@H](C)[C@@H](C)C1 87536172 572553428 /nfs/dbraw/zinc/55/34/28/572553428.db2.gz GLUOYUBTQNZLQF-GARJFASQSA-N 0 3 197.322 2.189 10 0 AEAEHN CC[C@H](C)C(=O)CN(C)[C@@H](C)CC 87535278 572553455 /nfs/dbraw/zinc/55/34/55/572553455.db2.gz YSPVLTCCPUYNFM-UWVGGRQHSA-N 0 3 185.311 2.332 10 0 AEAEHN CC[C@H](C)C(=O)CN(C)C[C@@H]1C[C@@H]1C 87536060 572553486 /nfs/dbraw/zinc/55/34/86/572553486.db2.gz ZFTKBIWAFRUFQJ-DCAQKATOSA-N 0 3 197.322 2.189 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCCC[C@@H]1C 87535163 572553533 /nfs/dbraw/zinc/55/35/33/572553533.db2.gz ZQJXYWHPJPCPCF-MNOVXSKESA-N 0 3 197.322 2.476 10 0 AEAEHN CCN[C@H](CC)c1ccoc1 69630847 572553545 /nfs/dbraw/zinc/55/35/45/572553545.db2.gz BMVHNJBAINUXCX-SECBINFHSA-N 0 3 153.225 2.340 10 0 AEAEHN CC[C@H](C)N(C)CC(=O)[C@H](C)CC 87535276 572554196 /nfs/dbraw/zinc/55/41/96/572554196.db2.gz YSPVLTCCPUYNFM-ZJUUUORDSA-N 0 3 185.311 2.332 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCCCCC1 87535186 572553585 /nfs/dbraw/zinc/55/35/85/572553585.db2.gz NZPHUYFUARVMLT-NSHDSACASA-N 0 3 197.322 2.478 10 0 AEAEHN CC(C)(C)CC(=O)C1(N)CCCC1 74284463 572553936 /nfs/dbraw/zinc/55/39/36/572553936.db2.gz QZWSTGKRJNMMEU-UHFFFAOYSA-N 0 3 183.295 2.263 10 0 AEAEHN CC[C@@H](C)C(=O)CN1CCCCCC1 87535184 572554101 /nfs/dbraw/zinc/55/41/01/572554101.db2.gz NZPHUYFUARVMLT-LLVKDONJSA-N 0 3 197.322 2.478 10 0 AEAEHN CC[C@@H](C)C(=O)CN(C)C[C@@H]1C[C@@H]1C 87536059 572554133 /nfs/dbraw/zinc/55/41/33/572554133.db2.gz ZFTKBIWAFRUFQJ-VWYCJHECSA-N 0 3 197.322 2.189 10 0 AEAEHN CCCCN(C)CC(=O)[C@H](C)CC 87535101 572554350 /nfs/dbraw/zinc/55/43/50/572554350.db2.gz PUHBWNLTZDZAAY-SNVBAGLBSA-N 0 3 185.311 2.334 10 0 AEAEHN CC[C@H](C)C(=O)CN(CC)C(C)C 87535247 572554386 /nfs/dbraw/zinc/55/43/86/572554386.db2.gz OUNRLIGXBCTIDH-JTQLQIEISA-N 0 3 185.311 2.332 10 0 AEAEHN CC[C@H](C)C(=O)CN1CCC[C@@H]1CC 87535376 572554430 /nfs/dbraw/zinc/55/44/30/572554430.db2.gz XRGJOPAUKJIXEH-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](C)C(=O)CN(C)C1CCCC1 87535255 572554670 /nfs/dbraw/zinc/55/46/70/572554670.db2.gz MRDBZKXNFDRDMV-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN [O-]c1cccc([C@H]2CC[NH2+]2)c1C(F)F 714031629 572556815 /nfs/dbraw/zinc/55/68/15/572556815.db2.gz AGJDSHIBLIKELY-SSDOTTSWSA-N 0 3 199.200 2.364 10 0 AEAEHN CCCOc1c(C)cccc1CN 84445805 572555295 /nfs/dbraw/zinc/55/52/95/572555295.db2.gz IAAPNFSSNQFRBZ-UHFFFAOYSA-N 0 3 179.263 2.243 10 0 AEAEHN CCCC(=O)c1ccc(CN)cc1 84444766 572555453 /nfs/dbraw/zinc/55/54/53/572555453.db2.gz MFMGWJDIYDSJJV-UHFFFAOYSA-N 0 3 177.247 2.128 10 0 AEAEHN CC(C)C(=O)[C@@H](N)CC1CCCC1 74284481 572557742 /nfs/dbraw/zinc/55/77/42/572557742.db2.gz FROOCAIGOBMIAL-JTQLQIEISA-N 0 3 183.295 2.119 10 0 AEAEHN CCC(=O)[C@@H](N)CC1CCCCC1 74284486 572556194 /nfs/dbraw/zinc/55/61/94/572556194.db2.gz USNAROPCUNGJOJ-JTQLQIEISA-N 0 3 183.295 2.263 10 0 AEAEHN Cc1cccc(CN)c1OCC(C)C 84454298 572557025 /nfs/dbraw/zinc/55/70/25/572557025.db2.gz BLYWFEDGTLFWEF-UHFFFAOYSA-N 0 3 193.290 2.489 10 0 AEAEHN CC(C)C(=O)[C@H](N)CC1CCCC1 74284478 572557368 /nfs/dbraw/zinc/55/73/68/572557368.db2.gz FROOCAIGOBMIAL-SNVBAGLBSA-N 0 3 183.295 2.119 10 0 AEAEHN [O-]c1cccc([C@@H]2CC[NH2+]2)c1C(F)F 714031631 572557454 /nfs/dbraw/zinc/55/74/54/572557454.db2.gz AGJDSHIBLIKELY-ZETCQYMHSA-N 0 3 199.200 2.364 10 0 AEAEHN CCC(=O)[C@H](N)CC1CCCCC1 74284483 572558093 /nfs/dbraw/zinc/55/80/93/572558093.db2.gz USNAROPCUNGJOJ-SNVBAGLBSA-N 0 3 183.295 2.263 10 0 AEAEHN CC[C@H](N)c1cccnc1OC(C)C 238318989 572558615 /nfs/dbraw/zinc/55/86/15/572558615.db2.gz FZCRESNEFAWPAO-JTQLQIEISA-N 0 3 194.278 2.279 10 0 AEAEHN CCCOc1ccc(CN)c(F)c1 87542624 572559094 /nfs/dbraw/zinc/55/90/94/572559094.db2.gz MQSVQDQMNOYTEB-UHFFFAOYSA-N 0 3 183.226 2.073 10 0 AEAEHN NCc1ccc(OCC2CC2)cc1F 87542633 572559153 /nfs/dbraw/zinc/55/91/53/572559153.db2.gz BMBGFGLMJNAFFX-UHFFFAOYSA-N 0 3 195.237 2.073 10 0 AEAEHN CC[C@H](C)Oc1ccc(CN)c(F)c1 87542642 572559341 /nfs/dbraw/zinc/55/93/41/572559341.db2.gz VNDUQIWKDSWXKK-QMMMGPOBSA-N 0 3 197.253 2.462 10 0 AEAEHN CCCCOc1ccc(CN)c(F)c1 87542591 572559472 /nfs/dbraw/zinc/55/94/72/572559472.db2.gz VDZOYCDKSDIVBI-UHFFFAOYSA-N 0 3 197.253 2.463 10 0 AEAEHN CS[C@H](C)CNC/C=C\Cl 307813688 572560625 /nfs/dbraw/zinc/56/06/25/572560625.db2.gz RNHOQQSIHVBKRG-KFOINNEUSA-N 0 3 179.716 2.080 10 0 AEAEHN CC[C@@H](C)Oc1ccc(CN)c(F)c1 87542641 572560674 /nfs/dbraw/zinc/56/06/74/572560674.db2.gz VNDUQIWKDSWXKK-MRVPVSSYSA-N 0 3 197.253 2.462 10 0 AEAEHN Cc1c[nH]c(NC(C2CC2)C2CC2)n1 235977096 572561029 /nfs/dbraw/zinc/56/10/29/572561029.db2.gz PNUXKIAYNQEKNU-UHFFFAOYSA-N 0 3 191.278 2.319 10 0 AEAEHN CN(C)C/C=C/CNc1ccccc1 238328728 572561504 /nfs/dbraw/zinc/56/15/04/572561504.db2.gz SPVVKZPEIGBJSY-VOTSOKGWSA-N 0 3 190.290 2.216 10 0 AEAEHN CS[C@@H](C)CNC/C=C\Cl 307813687 572561554 /nfs/dbraw/zinc/56/15/54/572561554.db2.gz RNHOQQSIHVBKRG-AVALRIAPSA-N 0 3 179.716 2.080 10 0 AEAEHN CC(C)COc1ccc(CN)c(F)c1 87542602 572561725 /nfs/dbraw/zinc/56/17/25/572561725.db2.gz JCBHVTSRNUEFFQ-UHFFFAOYSA-N 0 3 197.253 2.319 10 0 AEAEHN N[C@@H](COC1CC1)c1cccc(F)c1 713286721 572561728 /nfs/dbraw/zinc/56/17/28/572561728.db2.gz SEPBQAHTNZOSNA-NSHDSACASA-N 0 3 195.237 2.005 10 0 AEAEHN N[C@H](COC1CC1)c1ccccc1F 713285052 572561883 /nfs/dbraw/zinc/56/18/83/572561883.db2.gz HAPRMEMZRAAGKA-LLVKDONJSA-N 0 3 195.237 2.005 10 0 AEAEHN CN[C@H](COC1CC1)c1ccccc1 713287459 572562260 /nfs/dbraw/zinc/56/22/60/572562260.db2.gz YZBYEQLCBXXTAB-GFCCVEGCSA-N 0 3 191.274 2.126 10 0 AEAEHN CN[C@@H](COC1CC1)c1ccccc1 713287461 572563145 /nfs/dbraw/zinc/56/31/45/572563145.db2.gz YZBYEQLCBXXTAB-LBPRGKRZSA-N 0 3 191.274 2.126 10 0 AEAEHN N[C@@H](c1ccco1)C1C[C@@H]2C[C@@H]2C1 87564073 572563237 /nfs/dbraw/zinc/56/32/37/572563237.db2.gz WSJCWWIWRBXTDQ-GQEBFOJWSA-N 0 3 177.247 2.326 10 0 AEAEHN N[C@H](COC1CC1)c1cccc(F)c1 713286714 572563516 /nfs/dbraw/zinc/56/35/16/572563516.db2.gz SEPBQAHTNZOSNA-LLVKDONJSA-N 0 3 195.237 2.005 10 0 AEAEHN N[C@H](c1ccco1)C1C[C@@H]2C[C@@H]2C1 87564075 572563557 /nfs/dbraw/zinc/56/35/57/572563557.db2.gz WSJCWWIWRBXTDQ-DYKKXSAXSA-N 0 3 177.247 2.326 10 0 AEAEHN N[C@@H](COC1CC1)c1ccccc1F 713285053 572564721 /nfs/dbraw/zinc/56/47/21/572564721.db2.gz HAPRMEMZRAAGKA-NSHDSACASA-N 0 3 195.237 2.005 10 0 AEAEHN C[C@@H](OC1CC1)[C@H](N)c1ccccc1 713286665 572565613 /nfs/dbraw/zinc/56/56/13/572565613.db2.gz RTRLTCNWOLLCKP-SKDRFNHKSA-N 0 3 191.274 2.254 10 0 AEAEHN N[C@H](CCC1CC1)c1cncs1 87573914 572568468 /nfs/dbraw/zinc/56/84/68/572568468.db2.gz RVQHCCZDJVZEAL-MRVPVSSYSA-N 0 3 182.292 2.333 10 0 AEAEHN CNCc1csc(COC2CC2)c1 713288772 572568509 /nfs/dbraw/zinc/56/85/09/572568509.db2.gz WGSXNHPBQZOIKY-UHFFFAOYSA-N 0 3 197.303 2.147 10 0 AEAEHN NC1(c2cncs2)[C@H]2CCCC[C@H]21 87575208 572572369 /nfs/dbraw/zinc/57/23/69/572572369.db2.gz CTENXTLATMFMCY-JWHQNHQBSA-N 0 3 194.303 2.117 10 0 AEAEHN N[C@@H](CCC1CC1)c1cncs1 87573915 572568751 /nfs/dbraw/zinc/56/87/51/572568751.db2.gz RVQHCCZDJVZEAL-QMMMGPOBSA-N 0 3 182.292 2.333 10 0 AEAEHN c1coc(CNCC2C[C@@H]3C[C@@H]3C2)c1 87564236 572569877 /nfs/dbraw/zinc/56/98/77/572569877.db2.gz RHLRRIUQTBEHHE-FGWVZKOKSA-N 0 3 191.274 2.415 10 0 AEAEHN CCCn1cc([C@@H](N)C2(C)CC2)cn1 87551315 572570691 /nfs/dbraw/zinc/57/06/91/572570691.db2.gz FXGFGODOFYDAIO-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CN[C@@H](CC1CC1)c1cncs1 87574343 572571079 /nfs/dbraw/zinc/57/10/79/572571079.db2.gz ODJGILQQRGRQQM-QMMMGPOBSA-N 0 3 182.292 2.204 10 0 AEAEHN CN[C@H](CC(C)C)c1cncs1 87574324 572571409 /nfs/dbraw/zinc/57/14/09/572571409.db2.gz LKCRLSRIXVZHJP-MRVPVSSYSA-N 0 3 184.308 2.450 10 0 AEAEHN Cc1ccsc1[C@@H](CN)OC1CC1 713298023 572571465 /nfs/dbraw/zinc/57/14/65/572571465.db2.gz SGRCAYOVJLUDPV-SECBINFHSA-N 0 3 197.303 2.235 10 0 AEAEHN CCCn1nccc1[C@@H](N)C1(C)CC1 87550554 572571889 /nfs/dbraw/zinc/57/18/89/572571889.db2.gz MRLIDLVUKHCISU-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CCC[C@@H]1CCC(=O)[C@H](CN(C)C)C1 53926086 572572668 /nfs/dbraw/zinc/57/26/68/572572668.db2.gz KLRWPEMAMQCLQC-MNOVXSKESA-N 0 3 197.322 2.334 10 0 AEAEHN CCCn1nccc1[C@H](N)C1(C)CC1 87550552 572573182 /nfs/dbraw/zinc/57/31/82/572573182.db2.gz MRLIDLVUKHCISU-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CCc1onc(CNCC(C)C)c1C 87547439 572573384 /nfs/dbraw/zinc/57/33/84/572573384.db2.gz DZXFLYFFAWOSLW-UHFFFAOYSA-N 0 3 196.294 2.291 10 0 AEAEHN Cc1ccsc1[C@H](CN)OC1CC1 713298024 572573506 /nfs/dbraw/zinc/57/35/06/572573506.db2.gz SGRCAYOVJLUDPV-VIFPVBQESA-N 0 3 197.303 2.235 10 0 AEAEHN CN[C@H](CC1CC1)c1cncs1 87574344 572573494 /nfs/dbraw/zinc/57/34/94/572573494.db2.gz ODJGILQQRGRQQM-MRVPVSSYSA-N 0 3 182.292 2.204 10 0 AEAEHN CN[C@@H](CC(C)C)c1cncs1 87574323 572573628 /nfs/dbraw/zinc/57/36/28/572573628.db2.gz LKCRLSRIXVZHJP-QMMMGPOBSA-N 0 3 184.308 2.450 10 0 AEAEHN CCCn1cc([C@H](N)C2(C)CC2)cn1 87551314 572573740 /nfs/dbraw/zinc/57/37/40/572573740.db2.gz FXGFGODOFYDAIO-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CCN[C@@H](c1cncs1)C1CC1 87574651 572573989 /nfs/dbraw/zinc/57/39/89/572573989.db2.gz AZQILTSHQRGNBN-SECBINFHSA-N 0 3 182.292 2.204 10 0 AEAEHN CCN[C@H](c1cncs1)C1CC1 87574652 572573996 /nfs/dbraw/zinc/57/39/96/572573996.db2.gz AZQILTSHQRGNBN-VIFPVBQESA-N 0 3 182.292 2.204 10 0 AEAEHN CCCn1nccc1[C@H](N)CC1CC1 87581657 572575042 /nfs/dbraw/zinc/57/50/42/572575042.db2.gz POLUQJCXYZQXKG-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CSC[C@@H](C)N(C)CC1(F)CC1 308068796 572575840 /nfs/dbraw/zinc/57/58/40/572575840.db2.gz ADAFCTKRZOLYEJ-MRVPVSSYSA-N 0 3 191.315 2.172 10 0 AEAEHN CCCn1nccc1[C@@H](N)CC1CC1 87581659 572576268 /nfs/dbraw/zinc/57/62/68/572576268.db2.gz POLUQJCXYZQXKG-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CC(C)(C)c1ncc(C(C)(C)N)o1 74300400 572577100 /nfs/dbraw/zinc/57/71/00/572577100.db2.gz ZEBDPIQRYFXOQY-UHFFFAOYSA-N 0 3 182.267 2.166 10 0 AEAEHN CSC[C@H](C)N(C)CC1(F)CC1 308068797 572576849 /nfs/dbraw/zinc/57/68/49/572576849.db2.gz ADAFCTKRZOLYEJ-QMMMGPOBSA-N 0 3 191.315 2.172 10 0 AEAEHN Cc1ccc(C)c(OCCN(C)C)c1 87555545 572576959 /nfs/dbraw/zinc/57/69/59/572576959.db2.gz XERHQXTXUSLHJD-UHFFFAOYSA-N 0 3 193.290 2.244 10 0 AEAEHN CCCn1ccnc1[C@H](N)CC1CC1 87582067 572576965 /nfs/dbraw/zinc/57/69/65/572576965.db2.gz OGEAXHBHIVUYSO-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CCNCc1cnc(C2(C)CC2)s1 87553469 572577265 /nfs/dbraw/zinc/57/72/65/572577265.db2.gz HCJOOYXIJOKBAF-UHFFFAOYSA-N 0 3 196.319 2.304 10 0 AEAEHN CCOC[C@H](N)c1ccc(C)s1 84744147 572577289 /nfs/dbraw/zinc/57/72/89/572577289.db2.gz QCHSNALVUSQEHJ-QMMMGPOBSA-N 0 3 185.292 2.093 10 0 AEAEHN CCCn1ccnc1[C@@H](N)CC1CC1 87582069 572577400 /nfs/dbraw/zinc/57/74/00/572577400.db2.gz OGEAXHBHIVUYSO-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CNCc1sc(CC2CC2)nc1C 87583653 572578258 /nfs/dbraw/zinc/57/82/58/572578258.db2.gz GYAQULGYGOFZCU-UHFFFAOYSA-N 0 3 196.319 2.123 10 0 AEAEHN CCNCc1cnc(CC2CC2)s1 87583230 572578745 /nfs/dbraw/zinc/57/87/45/572578745.db2.gz PELMJWZKYBGHQJ-UHFFFAOYSA-N 0 3 196.319 2.205 10 0 AEAEHN Cl/C=C/CNCCc1ccco1 236013719 572578794 /nfs/dbraw/zinc/57/87/94/572578794.db2.gz MHLRAMNZMZGQAE-GORDUTHDSA-N 0 3 185.654 2.164 10 0 AEAEHN CCN(CC)Cc1coc(C)c1N 74300422 572578913 /nfs/dbraw/zinc/57/89/13/572578913.db2.gz JORNJOZAXWBZIF-UHFFFAOYSA-N 0 3 182.267 2.012 10 0 AEAEHN CCN(CC)Cc1c(N)coc1C 74300418 572579913 /nfs/dbraw/zinc/57/99/13/572579913.db2.gz PLKOMRRYDZFMDL-UHFFFAOYSA-N 0 3 182.267 2.012 10 0 AEAEHN CN[C@H](C)c1cnc(CC2CC2)s1 87583263 572579960 /nfs/dbraw/zinc/57/99/60/572579960.db2.gz SNZLNGSMCAQPCO-SSDOTTSWSA-N 0 3 196.319 2.376 10 0 AEAEHN CCN(CC)Cc1occ(C)c1N 74300416 572579998 /nfs/dbraw/zinc/57/99/98/572579998.db2.gz KCSZBUNGQQINRR-UHFFFAOYSA-N 0 3 182.267 2.012 10 0 AEAEHN CN[C@@H](C)c1cnc(CC2CC2)s1 87583260 572580057 /nfs/dbraw/zinc/58/00/57/572580057.db2.gz SNZLNGSMCAQPCO-ZETCQYMHSA-N 0 3 196.319 2.376 10 0 AEAEHN CCN(CC)Cc1oc(C)cc1N 74300421 572580862 /nfs/dbraw/zinc/58/08/62/572580862.db2.gz HDTDWWNIZAPECK-UHFFFAOYSA-N 0 3 182.267 2.012 10 0 AEAEHN C[C@@H](N)c1cccnc1OC(C)(C)C 235171528 572581597 /nfs/dbraw/zinc/58/15/97/572581597.db2.gz YUYPZTPGHMNIBK-MRVPVSSYSA-N 0 3 194.278 2.279 10 0 AEAEHN C[C@@H](N)c1cccnc1OC1CCC1 235171605 572582878 /nfs/dbraw/zinc/58/28/78/572582878.db2.gz OLJMHOHKSLMGME-MRVPVSSYSA-N 0 3 192.262 2.033 10 0 AEAEHN Cc1nscc1[C@H](N)CC1CC1 74300138 572582971 /nfs/dbraw/zinc/58/29/71/572582971.db2.gz DNNXDZPLYJDJRK-SECBINFHSA-N 0 3 182.292 2.251 10 0 AEAEHN C=Cc1ccoc1CNCCC 230791197 572583414 /nfs/dbraw/zinc/58/34/14/572583414.db2.gz FDNSORWPXOPHTF-UHFFFAOYSA-N 0 3 165.236 2.422 10 0 AEAEHN Cc1cnc([C@H](N)CC2CC2)s1 74300141 572583482 /nfs/dbraw/zinc/58/34/82/572583482.db2.gz RXDKSZZTEDSAHI-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1nscc1[C@@H](N)CC1CC1 74300139 572584311 /nfs/dbraw/zinc/58/43/11/572584311.db2.gz DNNXDZPLYJDJRK-VIFPVBQESA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1scnc1[C@@H](N)CC1CC1 74300065 572585207 /nfs/dbraw/zinc/58/52/07/572585207.db2.gz ZOXIEPLZKPDACV-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN NCc1cnsc1C1CCCC1 74300106 572585252 /nfs/dbraw/zinc/58/52/52/572585252.db2.gz XQBKHWOJINKWCP-UHFFFAOYSA-N 0 3 182.292 2.259 10 0 AEAEHN CCn1ccnc1[C@@H]1CCCCCN1 69841883 572585578 /nfs/dbraw/zinc/58/55/78/572585578.db2.gz STEXCBNUMKQGJW-JTQLQIEISA-N 0 3 193.294 2.108 10 0 AEAEHN Cc1cnc([C@@H](N)CC2CC2)s1 74300143 572586063 /nfs/dbraw/zinc/58/60/63/572586063.db2.gz RXDKSZZTEDSAHI-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN CCn1ccnc1[C@H]1CCCCCN1 69841887 572587282 /nfs/dbraw/zinc/58/72/82/572587282.db2.gz STEXCBNUMKQGJW-SNVBAGLBSA-N 0 3 193.294 2.108 10 0 AEAEHN CCCN(CC)[C@@H](CC)C(C)=O 114789387 572588077 /nfs/dbraw/zinc/58/80/77/572588077.db2.gz DUPXWQRNDHVMCC-JTQLQIEISA-N 0 3 171.284 2.086 10 0 AEAEHN CCCCCC[C@@H](NC)c1cn[nH]n1 87600617 572591055 /nfs/dbraw/zinc/59/10/55/572591055.db2.gz ZRGUBEMQWSRUJO-SECBINFHSA-N 0 3 196.298 2.036 10 0 AEAEHN c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)ccn1 403166499 572588982 /nfs/dbraw/zinc/58/89/82/572588982.db2.gz BOTBDMYOXZFVAA-JBLDHEPKSA-N 0 3 188.274 2.104 10 0 AEAEHN Clc1occc1CNCC1CC1 236044978 572591065 /nfs/dbraw/zinc/59/10/65/572591065.db2.gz KZMUZPIDEWLZAU-UHFFFAOYSA-N 0 3 185.654 2.433 10 0 AEAEHN c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccn1 403166497 572589965 /nfs/dbraw/zinc/58/99/65/572589965.db2.gz BOTBDMYOXZFVAA-CKYFFXLPSA-N 0 3 188.274 2.104 10 0 AEAEHN CCCN(CC)[C@H](CC)C(C)=O 114789389 572590280 /nfs/dbraw/zinc/59/02/80/572590280.db2.gz DUPXWQRNDHVMCC-SNVBAGLBSA-N 0 3 171.284 2.086 10 0 AEAEHN CC(C)(C)C[C@H](N)c1cccnc1N 69845786 572590713 /nfs/dbraw/zinc/59/07/13/572590713.db2.gz PMSFOZGLRRICLQ-VIFPVBQESA-N 0 3 193.294 2.100 10 0 AEAEHN CN[C@H](CC(C)C)c1cscn1 87594739 572591267 /nfs/dbraw/zinc/59/12/67/572591267.db2.gz HMAZFLZLRMTIFX-MRVPVSSYSA-N 0 3 184.308 2.450 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1cnccc1N 69845793 572591436 /nfs/dbraw/zinc/59/14/36/572591436.db2.gz HHOANMVSSVLTIG-SNVBAGLBSA-N 0 3 193.294 2.100 10 0 AEAEHN CCN[C@H](c1cscn1)C1CC1 87595299 572591685 /nfs/dbraw/zinc/59/16/85/572591685.db2.gz AGONMPMNBOUMFY-VIFPVBQESA-N 0 3 182.292 2.204 10 0 AEAEHN CCN[C@@H](c1cscn1)C(C)C 87595260 572591996 /nfs/dbraw/zinc/59/19/96/572591996.db2.gz QRQZMWYWDJNXKT-SECBINFHSA-N 0 3 184.308 2.450 10 0 AEAEHN N[C@H](CCC1CC1)c1cscn1 87589574 572592080 /nfs/dbraw/zinc/59/20/80/572592080.db2.gz QNVPPMPDNJDCDM-MRVPVSSYSA-N 0 3 182.292 2.333 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1cccnc1N 69845790 572592342 /nfs/dbraw/zinc/59/23/42/572592342.db2.gz PMSFOZGLRRICLQ-SECBINFHSA-N 0 3 193.294 2.100 10 0 AEAEHN CC(C)(C)C[C@H](N)c1cnccc1N 69845791 572592494 /nfs/dbraw/zinc/59/24/94/572592494.db2.gz HHOANMVSSVLTIG-JTQLQIEISA-N 0 3 193.294 2.100 10 0 AEAEHN CN[C@@H](CC(C)C)c1cscn1 87594737 572593212 /nfs/dbraw/zinc/59/32/12/572593212.db2.gz HMAZFLZLRMTIFX-QMMMGPOBSA-N 0 3 184.308 2.450 10 0 AEAEHN N[C@@H](CCC1CC1)c1cscn1 87589575 572593515 /nfs/dbraw/zinc/59/35/15/572593515.db2.gz QNVPPMPDNJDCDM-QMMMGPOBSA-N 0 3 182.292 2.333 10 0 AEAEHN CC(C)(C)C[C@@H](O)c1cnccc1N 69844459 572593469 /nfs/dbraw/zinc/59/34/69/572593469.db2.gz BKJRLLLCEBMTFB-SNVBAGLBSA-N 0 3 194.278 2.133 10 0 AEAEHN CN[C@H](CC1CC1)c1cscn1 87594772 572594282 /nfs/dbraw/zinc/59/42/82/572594282.db2.gz WNTKUBDOVSSPLT-MRVPVSSYSA-N 0 3 182.292 2.204 10 0 AEAEHN CC[C@@H](C)[C@@H](NC)c1cscn1 87595000 572593820 /nfs/dbraw/zinc/59/38/20/572593820.db2.gz JKUPLJOBKAZDJP-VXNVDRBHSA-N 0 3 184.308 2.450 10 0 AEAEHN CCCCCC[C@H](NC)c1cn[nH]n1 87600616 572593948 /nfs/dbraw/zinc/59/39/48/572593948.db2.gz ZRGUBEMQWSRUJO-VIFPVBQESA-N 0 3 196.298 2.036 10 0 AEAEHN CC(C)(C)C[C@H](O)c1cnccc1N 69844458 572594083 /nfs/dbraw/zinc/59/40/83/572594083.db2.gz BKJRLLLCEBMTFB-JTQLQIEISA-N 0 3 194.278 2.133 10 0 AEAEHN CN[C@@H](CC1CC1)c1cscn1 87594769 572594145 /nfs/dbraw/zinc/59/41/45/572594145.db2.gz WNTKUBDOVSSPLT-QMMMGPOBSA-N 0 3 182.292 2.204 10 0 AEAEHN CCN[C@H](c1cscn1)C(C)C 87595262 572594359 /nfs/dbraw/zinc/59/43/59/572594359.db2.gz QRQZMWYWDJNXKT-VIFPVBQESA-N 0 3 184.308 2.450 10 0 AEAEHN CC[C@H](C)[C@H](NC)c1cscn1 87594998 572595071 /nfs/dbraw/zinc/59/50/71/572595071.db2.gz JKUPLJOBKAZDJP-CBAPKCEASA-N 0 3 184.308 2.450 10 0 AEAEHN NC1(c2cscn2)[C@H]2CCCC[C@H]21 87596139 572595188 /nfs/dbraw/zinc/59/51/88/572595188.db2.gz HZVBJYVYSBVXII-JWHQNHQBSA-N 0 3 194.303 2.117 10 0 AEAEHN CCN[C@@H](c1cscn1)C1CC1 87595297 572595470 /nfs/dbraw/zinc/59/54/70/572595470.db2.gz AGONMPMNBOUMFY-SECBINFHSA-N 0 3 182.292 2.204 10 0 AEAEHN CC[C@@H](C)[C@H](NC)c1cscn1 87594995 572595477 /nfs/dbraw/zinc/59/54/77/572595477.db2.gz JKUPLJOBKAZDJP-APPZFPTMSA-N 0 3 184.308 2.450 10 0 AEAEHN CC[C@H](C(C)C)[C@H](N)c1cnoc1 74300306 572596732 /nfs/dbraw/zinc/59/67/32/572596732.db2.gz OJEMBTKKRPFOCL-NXEZZACHSA-N 0 3 182.267 2.357 10 0 AEAEHN FC(F)CCNCc1cccs1 308070630 572596846 /nfs/dbraw/zinc/59/68/46/572596846.db2.gz AVYVXTKBVMDJSX-UHFFFAOYSA-N 0 3 191.246 2.493 10 0 AEAEHN CC[C@H](C(C)C)[C@H](N)c1ccon1 74300314 572598251 /nfs/dbraw/zinc/59/82/51/572598251.db2.gz YWSAYQVENCDJED-SCZZXKLOSA-N 0 3 182.267 2.357 10 0 AEAEHN CC[C@@H](C(C)C)[C@@H](N)c1cnoc1 74300307 572599243 /nfs/dbraw/zinc/59/92/43/572599243.db2.gz OJEMBTKKRPFOCL-UWVGGRQHSA-N 0 3 182.267 2.357 10 0 AEAEHN CC[C@@H](C(C)C)[C@H](N)c1ccon1 74300311 572599521 /nfs/dbraw/zinc/59/95/21/572599521.db2.gz YWSAYQVENCDJED-WPRPVWTQSA-N 0 3 182.267 2.357 10 0 AEAEHN Cc1nc([C@@H](N)[C@@H](C)C2CC2)co1 74303257 572601075 /nfs/dbraw/zinc/60/10/75/572601075.db2.gz SJKJXIXGLPYFGT-WKEGUHRASA-N 0 3 180.251 2.029 10 0 AEAEHN Cc1nc([C@@H](N)CC2CC2)c(C)o1 74303298 572601526 /nfs/dbraw/zinc/60/15/26/572601526.db2.gz YXXAMHXFASWMBB-VIFPVBQESA-N 0 3 180.251 2.091 10 0 AEAEHN Cc1nc([C@H](N)[C@@H](C)C2CC2)co1 74303256 572601611 /nfs/dbraw/zinc/60/16/11/572601611.db2.gz SJKJXIXGLPYFGT-QUBYGPBYSA-N 0 3 180.251 2.029 10 0 AEAEHN N[C@@H](CC1CCCC1)c1ccon1 74303506 572601732 /nfs/dbraw/zinc/60/17/32/572601732.db2.gz LWDSCIPYNFOZAZ-VIFPVBQESA-N 0 3 180.251 2.255 10 0 AEAEHN N[C@@H](c1cnoc1)C1CCCCC1 74303272 572601741 /nfs/dbraw/zinc/60/17/41/572601741.db2.gz DLJTVNFWKFIWGC-SNVBAGLBSA-N 0 3 180.251 2.255 10 0 AEAEHN N[C@H](CC1CCCC1)c1ccon1 74303504 572602147 /nfs/dbraw/zinc/60/21/47/572602147.db2.gz LWDSCIPYNFOZAZ-SECBINFHSA-N 0 3 180.251 2.255 10 0 AEAEHN N[C@H](CC1CCCC1)c1cnoc1 74303513 572602248 /nfs/dbraw/zinc/60/22/48/572602248.db2.gz ODLSCGMXRKGIAW-SNVBAGLBSA-N 0 3 180.251 2.255 10 0 AEAEHN NCc1conc1C1CCCCC1 74303521 572602377 /nfs/dbraw/zinc/60/23/77/572602377.db2.gz AVFXXBMCGLGRIE-UHFFFAOYSA-N 0 3 180.251 2.181 10 0 AEAEHN N[C@H](c1cnoc1)C1CCCCC1 74303273 572603137 /nfs/dbraw/zinc/60/31/37/572603137.db2.gz DLJTVNFWKFIWGC-JTQLQIEISA-N 0 3 180.251 2.255 10 0 AEAEHN Cc1nc([C@H](N)[C@H](C)C2CC2)co1 74303259 572603192 /nfs/dbraw/zinc/60/31/92/572603192.db2.gz SJKJXIXGLPYFGT-LHLIQPBNSA-N 0 3 180.251 2.029 10 0 AEAEHN C/C(=C/Br)CNC(C)C 307844721 572603410 /nfs/dbraw/zinc/60/34/10/572603410.db2.gz JCHUHNZYUSUKOD-DAXSKMNVSA-N 0 3 192.100 2.283 10 0 AEAEHN N[C@@H](CC1CCCC1)c1cnoc1 74303514 572603774 /nfs/dbraw/zinc/60/37/74/572603774.db2.gz ODLSCGMXRKGIAW-JTQLQIEISA-N 0 3 180.251 2.255 10 0 AEAEHN Cc1nc([C@@H](N)[C@H](C)C2CC2)co1 74303260 572604131 /nfs/dbraw/zinc/60/41/31/572604131.db2.gz SJKJXIXGLPYFGT-LDWIPMOCSA-N 0 3 180.251 2.029 10 0 AEAEHN Cc1nc([C@H](N)CC2CC2)c(C)o1 74303297 572604201 /nfs/dbraw/zinc/60/42/01/572604201.db2.gz YXXAMHXFASWMBB-SECBINFHSA-N 0 3 180.251 2.091 10 0 AEAEHN CC1(C)CCc2c(CN)coc2C1 74304704 572606712 /nfs/dbraw/zinc/60/67/12/572606712.db2.gz VWGCYUYCNYBIJR-UHFFFAOYSA-N 0 3 179.263 2.253 10 0 AEAEHN C[C@H](N)c1cc(C2CCCC2)n[nH]1 74304581 572607236 /nfs/dbraw/zinc/60/72/36/572607236.db2.gz LTVYWHUSLABWEY-ZETCQYMHSA-N 0 3 179.267 2.087 10 0 AEAEHN Cc1cc2c(CN)nccc2s1 74305824 572608231 /nfs/dbraw/zinc/60/82/31/572608231.db2.gz RHSYGIXCKLAYQW-UHFFFAOYSA-N 0 3 178.260 2.063 10 0 AEAEHN CC(C)(C)Cc1ccnc(CN)c1 74305714 572609564 /nfs/dbraw/zinc/60/95/64/572609564.db2.gz RUCKYZUBORCRJV-UHFFFAOYSA-N 0 3 178.279 2.129 10 0 AEAEHN CC(C)CCc1ccncc1CN 74305738 572609642 /nfs/dbraw/zinc/60/96/42/572609642.db2.gz JLVLWURSILNIQX-UHFFFAOYSA-N 0 3 178.279 2.129 10 0 AEAEHN Cc1csc2ccnc(CN)c12 74305822 572609918 /nfs/dbraw/zinc/60/99/18/572609918.db2.gz VYSFFGRPWVBCML-UHFFFAOYSA-N 0 3 178.260 2.063 10 0 AEAEHN Cn1ccnc1Nc1ccc(F)cc1 236081521 572610657 /nfs/dbraw/zinc/61/06/57/572610657.db2.gz ZKSFUGNDPSFQMC-UHFFFAOYSA-N 0 3 191.209 2.303 10 0 AEAEHN Cn1ccnc1Nc1cccc(F)c1 236081693 572611129 /nfs/dbraw/zinc/61/11/29/572611129.db2.gz WOVYXCPAANAWRS-UHFFFAOYSA-N 0 3 191.209 2.303 10 0 AEAEHN CC(C)CCc1ccnc(CN)c1 74305712 572611261 /nfs/dbraw/zinc/61/12/61/572611261.db2.gz JYEQDTLLISVRQG-UHFFFAOYSA-N 0 3 178.279 2.129 10 0 AEAEHN [NH3+]Cc1ccc(-c2ccoc2)c([O-])c1 140857260 572611282 /nfs/dbraw/zinc/61/12/82/572611282.db2.gz CUGXXWXYSLPKRA-UHFFFAOYSA-N 0 3 189.214 2.111 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cc(C)cnc1N 69943106 572612101 /nfs/dbraw/zinc/61/21/01/572612101.db2.gz PRBYZIMTEGQQEO-WPRPVWTQSA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1cnc(N)c([C@H](N)C(C)(C)C)c1 69942995 572612541 /nfs/dbraw/zinc/61/25/41/572612541.db2.gz IDHZTOIKDUIFFW-VIFPVBQESA-N 0 3 193.294 2.018 10 0 AEAEHN N[C@H](CC1CCOCC1)c1ccoc1 69946309 572612639 /nfs/dbraw/zinc/61/26/39/572612639.db2.gz LAJSEBHKBQIWCC-LLVKDONJSA-N 0 3 195.262 2.096 10 0 AEAEHN CCC(=O)CN1CCCCC[C@H]1C 69945292 572612664 /nfs/dbraw/zinc/61/26/64/572612664.db2.gz WHRPRGQCQIENBY-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN N[C@@H](CC1CCOCC1)c1ccoc1 69946310 572612711 /nfs/dbraw/zinc/61/27/11/572612711.db2.gz LAJSEBHKBQIWCC-NSHDSACASA-N 0 3 195.262 2.096 10 0 AEAEHN C[C@@H]1CCCCCN1CC(=O)C1CC1 69945303 572612767 /nfs/dbraw/zinc/61/27/67/572612767.db2.gz XTTSJFQCNFKHOO-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1cccc2c1[C@H](N)C[C@@H](C)O2 74307065 572612798 /nfs/dbraw/zinc/61/27/98/572612798.db2.gz QMCIZXURNKNOQJ-RKDXNWHRSA-N 0 3 177.247 2.166 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cc(C)cnc1N 69943105 572612805 /nfs/dbraw/zinc/61/28/05/572612805.db2.gz PRBYZIMTEGQQEO-SCZZXKLOSA-N 0 3 193.294 2.018 10 0 AEAEHN C[C@H]1CCCCCN1CC(=O)C1CC1 69945304 572613020 /nfs/dbraw/zinc/61/30/20/572613020.db2.gz XTTSJFQCNFKHOO-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1cnc(N)c([C@@H](N)C(C)(C)C)c1 69942996 572613281 /nfs/dbraw/zinc/61/32/81/572613281.db2.gz IDHZTOIKDUIFFW-SECBINFHSA-N 0 3 193.294 2.018 10 0 AEAEHN C[C@@H](CF)NCCc1ccccc1 107128489 572613542 /nfs/dbraw/zinc/61/35/42/572613542.db2.gz IVAZOOFSXJQANK-JTQLQIEISA-N 0 3 181.254 2.177 10 0 AEAEHN CCN[C@@H](CF)Cc1ccccc1 107128487 572613589 /nfs/dbraw/zinc/61/35/89/572613589.db2.gz VNNMFARIWXXODX-LLVKDONJSA-N 0 3 181.254 2.177 10 0 AEAEHN Cc1cnc(N)c([C@@H](N)CC(C)C)c1 69942980 572613924 /nfs/dbraw/zinc/61/39/24/572613924.db2.gz DRDMAHUPDNBDSV-JTQLQIEISA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1cccc2c1[C@@H](N)C[C@H](C)O2 74307063 572613928 /nfs/dbraw/zinc/61/39/28/572613928.db2.gz QMCIZXURNKNOQJ-IUCAKERBSA-N 0 3 177.247 2.166 10 0 AEAEHN CC[C@H](C)[C@H](N)c1c(C)ccnc1N 69942437 572614253 /nfs/dbraw/zinc/61/42/53/572614253.db2.gz RXBRDWPQGDYAMX-XVKPBYJWSA-N 0 3 193.294 2.018 10 0 AEAEHN CCC(=O)CN1CCCCC[C@@H]1C 69945291 572614480 /nfs/dbraw/zinc/61/44/80/572614480.db2.gz WHRPRGQCQIENBY-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN Cc1cccc2c1[C@H](N)C[C@H](C)O2 74307060 572614556 /nfs/dbraw/zinc/61/45/56/572614556.db2.gz QMCIZXURNKNOQJ-DTWKUNHWSA-N 0 3 177.247 2.166 10 0 AEAEHN Cc1cccc2c1[C@@H](N)C[C@@H](C)O2 74307067 572614573 /nfs/dbraw/zinc/61/45/73/572614573.db2.gz QMCIZXURNKNOQJ-BDAKNGLRSA-N 0 3 177.247 2.166 10 0 AEAEHN CCN[C@H](CF)Cc1ccccc1 107128483 572614709 /nfs/dbraw/zinc/61/47/09/572614709.db2.gz VNNMFARIWXXODX-NSHDSACASA-N 0 3 181.254 2.177 10 0 AEAEHN CCN(CCC(=O)C(C)(C)C)C1CC1 54026396 572614731 /nfs/dbraw/zinc/61/47/31/572614731.db2.gz ZVYHZYRFNOLFMC-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1c(C)ccnc1N 69942439 572615158 /nfs/dbraw/zinc/61/51/58/572615158.db2.gz RXBRDWPQGDYAMX-OIBJUYFYSA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1cnc(N)c([C@H](N)CC(C)C)c1 69942979 572615279 /nfs/dbraw/zinc/61/52/79/572615279.db2.gz DRDMAHUPDNBDSV-SNVBAGLBSA-N 0 3 193.294 2.018 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cc(C)cnc1N 69943107 572615577 /nfs/dbraw/zinc/61/55/77/572615577.db2.gz PRBYZIMTEGQQEO-PSASIEDQSA-N 0 3 193.294 2.018 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1c(C)ccnc1N 69942436 572615748 /nfs/dbraw/zinc/61/57/48/572615748.db2.gz RXBRDWPQGDYAMX-XCBNKYQSSA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1nc([C@@H](N)CCC(C)C)c[nH]1 74301491 572615789 /nfs/dbraw/zinc/61/57/89/572615789.db2.gz XRJMHPWTYQNWQQ-VIFPVBQESA-N 0 3 181.283 2.154 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1c(C)ccnc1N 69942438 572615803 /nfs/dbraw/zinc/61/58/03/572615803.db2.gz RXBRDWPQGDYAMX-GMSGAONNSA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1c[nH]nc1[C@@H](N)CCC(C)C 74301510 572616480 /nfs/dbraw/zinc/61/64/80/572616480.db2.gz FIRFKXGWCKUABH-VIFPVBQESA-N 0 3 181.283 2.154 10 0 AEAEHN Cc1n[nH]c([C@H](N)CC(C)C)c1C 74301503 572616973 /nfs/dbraw/zinc/61/69/73/572616973.db2.gz LNLMFZQSBVTSTK-SECBINFHSA-N 0 3 181.283 2.072 10 0 AEAEHN Fc1ccnc([C@H]2CCCCN2)c1 713728938 572617583 /nfs/dbraw/zinc/61/75/83/572617583.db2.gz NRYDDLAKGFVTOU-SECBINFHSA-N 0 3 180.226 2.035 10 0 AEAEHN Fc1ccnc([C@@H]2CCCCN2)c1 713728946 572617626 /nfs/dbraw/zinc/61/76/26/572617626.db2.gz NRYDDLAKGFVTOU-VIFPVBQESA-N 0 3 180.226 2.035 10 0 AEAEHN NC1(C(=O)C2CC2)CCCCCC1 74301558 572617900 /nfs/dbraw/zinc/61/79/00/572617900.db2.gz FBHYFTWNWIKVSY-UHFFFAOYSA-N 0 3 181.279 2.017 10 0 AEAEHN CCC[C@H](N)c1nscc1C 74310827 572624947 /nfs/dbraw/zinc/62/49/47/572624947.db2.gz MFDDPHDQLJUZLA-ZETCQYMHSA-N 0 3 170.281 2.251 10 0 AEAEHN Cc1n[nH]c([C@@H](N)CC(C)C)c1C 74301505 572618623 /nfs/dbraw/zinc/61/86/23/572618623.db2.gz LNLMFZQSBVTSTK-VIFPVBQESA-N 0 3 181.283 2.072 10 0 AEAEHN Cc1nc([C@H](N)CCC(C)C)c[nH]1 74301489 572618797 /nfs/dbraw/zinc/61/87/97/572618797.db2.gz XRJMHPWTYQNWQQ-SECBINFHSA-N 0 3 181.283 2.154 10 0 AEAEHN Cc1c[nH]nc1[C@H](N)CCC(C)C 74301509 572618817 /nfs/dbraw/zinc/61/88/17/572618817.db2.gz FIRFKXGWCKUABH-SECBINFHSA-N 0 3 181.283 2.154 10 0 AEAEHN Cc1cc(C(C)(C)N)c(F)s1 74309527 572622049 /nfs/dbraw/zinc/62/20/49/572622049.db2.gz TUPKQNDNZFEIAJ-UHFFFAOYSA-N 0 3 173.256 2.389 10 0 AEAEHN CCC[C@@H](N)c1cc(C)sn1 74310836 572622675 /nfs/dbraw/zinc/62/26/75/572622675.db2.gz XBSOGMXQLGVZHJ-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN CC(C)c1cc([C@H](C)N)sn1 74310822 572622872 /nfs/dbraw/zinc/62/28/72/572622872.db2.gz PIOAFSKFEJNFSG-LURJTMIESA-N 0 3 170.281 2.286 10 0 AEAEHN CCC[C@@H](N)c1nscc1C 74310828 572622926 /nfs/dbraw/zinc/62/29/26/572622926.db2.gz MFDDPHDQLJUZLA-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN Cc1cccc2ccnc(CN)c12 74310059 572624820 /nfs/dbraw/zinc/62/48/20/572624820.db2.gz HAPNZNNPKLAPOG-UHFFFAOYSA-N 0 3 172.231 2.002 10 0 AEAEHN CCN(CC)Cc1ccnc(F)c1 115538097 572624855 /nfs/dbraw/zinc/62/48/55/572624855.db2.gz YGOFNTLCCCQTHP-UHFFFAOYSA-N 0 3 182.242 2.063 10 0 AEAEHN CCC[C@H](N)c1csnc1C 74310843 572625087 /nfs/dbraw/zinc/62/50/87/572625087.db2.gz PFYOMEJJOZGNLF-QMMMGPOBSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@H](N)c1cnsc1C 74310831 572625392 /nfs/dbraw/zinc/62/53/92/572625392.db2.gz CJIGFGAVIFAABI-QMMMGPOBSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@@H](N)c1csnc1C 74310844 572625414 /nfs/dbraw/zinc/62/54/14/572625414.db2.gz PFYOMEJJOZGNLF-MRVPVSSYSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@H](N)c1cc(C)sn1 74310834 572625615 /nfs/dbraw/zinc/62/56/15/572625615.db2.gz XBSOGMXQLGVZHJ-ZETCQYMHSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@@H](N)c1cnsc1C 74310833 572625643 /nfs/dbraw/zinc/62/56/43/572625643.db2.gz CJIGFGAVIFAABI-MRVPVSSYSA-N 0 3 170.281 2.251 10 0 AEAEHN COC[C@H](N)c1ccccc1C(C)C 238365424 572626631 /nfs/dbraw/zinc/62/66/31/572626631.db2.gz PZMDMBBARYUKFI-LBPRGKRZSA-N 0 3 193.290 2.456 10 0 AEAEHN CC[C@H](N)c1cc2occc2cn1 74308051 572630506 /nfs/dbraw/zinc/63/05/06/572630506.db2.gz QTDNDWXJSXELKE-QMMMGPOBSA-N 0 3 176.219 2.238 10 0 AEAEHN CC[C@@H](N)c1cc2occc2cn1 74308054 572631489 /nfs/dbraw/zinc/63/14/89/572631489.db2.gz QTDNDWXJSXELKE-MRVPVSSYSA-N 0 3 176.219 2.238 10 0 AEAEHN CCc1nccn1-c1ccncc1C 70048281 572631519 /nfs/dbraw/zinc/63/15/19/572631519.db2.gz WDYWWFOWNLYNOC-UHFFFAOYSA-N 0 3 187.246 2.138 10 0 AEAEHN CC[C@H](N)c1ccc2occc2n1 74308045 572631960 /nfs/dbraw/zinc/63/19/60/572631960.db2.gz MLIGXSZQGLJTIU-ZETCQYMHSA-N 0 3 176.219 2.238 10 0 AEAEHN CC[C@H](N)c1onc2ccccc12 74308113 572632354 /nfs/dbraw/zinc/63/23/54/572632354.db2.gz IPYHOAGVXSVJNQ-QMMMGPOBSA-N 0 3 176.219 2.238 10 0 AEAEHN CC[C@@H](N)c1onc2ccccc12 74308114 572632463 /nfs/dbraw/zinc/63/24/63/572632463.db2.gz IPYHOAGVXSVJNQ-MRVPVSSYSA-N 0 3 176.219 2.238 10 0 AEAEHN NCc1cnccc1C1CCCC1 74307844 572632511 /nfs/dbraw/zinc/63/25/11/572632511.db2.gz JUSOOJHMSATLJM-UHFFFAOYSA-N 0 3 176.263 2.198 10 0 AEAEHN NCc1cc(C2CCCC2)ccn1 74307845 572632721 /nfs/dbraw/zinc/63/27/21/572632721.db2.gz ORFVHRIRWAUFFW-UHFFFAOYSA-N 0 3 176.263 2.198 10 0 AEAEHN CC[C@@H](N)c1ccc2occc2n1 74308047 572632830 /nfs/dbraw/zinc/63/28/30/572632830.db2.gz MLIGXSZQGLJTIU-SSDOTTSWSA-N 0 3 176.219 2.238 10 0 AEAEHN FC(F)(F)CCCNc1ncc[nH]1 236102635 572632847 /nfs/dbraw/zinc/63/28/47/572632847.db2.gz MXCKCAGMSIFKPV-UHFFFAOYSA-N 0 3 193.172 2.164 10 0 AEAEHN COc1cccc(C/C=C(\F)CN)c1 115773790 572633114 /nfs/dbraw/zinc/63/31/14/572633114.db2.gz QUYMMEIJIBDIJN-POHAHGRESA-N 0 3 195.237 2.050 10 0 AEAEHN COc1cccc(C/C=C(/F)CN)c1 115773776 572633224 /nfs/dbraw/zinc/63/32/24/572633224.db2.gz QUYMMEIJIBDIJN-UXBLZVDNSA-N 0 3 195.237 2.050 10 0 AEAEHN CCCNCc1cnc(Cl)s1 299888957 572635275 /nfs/dbraw/zinc/63/52/75/572635275.db2.gz BBTIDNNDJJIXSZ-UHFFFAOYSA-N 0 3 190.699 2.296 10 0 AEAEHN FC(F)(F)CCNC/C=C/Cl 236111565 572636510 /nfs/dbraw/zinc/63/65/10/572636510.db2.gz WHRMNACOWZNPBT-HNQUOIGGSA-N 0 3 187.592 2.281 10 0 AEAEHN C/C=C\CCNc1nccn1CC 308083327 572637342 /nfs/dbraw/zinc/63/73/42/572637342.db2.gz BMLUCNJVZUZTQB-HYXAFXHYSA-N 0 3 179.267 2.281 10 0 AEAEHN CCc1cnc([C@H](N)C(C)C)s1 54159012 572638224 /nfs/dbraw/zinc/63/82/24/572638224.db2.gz LKGVBGJQQPPXSN-MRVPVSSYSA-N 0 3 184.308 2.361 10 0 AEAEHN CCc1cnc([C@@H](N)C(C)C)s1 54159013 572638998 /nfs/dbraw/zinc/63/89/98/572638998.db2.gz LKGVBGJQQPPXSN-QMMMGPOBSA-N 0 3 184.308 2.361 10 0 AEAEHN Cc1sc(C)c(CN)c1C 197954408 572641710 /nfs/dbraw/zinc/64/17/10/572641710.db2.gz YCAYHAUKJRDQCD-UHFFFAOYSA-N 0 3 155.266 2.132 10 0 AEAEHN c1cc2c(cn1)N[C@H]1CCCC[C@H]1N2 207695757 572645065 /nfs/dbraw/zinc/64/50/65/572645065.db2.gz IUXGUGYFNXORPP-BDAKNGLRSA-N 0 3 189.262 2.230 10 0 AEAEHN c1cc2c(cn1)N[C@@H]1CCCC[C@H]1N2 207695840 572642702 /nfs/dbraw/zinc/64/27/02/572642702.db2.gz IUXGUGYFNXORPP-RKDXNWHRSA-N 0 3 189.262 2.230 10 0 AEAEHN c1cc2c(cn1)N[C@H]1CCCC[C@@H]1N2 207695797 572643094 /nfs/dbraw/zinc/64/30/94/572643094.db2.gz IUXGUGYFNXORPP-IUCAKERBSA-N 0 3 189.262 2.230 10 0 AEAEHN Cn1ccccc1=Nc1ccccc1 256011838 572644028 /nfs/dbraw/zinc/64/40/28/572644028.db2.gz XSMDNUGISXCWQR-UHFFFAOYSA-N 0 3 184.242 2.258 10 0 AEAEHN CCCCC[C@]1(C)CNC[C@@H](C)O1 87649889 572648150 /nfs/dbraw/zinc/64/81/50/572648150.db2.gz KKBBPVPVARYNJN-GHMZBOCLSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCCC[C@@]1(C)CNC[C@H](C)O1 87649888 572648316 /nfs/dbraw/zinc/64/83/16/572648316.db2.gz KKBBPVPVARYNJN-QWRGUYRKSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCCC[C@@]1(C)CNC[C@@H](C)O1 87649890 572648348 /nfs/dbraw/zinc/64/83/48/572648348.db2.gz KKBBPVPVARYNJN-MNOVXSKESA-N 0 3 185.311 2.334 10 0 AEAEHN CCCCC[C@]1(C)CNC[C@H](C)O1 87649887 572649197 /nfs/dbraw/zinc/64/91/97/572649197.db2.gz KKBBPVPVARYNJN-WDEREUQCSA-N 0 3 185.311 2.334 10 0 AEAEHN CCC(=O)C1(N)CCCCCC1 74330924 572651722 /nfs/dbraw/zinc/65/17/22/572651722.db2.gz MOJOSLIITBRCKT-UHFFFAOYSA-N 0 3 169.268 2.017 10 0 AEAEHN CCc1cc(CC)c(CN)s1 74330803 572652437 /nfs/dbraw/zinc/65/24/37/572652437.db2.gz PVGQGIIRJHPOSV-UHFFFAOYSA-N 0 3 169.293 2.332 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cc(C)on1 74333267 572654479 /nfs/dbraw/zinc/65/44/79/572654479.db2.gz GSXBKFOBDCIXKE-HZGVNTEJSA-N 0 3 168.240 2.029 10 0 AEAEHN C[C@@H]1NCCc2cc(Cl)oc21 117370727 572652931 /nfs/dbraw/zinc/65/29/31/572652931.db2.gz WCDWDUVCSTWNPW-YFKPBYRVSA-N 0 3 171.627 2.140 10 0 AEAEHN C[C@H]1NCCc2cc(Cl)oc21 117370730 572653509 /nfs/dbraw/zinc/65/35/09/572653509.db2.gz WCDWDUVCSTWNPW-RXMQYKEDSA-N 0 3 171.627 2.140 10 0 AEAEHN CC[C@H](C)[C@H](N)c1ncoc1C 74333245 572654417 /nfs/dbraw/zinc/65/44/17/572654417.db2.gz KIMRKKAGWNEQES-XPUUQOCRSA-N 0 3 168.240 2.029 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cc(C)on1 74333272 572654501 /nfs/dbraw/zinc/65/45/01/572654501.db2.gz GSXBKFOBDCIXKE-IMTBSYHQSA-N 0 3 168.240 2.029 10 0 AEAEHN Cc1cc([C@H](N)C(C)(C)C)no1 74333135 572654564 /nfs/dbraw/zinc/65/45/64/572654564.db2.gz ZEEYBTYTRQHMSR-QMMMGPOBSA-N 0 3 168.240 2.029 10 0 AEAEHN COC[C@@H](N)c1ccccc1C(C)C 238381074 572654603 /nfs/dbraw/zinc/65/46/03/572654603.db2.gz PZMDMBBARYUKFI-GFCCVEGCSA-N 0 3 193.290 2.456 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cc(C)on1 74333262 572654707 /nfs/dbraw/zinc/65/47/07/572654707.db2.gz GSXBKFOBDCIXKE-RCOVLWMOSA-N 0 3 168.240 2.029 10 0 AEAEHN CC(C)(C)C[C@H](N)c1ccon1 74333168 572654731 /nfs/dbraw/zinc/65/47/31/572654731.db2.gz QKFPUQKTNNTESX-ZETCQYMHSA-N 0 3 168.240 2.111 10 0 AEAEHN C[C@H](CC(F)F)NC/C=C\Cl 307859166 572657665 /nfs/dbraw/zinc/65/76/65/572657665.db2.gz FDXDSIVTQDRYOY-VROIDLATSA-N 0 3 183.629 2.372 10 0 AEAEHN CCC(CC)[C@@H](N)c1ccon1 74333203 572657667 /nfs/dbraw/zinc/65/76/67/572657667.db2.gz UTPSNFBBVWCUHW-SECBINFHSA-N 0 3 168.240 2.111 10 0 AEAEHN CC(C)CC[C@@H](N)c1cnoc1 74333147 572654967 /nfs/dbraw/zinc/65/49/67/572654967.db2.gz ONYGWLCAPHPNJE-SECBINFHSA-N 0 3 168.240 2.111 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cc(C)on1 74333257 572655174 /nfs/dbraw/zinc/65/51/74/572655174.db2.gz GSXBKFOBDCIXKE-MUWHJKNJSA-N 0 3 168.240 2.029 10 0 AEAEHN Cc1cc([C@H](N)CC(C)C)no1 74333704 572655986 /nfs/dbraw/zinc/65/59/86/572655986.db2.gz SIOOZEFYMUYDPQ-MRVPVSSYSA-N 0 3 168.240 2.029 10 0 AEAEHN CCC[C@@H](N)c1c(C)noc1C 74333688 572655363 /nfs/dbraw/zinc/65/53/63/572655363.db2.gz LJUULMIQIRWJGB-MRVPVSSYSA-N 0 3 168.240 2.091 10 0 AEAEHN C[C@H](N)c1cc(C2CC2)ns1 74332815 572655807 /nfs/dbraw/zinc/65/58/07/572655807.db2.gz VHLIRGMBJQQALL-YFKPBYRVSA-N 0 3 168.265 2.040 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1cnoc1 74333184 572655847 /nfs/dbraw/zinc/65/58/47/572655847.db2.gz XGXOJKSKBLPNLU-MRVPVSSYSA-N 0 3 168.240 2.111 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cnc(C)o1 74333211 572655931 /nfs/dbraw/zinc/65/59/31/572655931.db2.gz CROIAWJAJFBADN-RCOVLWMOSA-N 0 3 168.240 2.029 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ncoc1C 74333255 572655977 /nfs/dbraw/zinc/65/59/77/572655977.db2.gz KIMRKKAGWNEQES-POYBYMJQSA-N 0 3 168.240 2.029 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cnc(C)o1 74333217 572657712 /nfs/dbraw/zinc/65/77/12/572657712.db2.gz CROIAWJAJFBADN-HZGVNTEJSA-N 0 3 168.240 2.029 10 0 AEAEHN Cc1cc([C@@H](N)C(C)(C)C)no1 74333139 572656179 /nfs/dbraw/zinc/65/61/79/572656179.db2.gz ZEEYBTYTRQHMSR-MRVPVSSYSA-N 0 3 168.240 2.029 10 0 AEAEHN C[C@@H](CC(F)F)NC/C=C\Cl 307859162 572657573 /nfs/dbraw/zinc/65/75/73/572657573.db2.gz FDXDSIVTQDRYOY-GFNSNHMOSA-N 0 3 183.629 2.372 10 0 AEAEHN CCC(CC)[C@H](N)c1ccon1 74333197 572656377 /nfs/dbraw/zinc/65/63/77/572656377.db2.gz UTPSNFBBVWCUHW-VIFPVBQESA-N 0 3 168.240 2.111 10 0 AEAEHN CSCCCNCc1ccoc1 70184896 572656441 /nfs/dbraw/zinc/65/64/41/572656441.db2.gz XUXHVPOYVDPICZ-UHFFFAOYSA-N 0 3 185.292 2.122 10 0 AEAEHN CC(C)(C)C[C@H](N)c1cnoc1 74333179 572656527 /nfs/dbraw/zinc/65/65/27/572656527.db2.gz XGXOJKSKBLPNLU-QMMMGPOBSA-N 0 3 168.240 2.111 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cnc(C)o1 74333206 572656553 /nfs/dbraw/zinc/65/65/53/572656553.db2.gz CROIAWJAJFBADN-MUWHJKNJSA-N 0 3 168.240 2.029 10 0 AEAEHN CC(C)CC[C@H](N)c1cnoc1 74333143 572656707 /nfs/dbraw/zinc/65/67/07/572656707.db2.gz ONYGWLCAPHPNJE-VIFPVBQESA-N 0 3 168.240 2.111 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cnc(C)o1 74333221 572657129 /nfs/dbraw/zinc/65/71/29/572657129.db2.gz CROIAWJAJFBADN-IMTBSYHQSA-N 0 3 168.240 2.029 10 0 AEAEHN C[C@@H](N)c1cc(C2CC2)ns1 74332820 572657180 /nfs/dbraw/zinc/65/71/80/572657180.db2.gz VHLIRGMBJQQALL-RXMQYKEDSA-N 0 3 168.265 2.040 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1ccon1 74333174 572657377 /nfs/dbraw/zinc/65/73/77/572657377.db2.gz QKFPUQKTNNTESX-SSDOTTSWSA-N 0 3 168.240 2.111 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ncoc1C 74333250 572657965 /nfs/dbraw/zinc/65/79/65/572657965.db2.gz KIMRKKAGWNEQES-HTRCEHHLSA-N 0 3 168.240 2.029 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ncoc1C 74333242 572658347 /nfs/dbraw/zinc/65/83/47/572658347.db2.gz KIMRKKAGWNEQES-SVRRBLITSA-N 0 3 168.240 2.029 10 0 AEAEHN C[C@@H](CC(F)F)NC/C=C/Cl 307859164 572658407 /nfs/dbraw/zinc/65/84/07/572658407.db2.gz FDXDSIVTQDRYOY-SZKDQXIBSA-N 0 3 183.629 2.372 10 0 AEAEHN C[C@H](CC(F)F)NC/C=C/Cl 307859167 572658681 /nfs/dbraw/zinc/65/86/81/572658681.db2.gz FDXDSIVTQDRYOY-YRFDSLTASA-N 0 3 183.629 2.372 10 0 AEAEHN Cc1cc([C@@H](N)CC(C)C)no1 74333710 572658747 /nfs/dbraw/zinc/65/87/47/572658747.db2.gz SIOOZEFYMUYDPQ-QMMMGPOBSA-N 0 3 168.240 2.029 10 0 AEAEHN CCC[C@H](N)c1c(C)noc1C 74333684 572658767 /nfs/dbraw/zinc/65/87/67/572658767.db2.gz LJUULMIQIRWJGB-QMMMGPOBSA-N 0 3 168.240 2.091 10 0 AEAEHN CCO[C@H](CN)c1cc(C)sc1C 85091223 572659072 /nfs/dbraw/zinc/65/90/72/572659072.db2.gz QOXGBGOZQSRJBO-SNVBAGLBSA-N 0 3 199.319 2.401 10 0 AEAEHN CCO[C@@H](CN)c1cc(C)sc1C 85091222 572659493 /nfs/dbraw/zinc/65/94/93/572659493.db2.gz QOXGBGOZQSRJBO-JTQLQIEISA-N 0 3 199.319 2.401 10 0 AEAEHN CC(C)CCc1cc(CN)co1 74335569 572659845 /nfs/dbraw/zinc/65/98/45/572659845.db2.gz OGGUDBWJBAOLDQ-UHFFFAOYSA-N 0 3 167.252 2.327 10 0 AEAEHN NCc1ccc(CC2CC2)s1 74334985 572661065 /nfs/dbraw/zinc/66/10/65/572661065.db2.gz OGNVRNYMNNELGP-UHFFFAOYSA-N 0 3 167.277 2.159 10 0 AEAEHN CCO[C@@H](CN)c1ccc(CC)s1 85091298 572661428 /nfs/dbraw/zinc/66/14/28/572661428.db2.gz ZTUKQPWSVYCHDL-VIFPVBQESA-N 0 3 199.319 2.347 10 0 AEAEHN COC1(N[C@H](C)c2ccccc2)CC1 238383703 572662630 /nfs/dbraw/zinc/66/26/30/572662630.db2.gz CZYZMLQUSZKAFL-SNVBAGLBSA-N 0 3 191.274 2.474 10 0 AEAEHN CNc1cccc(NCC2(C)CC2)n1 234520744 572663895 /nfs/dbraw/zinc/66/38/95/572663895.db2.gz CKCQNIZRJFWFNT-UHFFFAOYSA-N 0 3 191.278 2.335 10 0 AEAEHN CSCCNC/C=C\c1ccco1 308088360 572665449 /nfs/dbraw/zinc/66/54/49/572665449.db2.gz MWRDIHDEEVYEKH-RQOWECAXSA-N 0 3 197.303 2.245 10 0 AEAEHN C[C@@H](C[C@H](O)N(C)C)CC(C)(C)C 238398624 572667282 /nfs/dbraw/zinc/66/72/82/572667282.db2.gz LSDRDAPXMMYDGI-UWVGGRQHSA-N 0 3 187.327 2.329 10 0 AEAEHN CC(=O)C[C@H]1C[C@H](C)N(C)[C@H](C)C1 252211919 572668247 /nfs/dbraw/zinc/66/82/47/572668247.db2.gz YHWFUOKMAAGHCG-DOFRTFSJSA-N 0 3 183.295 2.084 10 0 AEAEHN Cc1ccc(C2(N)CC=CC2)o1 74340947 572670606 /nfs/dbraw/zinc/67/06/06/572670606.db2.gz MOTVDHNAMRNYRE-UHFFFAOYSA-N 0 3 163.220 2.092 10 0 AEAEHN Cc1cccc(N2CC[C@H]2C)c1CN 235294206 572671366 /nfs/dbraw/zinc/67/13/66/572671366.db2.gz BAYLBJLWUIATLD-SNVBAGLBSA-N 0 3 190.290 2.052 10 0 AEAEHN CCCNCc1cc(C)co1 74343071 572672153 /nfs/dbraw/zinc/67/21/53/572672153.db2.gz MUSPOOXOMVRZPM-UHFFFAOYSA-N 0 3 153.225 2.088 10 0 AEAEHN Cc1ccc(C[C@H](C)NCCF)cc1 238404611 572673931 /nfs/dbraw/zinc/67/39/31/572673931.db2.gz OFJUJVJJLLGHQS-NSHDSACASA-N 0 3 195.281 2.485 10 0 AEAEHN C[C@H]1CC[C@@H](C)[C@](N)(C(F)F)C1 87688086 572677036 /nfs/dbraw/zinc/67/70/36/572677036.db2.gz AGKYPVQPEHLMGS-OOZYFLPDSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1CC[C@H](C)[C@](N)(C(F)F)C1 87688084 572677060 /nfs/dbraw/zinc/67/70/60/572677060.db2.gz AGKYPVQPEHLMGS-ZKWXMUAHSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1C[C@@H](C)CC(N)(C(F)F)C1 87687972 572677869 /nfs/dbraw/zinc/67/78/69/572677869.db2.gz PWTZXAMVHOYFKJ-AVSFMBPQSA-N 0 3 177.238 2.405 10 0 AEAEHN Fc1cc(F)cc(Nc2ncc[nH]2)c1 236148620 572677887 /nfs/dbraw/zinc/67/78/87/572677887.db2.gz FJRIHDRBHUQYLW-UHFFFAOYSA-N 0 3 195.172 2.432 10 0 AEAEHN C[C@@H](F)CCSCCN(C)C 307865713 572678018 /nfs/dbraw/zinc/67/80/18/572678018.db2.gz JDVVXUCSMXXXEB-MRVPVSSYSA-N 0 3 179.304 2.029 10 0 AEAEHN C[C@H]1CCC[C@@](N)(C(F)F)[C@@H]1C 87688275 572678600 /nfs/dbraw/zinc/67/86/00/572678600.db2.gz CSWRSZQDBQWYGO-OOZYFLPDSA-N 0 3 177.238 2.405 10 0 AEAEHN C/C=C\CN1C[C@H](C)S[C@@H](C)C1 393370199 572680979 /nfs/dbraw/zinc/68/09/79/572680979.db2.gz LSVDGLPZBPLBLU-NDVXOHMPSA-N 0 3 185.336 2.388 10 0 AEAEHN C/C=C\CN1C[C@H](C)S[C@H](C)C1 393370210 572681830 /nfs/dbraw/zinc/68/18/30/572681830.db2.gz LSVDGLPZBPLBLU-QOYVELHUSA-N 0 3 185.336 2.388 10 0 AEAEHN C[C@H]1CC[C@](N)(C(F)F)C[C@@H]1C 87688307 572682108 /nfs/dbraw/zinc/68/21/08/572682108.db2.gz OGFRATFKEVOKFT-ACLDMZEESA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1CC[C@@](N)(C(F)F)C[C@@H]1C 87688309 572682354 /nfs/dbraw/zinc/68/23/54/572682354.db2.gz OGFRATFKEVOKFT-ZKWXMUAHSA-N 0 3 177.238 2.405 10 0 AEAEHN Cc1cnc([C@H](N)C(C)C)s1 48678675 572684025 /nfs/dbraw/zinc/68/40/25/572684025.db2.gz DPZQQMJARWNALW-SSDOTTSWSA-N 0 3 170.281 2.107 10 0 AEAEHN Cc1cnc([C@@H](N)C(C)C)s1 48678677 572684786 /nfs/dbraw/zinc/68/47/86/572684786.db2.gz DPZQQMJARWNALW-ZETCQYMHSA-N 0 3 170.281 2.107 10 0 AEAEHN Fc1ccc(Nc2ncc[nH]2)c(F)c1 236159721 572686965 /nfs/dbraw/zinc/68/69/65/572686965.db2.gz AKORXKPIJKZPHX-UHFFFAOYSA-N 0 3 195.172 2.432 10 0 AEAEHN CN1CC[C@H]2CCc3ccncc3[C@H]21 13600374 572687035 /nfs/dbraw/zinc/68/70/35/572687035.db2.gz ZZGFWRKTYORFQP-PWSUYJOCSA-N 0 3 188.274 2.021 10 0 AEAEHN Fc1ccc(Nc2ncc[nH]2)cc1F 236160140 572687366 /nfs/dbraw/zinc/68/73/66/572687366.db2.gz FFYNNQIRBXRULR-UHFFFAOYSA-N 0 3 195.172 2.432 10 0 AEAEHN Cc1[nH]nc(C2CCCCC2)c1CN 66135308 572691030 /nfs/dbraw/zinc/69/10/30/572691030.db2.gz OBKMTMVPJGZLCK-UHFFFAOYSA-N 0 3 193.294 2.225 10 0 AEAEHN CCCSc1ncc(CN)cc1C 87719920 572691122 /nfs/dbraw/zinc/69/11/22/572691122.db2.gz CSBLGVJUUAQDAN-UHFFFAOYSA-N 0 3 196.319 2.351 10 0 AEAEHN CCNCc1ccc(SCC)nc1 87719865 572690543 /nfs/dbraw/zinc/69/05/43/572690543.db2.gz QMIDBIJFROATLA-UHFFFAOYSA-N 0 3 196.319 2.303 10 0 AEAEHN CNCc1ccc(SC(C)C)nc1 87720093 572690882 /nfs/dbraw/zinc/69/08/82/572690882.db2.gz VAFPCSGSAWGXNJ-UHFFFAOYSA-N 0 3 196.319 2.302 10 0 AEAEHN CSc1ccc(CNC2CC2)cn1 87720130 572690949 /nfs/dbraw/zinc/69/09/49/572690949.db2.gz OLKXZEPWBWDEQV-UHFFFAOYSA-N 0 3 194.303 2.056 10 0 AEAEHN CNCc1cc(C)oc1C(C)C 77072378 572691370 /nfs/dbraw/zinc/69/13/70/572691370.db2.gz VBYFFAJMISJACJ-UHFFFAOYSA-N 0 3 167.252 2.431 10 0 AEAEHN Cc1oc(-c2ccncc2)cc1CN 77075416 572691717 /nfs/dbraw/zinc/69/17/17/572691717.db2.gz VTPUUWZVYZPFIA-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CC[C@H](C)N(CC)c1cccc(N)n1 87726939 572691765 /nfs/dbraw/zinc/69/17/65/572691765.db2.gz WLKDJIXZINRICK-VIFPVBQESA-N 0 3 193.294 2.289 10 0 AEAEHN CCCCCN(C)c1cccc(N)n1 87726973 572691943 /nfs/dbraw/zinc/69/19/43/572691943.db2.gz DJZWZKUVEPYISE-UHFFFAOYSA-N 0 3 193.294 2.290 10 0 AEAEHN CCC[C@H](C)N(C)c1cccc(N)n1 87727044 572691957 /nfs/dbraw/zinc/69/19/57/572691957.db2.gz YNYYWNKGOQGXAU-VIFPVBQESA-N 0 3 193.294 2.289 10 0 AEAEHN Cc1oc(-c2cccnc2)cc1CN 77075341 572691965 /nfs/dbraw/zinc/69/19/65/572691965.db2.gz OFKWPEMWTPJTOA-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN Cc1cc(CN)c(C(C)(C)C)o1 77072504 572692080 /nfs/dbraw/zinc/69/20/80/572692080.db2.gz CKSGPWAREYPNFF-UHFFFAOYSA-N 0 3 167.252 2.344 10 0 AEAEHN CCCN(c1cccc(N)n1)C1CC1 87726955 572692348 /nfs/dbraw/zinc/69/23/48/572692348.db2.gz DGHKTAJRCZNADJ-UHFFFAOYSA-N 0 3 191.278 2.043 10 0 AEAEHN Cc1oc(-c2ccccn2)cc1CN 77075266 572692353 /nfs/dbraw/zinc/69/23/53/572692353.db2.gz DRHXJWWIMXIYHO-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CCNCc1cc(C)oc1CC 77075660 572692521 /nfs/dbraw/zinc/69/25/21/572692521.db2.gz CZJBWWIXUVHBCG-UHFFFAOYSA-N 0 3 167.252 2.260 10 0 AEAEHN Cc1cc(CN)c(C(C)C)o1 77072396 572692604 /nfs/dbraw/zinc/69/26/04/572692604.db2.gz MQCSVEAIXJRVSU-UHFFFAOYSA-N 0 3 153.225 2.170 10 0 AEAEHN CNCc1cc(C)oc1C(F)(F)F 77072586 572692914 /nfs/dbraw/zinc/69/29/14/572692914.db2.gz QPOXMADWFDLFEZ-UHFFFAOYSA-N 0 3 193.168 2.326 10 0 AEAEHN CCN(CC(C)C)c1cccc(N)n1 87726930 572692939 /nfs/dbraw/zinc/69/29/39/572692939.db2.gz RMDSWRSEKYHJCF-UHFFFAOYSA-N 0 3 193.294 2.146 10 0 AEAEHN CCc1oc(C)cc1CNC1CC1 77075663 572693153 /nfs/dbraw/zinc/69/31/53/572693153.db2.gz NCSZLHUQRHKSLF-UHFFFAOYSA-N 0 3 179.263 2.402 10 0 AEAEHN CSc1ccc2c(c1C)[C@H](N)CO2 713733266 572693575 /nfs/dbraw/zinc/69/35/75/572693575.db2.gz VPNHPRWZOMLQIB-SSDOTTSWSA-N 0 3 195.287 2.109 10 0 AEAEHN CC[C@H](C)CN(C)c1cccc(N)n1 87726965 572693646 /nfs/dbraw/zinc/69/36/46/572693646.db2.gz SNWSEJSLVYBDMS-VIFPVBQESA-N 0 3 193.294 2.146 10 0 AEAEHN CC[C@@H](C)CNC1=N[C@H](C)CS1 54489021 572693843 /nfs/dbraw/zinc/69/38/43/572693843.db2.gz IONNGHFMQFUBQW-HTQZYQBOSA-N 0 3 186.324 2.113 10 0 AEAEHN CC[C@H](C)CN1CCC(=O)C[C@@H]1C 54472805 572694881 /nfs/dbraw/zinc/69/48/81/572694881.db2.gz DOODVFRTMQGVOQ-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@@H](C)CNC1=N[C@@H](C)CS1 54489025 572695181 /nfs/dbraw/zinc/69/51/81/572695181.db2.gz IONNGHFMQFUBQW-SFYZADRCSA-N 0 3 186.324 2.113 10 0 AEAEHN CCCN(c1cccc(N)n1)C(C)C 87726953 572694987 /nfs/dbraw/zinc/69/49/87/572694987.db2.gz BZMJSLGRDRLRII-UHFFFAOYSA-N 0 3 193.294 2.289 10 0 AEAEHN CC[C@@H](C)CN1CCC(=O)C[C@@H]1C 54472802 572695233 /nfs/dbraw/zinc/69/52/33/572695233.db2.gz DOODVFRTMQGVOQ-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)CCN(C)c1cccc(N)n1 87727332 572695289 /nfs/dbraw/zinc/69/52/89/572695289.db2.gz DFZRXQYJQJQZTM-UHFFFAOYSA-N 0 3 193.294 2.146 10 0 AEAEHN CC[C@@H](C)CN(C)c1cccc(N)n1 87726962 572695612 /nfs/dbraw/zinc/69/56/12/572695612.db2.gz SNWSEJSLVYBDMS-SECBINFHSA-N 0 3 193.294 2.146 10 0 AEAEHN CSc1ccc2c(c1C)[C@@H](N)CO2 713733267 572695750 /nfs/dbraw/zinc/69/57/50/572695750.db2.gz VPNHPRWZOMLQIB-ZETCQYMHSA-N 0 3 195.287 2.109 10 0 AEAEHN CCCCN(CC)c1cccc(N)n1 87726794 572695768 /nfs/dbraw/zinc/69/57/68/572695768.db2.gz WNVPUWUREANDNW-UHFFFAOYSA-N 0 3 193.294 2.290 10 0 AEAEHN CCCCCNc1cccc(N)n1 87725773 572695848 /nfs/dbraw/zinc/69/58/48/572695848.db2.gz AGKJFGPYQFHFPW-UHFFFAOYSA-N 0 3 179.267 2.266 10 0 AEAEHN CC[C@@H](C)N(CC)c1cccc(N)n1 87726938 572696367 /nfs/dbraw/zinc/69/63/67/572696367.db2.gz WLKDJIXZINRICK-SECBINFHSA-N 0 3 193.294 2.289 10 0 AEAEHN CCC(CC)N(C)c1cccc(N)n1 87727025 572696607 /nfs/dbraw/zinc/69/66/07/572696607.db2.gz XKSZUQDBKPBFTJ-UHFFFAOYSA-N 0 3 193.294 2.289 10 0 AEAEHN CC(C)[C@H]1CCC(=O)[C@H](CN(C)C)C1 54558940 572697703 /nfs/dbraw/zinc/69/77/03/572697703.db2.gz XTTUSAONOROJPX-QWRGUYRKSA-N 0 3 197.322 2.189 10 0 AEAEHN CC(C)[C@H]1CCC(=O)[C@@H](CN(C)C)C1 54558942 572698375 /nfs/dbraw/zinc/69/83/75/572698375.db2.gz XTTUSAONOROJPX-WDEREUQCSA-N 0 3 197.322 2.189 10 0 AEAEHN CC(C)[C@@H]1CCC(=O)[C@@H](CN(C)C)C1 54558941 572699336 /nfs/dbraw/zinc/69/93/36/572699336.db2.gz XTTUSAONOROJPX-GHMZBOCLSA-N 0 3 197.322 2.189 10 0 AEAEHN CC(C)[C@@H]1CCC(=O)[C@H](CN(C)C)C1 54558939 572699427 /nfs/dbraw/zinc/69/94/27/572699427.db2.gz XTTUSAONOROJPX-MNOVXSKESA-N 0 3 197.322 2.189 10 0 AEAEHN Cc1ccc([C@H](C)N(C)CCO)s1 308095438 572700120 /nfs/dbraw/zinc/70/01/20/572700120.db2.gz MBKAPOJECGQNTC-VIFPVBQESA-N 0 3 199.319 2.042 10 0 AEAEHN C[C@@H](N)c1cc(F)c2ccccc2n1 713734598 572701533 /nfs/dbraw/zinc/70/15/33/572701533.db2.gz MKFGWBGOYKKBGJ-SSDOTTSWSA-N 0 3 190.221 2.394 10 0 AEAEHN C[C@H](N)c1cc(F)c2ccccc2n1 713734600 572702055 /nfs/dbraw/zinc/70/20/55/572702055.db2.gz MKFGWBGOYKKBGJ-ZETCQYMHSA-N 0 3 190.221 2.394 10 0 AEAEHN O=C1C[C@@H]2CCC[C@H](C1)N2C1CCC1 54601087 572702299 /nfs/dbraw/zinc/70/22/99/572702299.db2.gz PQQWCFPQAOPAGP-PHIMTYICSA-N 0 3 193.290 2.125 10 0 AEAEHN C[C@H](N)c1cc2ncc(Cl)cc2[nH]1 214836492 572702431 /nfs/dbraw/zinc/70/24/31/572702431.db2.gz SDWBXGURTFRLNS-YFKPBYRVSA-N 0 3 195.653 2.236 10 0 AEAEHN CC[C@@H](C)[C@H](C)n1cncc1CNC 85197562 572703471 /nfs/dbraw/zinc/70/34/71/572703471.db2.gz OOSNJVNTKLZRCE-ZJUUUORDSA-N 0 3 195.310 2.210 10 0 AEAEHN CNCc1cncn1[C@H](C)CC(C)C 85196917 572702741 /nfs/dbraw/zinc/70/27/41/572702741.db2.gz HPTSRGBPEMRFLQ-SNVBAGLBSA-N 0 3 195.310 2.210 10 0 AEAEHN CC[C@@H](C)n1cncc1CNC(C)C 85196363 572702781 /nfs/dbraw/zinc/70/27/81/572702781.db2.gz IQJFWPUZSNQXAR-SNVBAGLBSA-N 0 3 195.310 2.352 10 0 AEAEHN CCCCC[C@H](C)n1cncc1CN 85197603 572702837 /nfs/dbraw/zinc/70/28/37/572702837.db2.gz VAGXVQPZTAAPSY-JTQLQIEISA-N 0 3 195.310 2.483 10 0 AEAEHN CCCCC[C@@H](C)n1cncc1CN 85197600 572702947 /nfs/dbraw/zinc/70/29/47/572702947.db2.gz VAGXVQPZTAAPSY-SNVBAGLBSA-N 0 3 195.310 2.483 10 0 AEAEHN CNCc1cncn1[C@@H](C)CC(C)C 85196920 572703129 /nfs/dbraw/zinc/70/31/29/572703129.db2.gz HPTSRGBPEMRFLQ-JTQLQIEISA-N 0 3 195.310 2.210 10 0 AEAEHN CCCCn1cncc1CNC(C)C 85196077 572703355 /nfs/dbraw/zinc/70/33/55/572703355.db2.gz PASGBSBEQXFUGQ-UHFFFAOYSA-N 0 3 195.310 2.181 10 0 AEAEHN CCNCc1cncn1CC(C)(C)C 85197401 572703183 /nfs/dbraw/zinc/70/31/83/572703183.db2.gz YJTSQBWANAWIDC-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CCCCCn1cncc1CNCC 85196140 572703221 /nfs/dbraw/zinc/70/32/21/572703221.db2.gz XLSNZCORFSKXDU-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN CC[C@H](C(C)C)n1cncc1CNC 85197698 572703229 /nfs/dbraw/zinc/70/32/29/572703229.db2.gz MJYGJBYMNWJPNT-LLVKDONJSA-N 0 3 195.310 2.210 10 0 AEAEHN CCCNCc1cncn1[C@H](C)CC 85196328 572703302 /nfs/dbraw/zinc/70/33/02/572703302.db2.gz DNNITLYUQAUXHI-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CCNCc1cncn1C1CCCC1 85196443 572703617 /nfs/dbraw/zinc/70/36/17/572703617.db2.gz FTPABEXWLSQOSJ-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN CCNCc1cncn1CCC(C)C 85196099 572704753 /nfs/dbraw/zinc/70/47/53/572704753.db2.gz WKGYLHUPEORHOJ-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CCC[C@H](C)n1cncc1CNCC 85196244 572703944 /nfs/dbraw/zinc/70/39/44/572703944.db2.gz NRZGVUJONGFUPX-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CC[C@@H](C(C)C)n1cncc1CNC 85197696 572703966 /nfs/dbraw/zinc/70/39/66/572703966.db2.gz MJYGJBYMNWJPNT-NSHDSACASA-N 0 3 195.310 2.210 10 0 AEAEHN CC[C@H](C)n1cncc1CNC1CC1 85196345 572704031 /nfs/dbraw/zinc/70/40/31/572704031.db2.gz ALWICULMNYHSNN-VIFPVBQESA-N 0 3 193.294 2.106 10 0 AEAEHN CC(C)Cn1cncc1CNC(C)C 85196424 572704429 /nfs/dbraw/zinc/70/44/29/572704429.db2.gz DOXONCJFQBCVKY-UHFFFAOYSA-N 0 3 195.310 2.037 10 0 AEAEHN CC[C@@H](C)n1cncc1CNC1CC1 85196342 572704614 /nfs/dbraw/zinc/70/46/14/572704614.db2.gz ALWICULMNYHSNN-SECBINFHSA-N 0 3 193.294 2.106 10 0 AEAEHN CCCNCc1cncn1CC(C)C 85196410 572704637 /nfs/dbraw/zinc/70/46/37/572704637.db2.gz TXWIEYSAVALLPY-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CCCNCc1cncn1[C@@H](C)CC 85196321 572704692 /nfs/dbraw/zinc/70/46/92/572704692.db2.gz DNNITLYUQAUXHI-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCC[C@@H](C)n1cncc1CNCC 85196241 572704928 /nfs/dbraw/zinc/70/49/28/572704928.db2.gz NRZGVUJONGFUPX-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CC[C@H](C)[C@H](C)n1cncc1CNC 85197564 572704968 /nfs/dbraw/zinc/70/49/68/572704968.db2.gz OOSNJVNTKLZRCE-UWVGGRQHSA-N 0 3 195.310 2.210 10 0 AEAEHN CCCCn1cncc1CNCCC 85196060 572705122 /nfs/dbraw/zinc/70/51/22/572705122.db2.gz BHJVSISUTRJHDD-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN C[C@H]1C(=O)CCN(CC2(C)CC2)[C@@H]1C 235312439 572705147 /nfs/dbraw/zinc/70/51/47/572705147.db2.gz ICGXVKFCEFQUSX-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN CCNCc1cncn1[C@@H](C)C(C)C 85196655 572705227 /nfs/dbraw/zinc/70/52/27/572705227.db2.gz GQWSAZCWZRTSOZ-JTQLQIEISA-N 0 3 195.310 2.210 10 0 AEAEHN CC[C@H](C)n1cncc1CNC(C)C 85196367 572705260 /nfs/dbraw/zinc/70/52/60/572705260.db2.gz IQJFWPUZSNQXAR-JTQLQIEISA-N 0 3 195.310 2.352 10 0 AEAEHN CC[C@@H](C)[C@@H](C)n1cncc1CNC 85197558 572705370 /nfs/dbraw/zinc/70/53/70/572705370.db2.gz OOSNJVNTKLZRCE-NXEZZACHSA-N 0 3 195.310 2.210 10 0 AEAEHN CNCc1cc(C)ccc1OCCF 87774386 572705523 /nfs/dbraw/zinc/70/55/23/572705523.db2.gz NBCJCFPHDXMNQF-UHFFFAOYSA-N 0 3 197.253 2.063 10 0 AEAEHN CN[C@H](C)c1ccccc1OCCF 87774281 572705548 /nfs/dbraw/zinc/70/55/48/572705548.db2.gz GJPPBAZUPSKTBA-SECBINFHSA-N 0 3 197.253 2.315 10 0 AEAEHN CC[C@H](C)[C@@H](C)n1cncc1CNC 85197560 572705557 /nfs/dbraw/zinc/70/55/57/572705557.db2.gz OOSNJVNTKLZRCE-VHSXEESVSA-N 0 3 195.310 2.210 10 0 AEAEHN CCNCc1cncn1[C@H](C)C(C)C 85196657 572705695 /nfs/dbraw/zinc/70/56/95/572705695.db2.gz GQWSAZCWZRTSOZ-SNVBAGLBSA-N 0 3 195.310 2.210 10 0 AEAEHN CC(C)NCc1cncn1C1CCC1 85198650 572706033 /nfs/dbraw/zinc/70/60/33/572706033.db2.gz UDQHHINNHYTSPA-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN CCNCc1cncn1C[C@@H](C)CC 85198862 572706068 /nfs/dbraw/zinc/70/60/68/572706068.db2.gz LDUXGCSAEMTLTL-JTQLQIEISA-N 0 3 195.310 2.039 10 0 AEAEHN CCCC[C@@H](C)n1cncc1CN 85198580 572706096 /nfs/dbraw/zinc/70/60/96/572706096.db2.gz OMHAJJVRYQQOMD-SECBINFHSA-N 0 3 181.283 2.093 10 0 AEAEHN CC[C@@H](C)C[C@@H](C)n1cncc1CN 85199858 572706829 /nfs/dbraw/zinc/70/68/29/572706829.db2.gz ASMULWFQGFXDAX-NXEZZACHSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](C)C[C@@H](C)n1cncc1CN 85199861 572706878 /nfs/dbraw/zinc/70/68/78/572706878.db2.gz ASMULWFQGFXDAX-VHSXEESVSA-N 0 3 195.310 2.339 10 0 AEAEHN CCCC[C@H](C)n1cncc1CNC 85198605 572706961 /nfs/dbraw/zinc/70/69/61/572706961.db2.gz LASZAWPUQBAPCG-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CCCNCc1cncn1C(C)(C)C 85199979 572706969 /nfs/dbraw/zinc/70/69/69/572706969.db2.gz XBKWHPLKYJFJPP-UHFFFAOYSA-N 0 3 195.310 2.138 10 0 AEAEHN C[C@H](N)c1ccccc1OCCF 87774212 572707082 /nfs/dbraw/zinc/70/70/82/572707082.db2.gz UBPVQTNKINDJCV-QMMMGPOBSA-N 0 3 183.226 2.055 10 0 AEAEHN CCC[C@@H](CC)n1cncc1CN 85198519 572707324 /nfs/dbraw/zinc/70/73/24/572707324.db2.gz QTMVOKZNVUZHFO-SECBINFHSA-N 0 3 181.283 2.093 10 0 AEAEHN CCNCc1cncn1C[C@H](C)CC 85198861 572707446 /nfs/dbraw/zinc/70/74/46/572707446.db2.gz LDUXGCSAEMTLTL-SNVBAGLBSA-N 0 3 195.310 2.039 10 0 AEAEHN CCCCCCn1cncc1CNC 85199446 572707471 /nfs/dbraw/zinc/70/74/71/572707471.db2.gz WCFOOYDYPMCUMA-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN CCC(CC)[C@@H](C)n1cncc1CN 85199298 572707484 /nfs/dbraw/zinc/70/74/84/572707484.db2.gz LHJQWNBTVAKDAJ-SECBINFHSA-N 0 3 195.310 2.339 10 0 AEAEHN CCCC[C@H](C)n1cncc1CN 85198584 572707497 /nfs/dbraw/zinc/70/74/97/572707497.db2.gz OMHAJJVRYQQOMD-VIFPVBQESA-N 0 3 181.283 2.093 10 0 AEAEHN CC[C@H](CC1CC1)n1cncc1CN 85199377 572707535 /nfs/dbraw/zinc/70/75/35/572707535.db2.gz ORPGEFRDGWLEQW-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN Cc1ccc(N)c(CN(C)C2CC2)c1 70601678 572707544 /nfs/dbraw/zinc/70/75/44/572707544.db2.gz NHULHLVQMYCJTR-UHFFFAOYSA-N 0 3 190.290 2.171 10 0 AEAEHN C[C@@H](N)c1ccccc1OCCF 87774213 572707642 /nfs/dbraw/zinc/70/76/42/572707642.db2.gz UBPVQTNKINDJCV-MRVPVSSYSA-N 0 3 183.226 2.055 10 0 AEAEHN CCC[C@H](CC)n1cncc1CN 85198520 572707744 /nfs/dbraw/zinc/70/77/44/572707744.db2.gz QTMVOKZNVUZHFO-VIFPVBQESA-N 0 3 181.283 2.093 10 0 AEAEHN CC[C@@H](C)C[C@H](C)n1cncc1CN 85199863 572707760 /nfs/dbraw/zinc/70/77/60/572707760.db2.gz ASMULWFQGFXDAX-ZJUUUORDSA-N 0 3 195.310 2.339 10 0 AEAEHN CCCNCc1cncn1C1CCC1 85198628 572707856 /nfs/dbraw/zinc/70/78/56/572707856.db2.gz GEOPLIRTSAJTNU-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN CC(C)CC[C@H](C)n1cncc1CN 85199331 572707952 /nfs/dbraw/zinc/70/79/52/572707952.db2.gz NBRNIIVVMDNGBC-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CC(C)CC[C@@H](C)n1cncc1CN 85199327 572708206 /nfs/dbraw/zinc/70/82/06/572708206.db2.gz NBRNIIVVMDNGBC-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@H](CC)n1cncc1CNC 85198544 572708245 /nfs/dbraw/zinc/70/82/45/572708245.db2.gz IBVORCUESKHBRG-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CNCc1cncn1CCCC(C)C 85198984 572708290 /nfs/dbraw/zinc/70/82/90/572708290.db2.gz JTIBXWUPOFLHID-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CC[C@H](C)C[C@H](C)n1cncc1CN 85199867 572708347 /nfs/dbraw/zinc/70/83/47/572708347.db2.gz ASMULWFQGFXDAX-UWVGGRQHSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@@H](CC)n1cncc1CNC 85198541 572708520 /nfs/dbraw/zinc/70/85/20/572708520.db2.gz IBVORCUESKHBRG-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN FCCNCCSc1ccccc1 87774818 572708739 /nfs/dbraw/zinc/70/87/39/572708739.db2.gz KXQLLWREDLXBAU-UHFFFAOYSA-N 0 3 199.294 2.338 10 0 AEAEHN Cc1cccc(CCNCCF)c1 87775069 572711487 /nfs/dbraw/zinc/71/14/87/572711487.db2.gz KMTMBBNAHQAYGY-UHFFFAOYSA-N 0 3 181.254 2.097 10 0 AEAEHN C[C@H](Cc1ccccc1)NCCF 87775139 572711509 /nfs/dbraw/zinc/71/15/09/572711509.db2.gz YGGYWURCYNXMIN-SNVBAGLBSA-N 0 3 181.254 2.177 10 0 AEAEHN Cc1cc(F)ccc1CCNCCF 87775398 572709760 /nfs/dbraw/zinc/70/97/60/572709760.db2.gz JPYUIXXLQMHQMU-UHFFFAOYSA-N 0 3 199.244 2.236 10 0 AEAEHN FCCN[C@H]1C[C@H]1c1ccccc1 87775001 572710607 /nfs/dbraw/zinc/71/06/07/572710607.db2.gz UIACJJAYDGJWRY-QWRGUYRKSA-N 0 3 179.238 2.102 10 0 AEAEHN C[C@@H](Cc1ccccc1)NCCF 87775138 572710876 /nfs/dbraw/zinc/71/08/76/572710876.db2.gz YGGYWURCYNXMIN-JTQLQIEISA-N 0 3 181.254 2.177 10 0 AEAEHN FCCN[C@@H]1C[C@@H]1c1ccccc1 87775004 572711025 /nfs/dbraw/zinc/71/10/25/572711025.db2.gz UIACJJAYDGJWRY-GHMZBOCLSA-N 0 3 179.238 2.102 10 0 AEAEHN FCCN[C@H]1C[C@@H]1c1ccccc1 87775002 572711195 /nfs/dbraw/zinc/71/11/95/572711195.db2.gz UIACJJAYDGJWRY-MNOVXSKESA-N 0 3 179.238 2.102 10 0 AEAEHN Cc1ccccc1CCNCCF 87775374 572711646 /nfs/dbraw/zinc/71/16/46/572711646.db2.gz LHTGFYQGLNZDJU-UHFFFAOYSA-N 0 3 181.254 2.097 10 0 AEAEHN Cc1cc(CNCCF)sc1C 87775295 572711721 /nfs/dbraw/zinc/71/17/21/572711721.db2.gz TVNQLPJRFSIFRT-UHFFFAOYSA-N 0 3 187.283 2.424 10 0 AEAEHN FCCNCCC1=CCCCC1 87775071 572711781 /nfs/dbraw/zinc/71/17/81/572711781.db2.gz ZPDSBYFAZQOQOV-UHFFFAOYSA-N 0 3 171.259 2.436 10 0 AEAEHN CNCc1cc(C)oc1C1CC1 77082422 572711922 /nfs/dbraw/zinc/71/19/22/572711922.db2.gz BFHVILKYLODQNP-UHFFFAOYSA-N 0 3 165.236 2.185 10 0 AEAEHN Cc1cc([C@@H](C)N)c(C2CC2)o1 77082520 572712305 /nfs/dbraw/zinc/71/23/05/572712305.db2.gz RRVOSDJACLXHOX-SSDOTTSWSA-N 0 3 165.236 2.485 10 0 AEAEHN CCc1ccsc1CNCCF 87775391 572712422 /nfs/dbraw/zinc/71/24/22/572712422.db2.gz PXBAYEISDAPALV-UHFFFAOYSA-N 0 3 187.283 2.370 10 0 AEAEHN FCCNCCCOc1ccccc1 87775083 572712904 /nfs/dbraw/zinc/71/29/04/572712904.db2.gz ZKLOVFWOSXJMQL-UHFFFAOYSA-N 0 3 197.253 2.015 10 0 AEAEHN COCc1oc(C(C)C)cc1CN 77086724 572712975 /nfs/dbraw/zinc/71/29/75/572712975.db2.gz ZKXUVZAUHLXTLG-UHFFFAOYSA-N 0 3 183.251 2.008 10 0 AEAEHN FCCN[C@@H]1C[C@H]1c1ccccc1 87775003 572712998 /nfs/dbraw/zinc/71/29/98/572712998.db2.gz UIACJJAYDGJWRY-WDEREUQCSA-N 0 3 179.238 2.102 10 0 AEAEHN COCc1oc(C(C)(C)C)cc1CN 77086812 572713079 /nfs/dbraw/zinc/71/30/79/572713079.db2.gz UOSZRBQMSLYENE-UHFFFAOYSA-N 0 3 197.278 2.182 10 0 AEAEHN CNCc1cc(C(C)C)oc1COC 77086706 572713248 /nfs/dbraw/zinc/71/32/48/572713248.db2.gz WAKOGIQGBNLXFZ-UHFFFAOYSA-N 0 3 197.278 2.269 10 0 AEAEHN Cc1cc([C@H](C)N)c(C2CC2)o1 77082521 572713316 /nfs/dbraw/zinc/71/33/16/572713316.db2.gz RRVOSDJACLXHOX-ZETCQYMHSA-N 0 3 165.236 2.485 10 0 AEAEHN CCCc1oc(C)cc1CNC 77080354 572713440 /nfs/dbraw/zinc/71/34/40/572713440.db2.gz DUVWCDPFXXUTPI-UHFFFAOYSA-N 0 3 167.252 2.260 10 0 AEAEHN COCc1oc(C)cc1CNC(C)C 77086600 572713881 /nfs/dbraw/zinc/71/38/81/572713881.db2.gz YAZWMVUUNJQACU-UHFFFAOYSA-N 0 3 197.278 2.232 10 0 AEAEHN CCCNCc1cc(C)oc1COC 77086601 572713941 /nfs/dbraw/zinc/71/39/41/572713941.db2.gz KJJHYRJXZRPSQB-UHFFFAOYSA-N 0 3 197.278 2.234 10 0 AEAEHN CC[C@@H](N[C@@H]1CCOC1)c1ccco1 87783124 572714312 /nfs/dbraw/zinc/71/43/12/572714312.db2.gz AHEUXBPIPAYGCS-NXEZZACHSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@H](N[C@@H]1CCOC1)c1ccco1 87783123 572714647 /nfs/dbraw/zinc/71/46/47/572714647.db2.gz AHEUXBPIPAYGCS-ZJUUUORDSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@@H](N[C@H]1CCOC1)c1ccco1 87783129 572715168 /nfs/dbraw/zinc/71/51/68/572715168.db2.gz AHEUXBPIPAYGCS-VHSXEESVSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@H](N[C@H]1CCOC1)c1ccco1 87783127 572716173 /nfs/dbraw/zinc/71/61/73/572716173.db2.gz AHEUXBPIPAYGCS-UWVGGRQHSA-N 0 3 195.262 2.109 10 0 AEAEHN Nc1nc2c([nH]1)CCCc1ccccc1-2 85279275 572719174 /nfs/dbraw/zinc/71/91/74/572719174.db2.gz PHSTZQDMEBVEJG-UHFFFAOYSA-N 0 3 199.257 2.148 10 0 AEAEHN CCN[C@@H](C)c1cnn(CC(C)C)c1 54721089 572720006 /nfs/dbraw/zinc/72/00/06/572720006.db2.gz RYYCFSOMTXYOLZ-JTQLQIEISA-N 0 3 195.310 2.210 10 0 AEAEHN Cc1sc(CN)cc1COC(C)C 87794584 572722249 /nfs/dbraw/zinc/72/22/49/572722249.db2.gz VYZUZAPHPOMGGA-UHFFFAOYSA-N 0 3 199.319 2.440 10 0 AEAEHN C/C=C\CNCc1ccc(C)nc1 308099806 572722902 /nfs/dbraw/zinc/72/29/02/572722902.db2.gz FMWCGEVKGHSLIL-ARJAWSKDSA-N 0 3 176.263 2.056 10 0 AEAEHN CCCCN(C)c1cccc(NC)n1 87801056 572723474 /nfs/dbraw/zinc/72/34/74/572723474.db2.gz IGXPBHVMKSEVKX-UHFFFAOYSA-N 0 3 193.294 2.360 10 0 AEAEHN CCc1oc(C)c(C)c1CNC 77088726 572723522 /nfs/dbraw/zinc/72/35/22/572723522.db2.gz PLELVWHLIJGAAD-UHFFFAOYSA-N 0 3 167.252 2.178 10 0 AEAEHN CCCOCc1cc(CN)sc1C 87794604 572724332 /nfs/dbraw/zinc/72/43/32/572724332.db2.gz XYQUNWZCDQWFQE-UHFFFAOYSA-N 0 3 199.319 2.442 10 0 AEAEHN CN[C@H](CC(C)(C)OC)c1ccoc1 230981461 572726979 /nfs/dbraw/zinc/72/69/79/572726979.db2.gz SKOJQDQHETUGJY-SNVBAGLBSA-N 0 3 197.278 2.355 10 0 AEAEHN CNCc1c(C)oc2c1C[C@@H](C)CC2 77090732 572726753 /nfs/dbraw/zinc/72/67/53/572726753.db2.gz INSWCRZTOUGWIH-QMMMGPOBSA-N 0 3 193.290 2.432 10 0 AEAEHN CCc1oc2c(c1[C@H](C)N)CCC2 77089696 572726965 /nfs/dbraw/zinc/72/69/65/572726965.db2.gz ZBNVZTDAJPZGFX-ZETCQYMHSA-N 0 3 179.263 2.350 10 0 AEAEHN CN[C@H](CC(C)(C)OC)c1ccco1 230981483 572727107 /nfs/dbraw/zinc/72/71/07/572727107.db2.gz KLTJBQOPUOPWTD-SECBINFHSA-N 0 3 197.278 2.355 10 0 AEAEHN COC(C)(C)C[C@@H](N)c1ccoc1 230981464 572727170 /nfs/dbraw/zinc/72/71/70/572727170.db2.gz OQTKSXWVXMQVST-SECBINFHSA-N 0 3 183.251 2.095 10 0 AEAEHN Cc1oc2c(c1CN)C[C@@H](C)CC2 77090768 572727893 /nfs/dbraw/zinc/72/78/93/572727893.db2.gz SQPTWGPRUHAWCT-ZETCQYMHSA-N 0 3 179.263 2.172 10 0 AEAEHN CCNCc1c(COC)oc(C)c1C 77089303 572727345 /nfs/dbraw/zinc/72/73/45/572727345.db2.gz DHMONJXMXFZDGB-UHFFFAOYSA-N 0 3 197.278 2.152 10 0 AEAEHN CCCc1oc2c(c1CN)CCC2 77089815 572727456 /nfs/dbraw/zinc/72/74/56/572727456.db2.gz NJWNLWVFXTXKPB-UHFFFAOYSA-N 0 3 179.263 2.180 10 0 AEAEHN COCc1oc(C)c(C)c1[C@H](C)N 77089397 572727522 /nfs/dbraw/zinc/72/75/22/572727522.db2.gz JTTDYEZVGUTWSI-ZETCQYMHSA-N 0 3 183.251 2.063 10 0 AEAEHN CNCc1c(C2CC2)oc2c1CCC2 77089889 572727590 /nfs/dbraw/zinc/72/75/90/572727590.db2.gz DEDRAUAUDNCTAV-UHFFFAOYSA-N 0 3 191.274 2.365 10 0 AEAEHN COC(C)(C)C[C@H](N)c1ccco1 230981488 572727597 /nfs/dbraw/zinc/72/75/97/572727597.db2.gz QDYBAVLVDSWJOZ-QMMMGPOBSA-N 0 3 183.251 2.095 10 0 AEAEHN Cc1oc2c(c1[C@@H](C)N)CCCC2 77090260 572727704 /nfs/dbraw/zinc/72/77/04/572727704.db2.gz SXRPEOQNVDXSEE-SSDOTTSWSA-N 0 3 179.263 2.487 10 0 AEAEHN CC(C)c1oc2c(c1CN)CCC2 77089723 572727715 /nfs/dbraw/zinc/72/77/15/572727715.db2.gz JBCWIXRAMQRPRS-UHFFFAOYSA-N 0 3 179.263 2.350 10 0 AEAEHN CCc1oc2c(c1CNC)CCCC2 77090269 572727735 /nfs/dbraw/zinc/72/77/35/572727735.db2.gz LTLLBVSRZLGTMY-UHFFFAOYSA-N 0 3 193.290 2.440 10 0 AEAEHN CNCc1c(C)oc2c1C[C@H](C)CC2 77090733 572727941 /nfs/dbraw/zinc/72/79/41/572727941.db2.gz INSWCRZTOUGWIH-MRVPVSSYSA-N 0 3 193.290 2.432 10 0 AEAEHN CCNCc1c(CC)oc2c1CCC2 77089602 572727985 /nfs/dbraw/zinc/72/79/85/572727985.db2.gz CNLIXFYUXSDOPF-UHFFFAOYSA-N 0 3 193.290 2.440 10 0 AEAEHN Cc1oc2c(c1[C@H](C)N)CCC2 77089592 572728134 /nfs/dbraw/zinc/72/81/34/572728134.db2.gz RCDJFOPTVSQFPX-LURJTMIESA-N 0 3 165.236 2.096 10 0 AEAEHN Cc1oc2c(c1CNC1CC1)CCC2 77089499 572728356 /nfs/dbraw/zinc/72/83/56/572728356.db2.gz OGGJRSIWBKVBRA-UHFFFAOYSA-N 0 3 191.274 2.329 10 0 AEAEHN NCc1c(C2CC2)oc2c1CCCC2 77090512 572728485 /nfs/dbraw/zinc/72/84/85/572728485.db2.gz XBGUCJVCADYYER-UHFFFAOYSA-N 0 3 191.274 2.495 10 0 AEAEHN CCCc1oc2c(c1CNC)CCC2 77089797 572728458 /nfs/dbraw/zinc/72/84/58/572728458.db2.gz BNYHIVIJLDFSQD-UHFFFAOYSA-N 0 3 193.290 2.440 10 0 AEAEHN CC(C)NCc1cnc(C(C)C)nc1 54856056 572728482 /nfs/dbraw/zinc/72/84/82/572728482.db2.gz NNUXXOFRTBJJDV-UHFFFAOYSA-N 0 3 193.294 2.098 10 0 AEAEHN CCNCc1c(C)oc2c1CCC2 77089496 572728640 /nfs/dbraw/zinc/72/86/40/572728640.db2.gz NDQFJYVJEPWISG-UHFFFAOYSA-N 0 3 179.263 2.186 10 0 AEAEHN CCc1oc2c(c1CNC)CCC2 77089601 572728840 /nfs/dbraw/zinc/72/88/40/572728840.db2.gz JLWQIKJCIPVZCE-UHFFFAOYSA-N 0 3 179.263 2.050 10 0 AEAEHN CCc1oc2c(c1CN)CCCC2 77090287 572729023 /nfs/dbraw/zinc/72/90/23/572729023.db2.gz QVENEPDTPVKTKQ-UHFFFAOYSA-N 0 3 179.263 2.180 10 0 AEAEHN FC(F)(F)CCCN1CCCC1 308100594 572729049 /nfs/dbraw/zinc/72/90/49/572729049.db2.gz GBGNSXFTQWOMIS-UHFFFAOYSA-N 0 3 181.201 2.425 10 0 AEAEHN CNCc1c(C2CC2)oc(C)c1C 77089198 572729241 /nfs/dbraw/zinc/72/92/41/572729241.db2.gz NBBCYMFWUBNXPE-UHFFFAOYSA-N 0 3 179.263 2.493 10 0 AEAEHN CNCc1c(C)oc2c1CCCC2 77090168 572729306 /nfs/dbraw/zinc/72/93/06/572729306.db2.gz TYYPPWOHGMFVLA-UHFFFAOYSA-N 0 3 179.263 2.186 10 0 AEAEHN Cc1oc2c(c1[C@@H](C)N)CCC2 77089591 572729310 /nfs/dbraw/zinc/72/93/10/572729310.db2.gz RCDJFOPTVSQFPX-ZCFIWIBFSA-N 0 3 165.236 2.096 10 0 AEAEHN Cc1oc2c(c1[C@H](C)N)CCCC2 77090261 572729372 /nfs/dbraw/zinc/72/93/72/572729372.db2.gz SXRPEOQNVDXSEE-ZETCQYMHSA-N 0 3 179.263 2.487 10 0 AEAEHN COCc1oc(C)c(C)c1[C@@H](C)N 77089396 572729455 /nfs/dbraw/zinc/72/94/55/572729455.db2.gz JTTDYEZVGUTWSI-SSDOTTSWSA-N 0 3 183.251 2.063 10 0 AEAEHN Cc1oc2c(c1CN)C[C@H](C)CC2 77090769 572729547 /nfs/dbraw/zinc/72/95/47/572729547.db2.gz SQPTWGPRUHAWCT-SSDOTTSWSA-N 0 3 179.263 2.172 10 0 AEAEHN CCCN(C)c1ncc([C@@H](C)N)s1 54894993 572730212 /nfs/dbraw/zinc/73/02/12/572730212.db2.gz MBTRKAPXZOFHRE-SSDOTTSWSA-N 0 3 199.323 2.009 10 0 AEAEHN CC(C)N(C)c1ncc([C@@H](C)N)s1 54864375 572729893 /nfs/dbraw/zinc/72/98/93/572729893.db2.gz RJKWXMUMHKGSAK-SSDOTTSWSA-N 0 3 199.323 2.007 10 0 AEAEHN CC(C)N(C)c1ncc([C@H](C)N)s1 54864377 572730364 /nfs/dbraw/zinc/73/03/64/572730364.db2.gz RJKWXMUMHKGSAK-ZETCQYMHSA-N 0 3 199.323 2.007 10 0 AEAEHN Cc1cc(Cl)c2c(c1)[C@H](N)COC2 713740168 572730951 /nfs/dbraw/zinc/73/09/51/572730951.db2.gz BPCBDPOPSNRTAD-SNVBAGLBSA-N 0 3 197.665 2.178 10 0 AEAEHN CCc1oc2c(c1CN)C[C@@H](C)CC2 77090952 572731302 /nfs/dbraw/zinc/73/13/02/572731302.db2.gz QMCVSUDZXXLTSE-QMMMGPOBSA-N 0 3 193.290 2.426 10 0 AEAEHN CCCN(CC)C[C@H](F)CC 307891016 572732355 /nfs/dbraw/zinc/73/23/55/572732355.db2.gz ZMTGBUWMASJAGP-SECBINFHSA-N 0 3 161.264 2.466 10 0 AEAEHN CCCN(CC)C[C@@H](F)CC 307891018 572732438 /nfs/dbraw/zinc/73/24/38/572732438.db2.gz ZMTGBUWMASJAGP-VIFPVBQESA-N 0 3 161.264 2.466 10 0 AEAEHN C[C@@H]1C[C@H](OC2CNC2)CC(C)(C)C1 54931689 572733493 /nfs/dbraw/zinc/73/34/93/572733493.db2.gz JBSSKWWDECYCCF-ZJUUUORDSA-N 0 3 197.322 2.190 10 0 AEAEHN CC[C@@H](F)CN(C)[C@H](C)CC 307888415 572733496 /nfs/dbraw/zinc/73/34/96/572733496.db2.gz WXEVGQVPMXXIFN-RKDXNWHRSA-N 0 3 161.264 2.465 10 0 AEAEHN CC[C@H](F)CN(C)[C@@H](C)CC 307888414 572733954 /nfs/dbraw/zinc/73/39/54/572733954.db2.gz WXEVGQVPMXXIFN-IUCAKERBSA-N 0 3 161.264 2.465 10 0 AEAEHN CC[C@H](F)CN(C)[C@H](C)CC 307888412 572734665 /nfs/dbraw/zinc/73/46/65/572734665.db2.gz WXEVGQVPMXXIFN-BDAKNGLRSA-N 0 3 161.264 2.465 10 0 AEAEHN CN/C=C(\C)c1ccc(F)cc1 307889651 572736606 /nfs/dbraw/zinc/73/66/06/572736606.db2.gz GTMCESXBYCEFLL-BQYQJAHWSA-N 0 3 165.211 2.406 10 0 AEAEHN CC[C@H](C)N(C)C[C@H](F)CC 307888413 572734913 /nfs/dbraw/zinc/73/49/13/572734913.db2.gz WXEVGQVPMXXIFN-DTWKUNHWSA-N 0 3 161.264 2.465 10 0 AEAEHN N[C@H](CCCCF)c1ccoc1 308108523 572735172 /nfs/dbraw/zinc/73/51/72/572735172.db2.gz IYLYZVMZBPJITP-SECBINFHSA-N 0 3 171.215 2.419 10 0 AEAEHN C[C@@H]1C[C@@H](OC2CNC2)CC(C)(C)C1 54931691 572735234 /nfs/dbraw/zinc/73/52/34/572735234.db2.gz JBSSKWWDECYCCF-NXEZZACHSA-N 0 3 197.322 2.190 10 0 AEAEHN C[C@H]1C[C@H](OC2CNC2)CC(C)(C)C1 54931690 572735529 /nfs/dbraw/zinc/73/55/29/572735529.db2.gz JBSSKWWDECYCCF-UWVGGRQHSA-N 0 3 197.322 2.190 10 0 AEAEHN Cc1nc(CC(C)C)ncc1[C@@H](C)N 54962608 572735595 /nfs/dbraw/zinc/73/55/95/572735595.db2.gz GXFLABSTIKMFKX-MRVPVSSYSA-N 0 3 193.294 2.003 10 0 AEAEHN CCc1sc(C)cc1CN 77095975 572736479 /nfs/dbraw/zinc/73/64/79/572736479.db2.gz RROCARAZMZKELR-UHFFFAOYSA-N 0 3 155.266 2.078 10 0 AEAEHN C[C@H]1C[C@@H](OC2CNC2)CC(C)(C)C1 54931692 572736532 /nfs/dbraw/zinc/73/65/32/572736532.db2.gz JBSSKWWDECYCCF-VHSXEESVSA-N 0 3 197.322 2.190 10 0 AEAEHN CC(C)[C@@H]1N[C@@H](c2ccccc2)CO1 207954437 572737662 /nfs/dbraw/zinc/73/76/62/572737662.db2.gz VSVSVAPEZSLHAQ-VXGBXAGGSA-N 0 3 191.274 2.330 10 0 AEAEHN N[C@@H]1CC(=O)c2c1ccc(F)c2Cl 713744153 572737915 /nfs/dbraw/zinc/73/79/15/572737915.db2.gz NGMJGPVOAQDRBH-ZCFIWIBFSA-N 0 3 199.612 2.065 10 0 AEAEHN NCc1c(F)cccc1-c1ccc[nH]1 307632804 572738104 /nfs/dbraw/zinc/73/81/04/572738104.db2.gz MUIDSBYMPGWBKI-UHFFFAOYSA-N 0 3 190.221 2.280 10 0 AEAEHN CC(C)(C)c1cccc2c1[C@H](N)CO2 713743747 572738896 /nfs/dbraw/zinc/73/88/96/572738896.db2.gz RCEPMQZVUUCQSI-SECBINFHSA-N 0 3 191.274 2.376 10 0 AEAEHN CN(C)CCSC[Si](C)(C)C 307895212 572740305 /nfs/dbraw/zinc/74/03/05/572740305.db2.gz HRQISPKVMAGODP-UHFFFAOYSA-N 0 3 191.416 2.159 10 0 AEAEHN CC(C)c1cccc2c1[C@H](N)CO2 713741884 572740594 /nfs/dbraw/zinc/74/05/94/572740594.db2.gz HHFWWDGCPVOYRB-SECBINFHSA-N 0 3 177.247 2.202 10 0 AEAEHN CC(C)c1cccc2c1[C@@H](N)CO2 713741893 572740786 /nfs/dbraw/zinc/74/07/86/572740786.db2.gz HHFWWDGCPVOYRB-VIFPVBQESA-N 0 3 177.247 2.202 10 0 AEAEHN CC[C@@H](F)CN(CC)C1CC1 307895829 572740854 /nfs/dbraw/zinc/74/08/54/572740854.db2.gz INMCGBIGBJPWQI-MRVPVSSYSA-N 0 3 159.248 2.219 10 0 AEAEHN CC(C)(C)c1cccc2c1[C@@H](N)CO2 713743750 572741019 /nfs/dbraw/zinc/74/10/19/572741019.db2.gz RCEPMQZVUUCQSI-VIFPVBQESA-N 0 3 191.274 2.376 10 0 AEAEHN CC[C@H](F)CN(CC)C1CC1 307895831 572741179 /nfs/dbraw/zinc/74/11/79/572741179.db2.gz INMCGBIGBJPWQI-QMMMGPOBSA-N 0 3 159.248 2.219 10 0 AEAEHN COc1cc(C)cc(C)c1[C@H](F)CN 234817177 572741451 /nfs/dbraw/zinc/74/14/51/572741451.db2.gz MSMIRWWRLMXBLF-SECBINFHSA-N 0 3 197.253 2.281 10 0 AEAEHN C[C@H]1CCC[C@H]1N1CCC(=O)[C@H](C)C1 70831908 572742962 /nfs/dbraw/zinc/74/29/62/572742962.db2.gz XTGXBPCJIOGVQQ-HBNTYKKESA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1CN([C@H]2CCC[C@H]2C)CCC1=O 70831899 572743368 /nfs/dbraw/zinc/74/33/68/572743368.db2.gz XTGXBPCJIOGVQQ-MXWKQRLJSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1SCC[C@@H]1NC/C=C\Cl 307897853 572744328 /nfs/dbraw/zinc/74/43/28/572744328.db2.gz KBBKVLUCHMHGMJ-ABXVWLFBSA-N 0 3 191.727 2.223 10 0 AEAEHN C[C@@H]1SCC[C@H]1NC/C=C\Cl 307897854 572744369 /nfs/dbraw/zinc/74/43/69/572744369.db2.gz KBBKVLUCHMHGMJ-JCIYNLPVSA-N 0 3 191.727 2.223 10 0 AEAEHN C[C@H]1CCC[C@@H]1N1CCC(=O)[C@H](C)C1 70831901 572744863 /nfs/dbraw/zinc/74/48/63/572744863.db2.gz XTGXBPCJIOGVQQ-AXFHLTTASA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H](N[C@H]1CCC[C@@H]1C)c1cc[nH]n1 70825347 572745584 /nfs/dbraw/zinc/74/55/84/572745584.db2.gz GSPGPISYMZRKPF-GUBZILKMSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@H](N[C@@H]1CCC[C@H]1C)c1cc[nH]n1 70825353 572745658 /nfs/dbraw/zinc/74/56/58/572745658.db2.gz GSPGPISYMZRKPF-KXUCPTDWSA-N 0 3 193.294 2.249 10 0 AEAEHN CCSC[C@H](N)c1cnccc1C 85441607 572747345 /nfs/dbraw/zinc/74/73/45/572747345.db2.gz VQOCSURYBLRLNR-JTQLQIEISA-N 0 3 196.319 2.143 10 0 AEAEHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1cc[nH]n1 70825356 572745963 /nfs/dbraw/zinc/74/59/63/572745963.db2.gz GSPGPISYMZRKPF-LPEHRKFASA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@@H]1CN([C@@H]2CCC[C@H]2C)CCC1=O 70831905 572746211 /nfs/dbraw/zinc/74/62/11/572746211.db2.gz XTGXBPCJIOGVQQ-GMTAPVOTSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H](N[C@H]1CCC[C@H]1C)c1cc[nH]n1 70825344 572746273 /nfs/dbraw/zinc/74/62/73/572746273.db2.gz GSPGPISYMZRKPF-UTLUCORTSA-N 0 3 193.294 2.249 10 0 AEAEHN CN[C@H](CSC)c1cnccc1C 85441457 572746474 /nfs/dbraw/zinc/74/64/74/572746474.db2.gz CVQCQUVHCAWQHD-SNVBAGLBSA-N 0 3 196.319 2.014 10 0 AEAEHN CCSC[C@@H](N)c1cnccc1C 85441608 572746678 /nfs/dbraw/zinc/74/66/78/572746678.db2.gz VQOCSURYBLRLNR-SNVBAGLBSA-N 0 3 196.319 2.143 10 0 AEAEHN FC(F)(F)CCNC/C=C\Cl 307902617 572747897 /nfs/dbraw/zinc/74/78/97/572747897.db2.gz WHRMNACOWZNPBT-IWQZZHSRSA-N 0 3 187.592 2.281 10 0 AEAEHN CC(C)N(C)c1nc([C@@H](C)N)cs1 70844550 572748834 /nfs/dbraw/zinc/74/88/34/572748834.db2.gz IMZZMMQEKKSNMQ-SSDOTTSWSA-N 0 3 199.323 2.007 10 0 AEAEHN CN[C@@H](CSC)c1cnccc1C 85441459 572748968 /nfs/dbraw/zinc/74/89/68/572748968.db2.gz CVQCQUVHCAWQHD-JTQLQIEISA-N 0 3 196.319 2.014 10 0 AEAEHN Cl/C=C\CN[C@@H]1CCCSC1 307904948 572749349 /nfs/dbraw/zinc/74/93/49/572749349.db2.gz ZVMBJOKSOULIOH-DLRBJTRDSA-N 0 3 191.727 2.224 10 0 AEAEHN Cl/C=C\CN[C@H]1CCCSC1 307904953 572749769 /nfs/dbraw/zinc/74/97/69/572749769.db2.gz ZVMBJOKSOULIOH-LTMVXPGCSA-N 0 3 191.727 2.224 10 0 AEAEHN CCCNC1=N[C@@](C)(CC)CS1 70889863 572753981 /nfs/dbraw/zinc/75/39/81/572753981.db2.gz AEPNLWHIRWUVJI-VIFPVBQESA-N 0 3 186.324 2.258 10 0 AEAEHN CC[C@]1(C)CO[C@@H](c2ccco2)CN1 70893487 572751728 /nfs/dbraw/zinc/75/17/28/572751728.db2.gz BUHROQYABRHQPJ-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@]1(C)CSC(N[C@H]2C[C@@H]2C)=N1 70892078 572751786 /nfs/dbraw/zinc/75/17/86/572751786.db2.gz ZVRXAFGDCWMBOE-OYNCUSHFSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@]1(C)CO[C@H](c2ccco2)CN1 70893482 572752037 /nfs/dbraw/zinc/75/20/37/572752037.db2.gz BUHROQYABRHQPJ-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@H](C)NC1=NC[C@H](C2CC2)S1 70887091 572753420 /nfs/dbraw/zinc/75/34/20/572753420.db2.gz BWRSYYZHUIFMPN-IONNQARKSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@]1(C)CO[C@@H](c2ccco2)CN1 70893492 572753109 /nfs/dbraw/zinc/75/31/09/572753109.db2.gz BUHROQYABRHQPJ-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@@H](C)NC1=NC[C@H](C2CC2)S1 70887087 572753257 /nfs/dbraw/zinc/75/32/57/572753257.db2.gz BWRSYYZHUIFMPN-VXNVDRBHSA-N 0 3 198.335 2.256 10 0 AEAEHN CCCNC1=N[C@](C)(CC)CS1 70889868 572753300 /nfs/dbraw/zinc/75/33/00/572753300.db2.gz AEPNLWHIRWUVJI-SECBINFHSA-N 0 3 186.324 2.258 10 0 AEAEHN CC(C)CNC1=NC[C@@H](C2CC2)S1 70887125 572753972 /nfs/dbraw/zinc/75/39/72/572753972.db2.gz MLMXCNUCAJYAEJ-VIFPVBQESA-N 0 3 198.335 2.113 10 0 AEAEHN CC(C)CNC1=NC[C@H](C2CC2)S1 70887119 572754035 /nfs/dbraw/zinc/75/40/35/572754035.db2.gz MLMXCNUCAJYAEJ-SECBINFHSA-N 0 3 198.335 2.113 10 0 AEAEHN CC[C@H](C)NC1=NC[C@@H](C2CC2)S1 70887100 572754216 /nfs/dbraw/zinc/75/42/16/572754216.db2.gz BWRSYYZHUIFMPN-CBAPKCEASA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)CO[C@H](c2ccco2)CN1 70893473 572754492 /nfs/dbraw/zinc/75/44/92/572754492.db2.gz BUHROQYABRHQPJ-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@H]1C[C@H]1NCc1ccc(C)nc1 231363590 572754589 /nfs/dbraw/zinc/75/45/89/572754589.db2.gz JNMCPIDWJLZWKX-NWDGAFQWSA-N 0 3 190.290 2.278 10 0 AEAEHN C[C@H]1CC(C)(C)C[C@@]12CNC[C@@H](C)O2 235337777 572755941 /nfs/dbraw/zinc/75/59/41/572755941.db2.gz GRQWDHWRAKAABC-HOSYDEDBSA-N 0 3 197.322 2.190 10 0 AEAEHN C[C@@H]1CNC[C@@]2(CC(C)(C)C[C@H]2C)O1 235337809 572756418 /nfs/dbraw/zinc/75/64/18/572756418.db2.gz GRQWDHWRAKAABC-CKYFFXLPSA-N 0 3 197.322 2.190 10 0 AEAEHN C/C=C\CNCc1cccc(C)n1 308111336 572760944 /nfs/dbraw/zinc/76/09/44/572760944.db2.gz YCMHLNAEKSYMGF-ARJAWSKDSA-N 0 3 176.263 2.056 10 0 AEAEHN Cc1cc(C(C)C)nc(C(C)(C)N)n1 70951064 572761254 /nfs/dbraw/zinc/76/12/54/572761254.db2.gz AFCSWXLUDKSFAU-UHFFFAOYSA-N 0 3 193.294 2.102 10 0 AEAEHN CC(C)[C@H](N)c1cc2[nH]ccc2cn1 713746354 572763694 /nfs/dbraw/zinc/76/36/94/572763694.db2.gz CDYVYQCHJDKPBV-NSHDSACASA-N 0 3 189.262 2.219 10 0 AEAEHN CC(C)[C@@H](N)c1cc2[nH]ccc2cn1 713746345 572763470 /nfs/dbraw/zinc/76/34/70/572763470.db2.gz CDYVYQCHJDKPBV-LLVKDONJSA-N 0 3 189.262 2.219 10 0 AEAEHN CC(C)(C)CCn1cccc1CN 85581689 572765482 /nfs/dbraw/zinc/76/54/82/572765482.db2.gz HRDYWWAUSFWWQT-UHFFFAOYSA-N 0 3 180.295 2.383 10 0 AEAEHN CCC[C@@H](C)Cn1cccc1CN 85581871 572767350 /nfs/dbraw/zinc/76/73/50/572767350.db2.gz JPIMNZPSLUWTLN-SNVBAGLBSA-N 0 3 180.295 2.383 10 0 AEAEHN FC(F)n1cccc1CNC1CC1 85583964 572767555 /nfs/dbraw/zinc/76/75/55/572767555.db2.gz LMYGLCVRKVNZKP-UHFFFAOYSA-N 0 3 186.205 2.135 10 0 AEAEHN CCC[C@H](C)Cn1cccc1CN 85581874 572767999 /nfs/dbraw/zinc/76/79/99/572767999.db2.gz JPIMNZPSLUWTLN-JTQLQIEISA-N 0 3 180.295 2.383 10 0 AEAEHN N[C@H](CCCCF)c1cncs1 308123778 572768676 /nfs/dbraw/zinc/76/86/76/572768676.db2.gz SVWFSZIOSWUZFQ-SSDOTTSWSA-N 0 3 188.271 2.283 10 0 AEAEHN N[C@@H](CCCCF)c1cncs1 308123779 572769502 /nfs/dbraw/zinc/76/95/02/572769502.db2.gz SVWFSZIOSWUZFQ-ZETCQYMHSA-N 0 3 188.271 2.283 10 0 AEAEHN C/C=C\CCNCc1nccs1 307924821 572773315 /nfs/dbraw/zinc/77/33/15/572773315.db2.gz CYBWTFLROJBHED-IHWYPQMZSA-N 0 3 182.292 2.199 10 0 AEAEHN CC[C@@H](F)CN(C)CC(C)C 307927637 572775217 /nfs/dbraw/zinc/77/52/17/572775217.db2.gz SNQQCVOVIIQJRB-SECBINFHSA-N 0 3 161.264 2.322 10 0 AEAEHN CC[C@H](F)CN(C)CC(C)C 307927638 572776167 /nfs/dbraw/zinc/77/61/67/572776167.db2.gz SNQQCVOVIIQJRB-VIFPVBQESA-N 0 3 161.264 2.322 10 0 AEAEHN CCCC[C@H](N)c1cc(N)c(C)cn1 713748908 572777402 /nfs/dbraw/zinc/77/74/02/572777402.db2.gz OIDOJGVVTZBSNZ-VIFPVBQESA-N 0 3 193.294 2.162 10 0 AEAEHN CCCC[C@@H](N)c1cc(N)c(C)cn1 713748894 572779321 /nfs/dbraw/zinc/77/93/21/572779321.db2.gz OIDOJGVVTZBSNZ-SECBINFHSA-N 0 3 193.294 2.162 10 0 AEAEHN CC(C)[C@H](N)c1cc2ccncc2o1 713750399 572780665 /nfs/dbraw/zinc/78/06/65/572780665.db2.gz VKWJGBAXKVGZQU-NSHDSACASA-N 0 3 190.246 2.484 10 0 AEAEHN Cc1cc2c(cn1)[C@@H](N)c1ccccc1-2 238527328 572782266 /nfs/dbraw/zinc/78/22/66/572782266.db2.gz RGTSRIWXKBDHSM-ZDUSSCGKSA-N 0 3 196.253 2.419 10 0 AEAEHN CCCCn1ncc(CN)c1C1CC1 85655311 572782422 /nfs/dbraw/zinc/78/24/22/572782422.db2.gz LBXKOEJTYSXQGH-UHFFFAOYSA-N 0 3 193.294 2.019 10 0 AEAEHN CC(C)NCc1c[nH]nc1C(C)C 85654878 572783026 /nfs/dbraw/zinc/78/30/26/572783026.db2.gz XCLURWNKPLDPTA-UHFFFAOYSA-N 0 3 181.283 2.031 10 0 AEAEHN CC(C)[C@@H](N)c1cc2ccncc2o1 713750394 572783044 /nfs/dbraw/zinc/78/30/44/572783044.db2.gz VKWJGBAXKVGZQU-LLVKDONJSA-N 0 3 190.246 2.484 10 0 AEAEHN CCCc1c(CN)cnn1[C@@H](C)CC 85655347 572783287 /nfs/dbraw/zinc/78/32/87/572783287.db2.gz BAGSLFRQOZPVOP-VIFPVBQESA-N 0 3 195.310 2.265 10 0 AEAEHN CCCc1c(CN)cnn1[C@H](C)CC 85655348 572783553 /nfs/dbraw/zinc/78/35/53/572783553.db2.gz BAGSLFRQOZPVOP-SECBINFHSA-N 0 3 195.310 2.265 10 0 AEAEHN C[C@H]1CC[C@H](NCc2ccns2)C1 404481589 572784148 /nfs/dbraw/zinc/78/41/48/572784148.db2.gz GSMNZBZYFIFQSM-IUCAKERBSA-N 0 3 196.319 2.421 10 0 AEAEHN CCN[C@@H](C=C(C)C)c1cn[nH]c1 308129807 572784354 /nfs/dbraw/zinc/78/43/54/572784354.db2.gz ACHWTRORANDZDP-JTQLQIEISA-N 0 3 179.267 2.027 10 0 AEAEHN CCCCn1ncc(CN)c1CCC 85655303 572784645 /nfs/dbraw/zinc/78/46/45/572784645.db2.gz OLUMKBICSJKTGG-UHFFFAOYSA-N 0 3 195.310 2.094 10 0 AEAEHN CCN(CC)[C@](C)(CC)C(C)=O 85747285 572788738 /nfs/dbraw/zinc/78/87/38/572788738.db2.gz PJAIWNQEWKVKNJ-SNVBAGLBSA-N 0 3 171.284 2.086 10 0 AEAEHN CCCCn1ncc(CN)c1C(C)C 85655323 572785097 /nfs/dbraw/zinc/78/50/97/572785097.db2.gz IDIFIJKVPGQOIT-UHFFFAOYSA-N 0 3 195.310 2.265 10 0 AEAEHN C[C@@H]1CC[C@@H](NCc2ccns2)C1 404481591 572785123 /nfs/dbraw/zinc/78/51/23/572785123.db2.gz GSMNZBZYFIFQSM-RKDXNWHRSA-N 0 3 196.319 2.421 10 0 AEAEHN CCN[C@H](C=C(C)C)c1cn[nH]c1 308129812 572785263 /nfs/dbraw/zinc/78/52/63/572785263.db2.gz ACHWTRORANDZDP-SNVBAGLBSA-N 0 3 179.267 2.027 10 0 AEAEHN OCCCCN1CC2(CCCCC2)C1 236490822 572785332 /nfs/dbraw/zinc/78/53/32/572785332.db2.gz IBJHQMSTNHBKLJ-UHFFFAOYSA-N 0 3 197.322 2.025 10 0 AEAEHN Cc1ccnc2c1[C@H](N)c1ccccc1-2 238547886 572785370 /nfs/dbraw/zinc/78/53/70/572785370.db2.gz GAKZUQOQFQABPV-GFCCVEGCSA-N 0 3 196.253 2.419 10 0 AEAEHN CN(CCC1CCC1)CC(=O)C1CC1 688689904 572786463 /nfs/dbraw/zinc/78/64/63/572786463.db2.gz BKOONPWLFMOGTM-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CCC[C@@H](N)c1cc2[nH]ccc2cn1 713750915 572786644 /nfs/dbraw/zinc/78/66/44/572786644.db2.gz XEQPOXKVWWOIJQ-SECBINFHSA-N 0 3 189.262 2.363 10 0 AEAEHN CC[C@](C)([C@@H](O)c1ccoc1)N(C)C 85744569 572787324 /nfs/dbraw/zinc/78/73/24/572787324.db2.gz RNHXPVXSRUZCRB-WDEREUQCSA-N 0 3 197.278 2.043 10 0 AEAEHN CCC[C@H](N)c1cc2[nH]ccc2cn1 713750918 572787805 /nfs/dbraw/zinc/78/78/05/572787805.db2.gz XEQPOXKVWWOIJQ-VIFPVBQESA-N 0 3 189.262 2.363 10 0 AEAEHN CCCC(=O)C(C)(C)N1CCCC1 85739749 572787826 /nfs/dbraw/zinc/78/78/26/572787826.db2.gz GBECKWGRRAMNLL-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CC[C@@](C)(C(=O)CC1CCC1)N(C)C 85743397 572788073 /nfs/dbraw/zinc/78/80/73/572788073.db2.gz VLCUFEKBIPRBQL-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@](C)(C(=O)CC1CC1)N(C)C 85743656 572788106 /nfs/dbraw/zinc/78/81/06/572788106.db2.gz ONJGFKRKLHYPSN-LLVKDONJSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)[C@@](C)(CC)N(CC)CC 85747200 572788112 /nfs/dbraw/zinc/78/81/12/572788112.db2.gz YLNZYGXMAPYCTF-LLVKDONJSA-N 0 3 185.311 2.476 10 0 AEAEHN C/C=C\CCNc1ccncc1 307932905 572788119 /nfs/dbraw/zinc/78/81/19/572788119.db2.gz PRTITNGMEYFOLU-IHWYPQMZSA-N 0 3 162.236 2.460 10 0 AEAEHN CCCC(=O)C(C)(C)N(CC)CC 85738447 572788182 /nfs/dbraw/zinc/78/81/82/572788182.db2.gz JUWMCPNGGPMMIA-UHFFFAOYSA-N 0 3 185.311 2.476 10 0 AEAEHN CC[C@@](C)(C(=O)C1CCCC1)N(C)C 85743190 572788189 /nfs/dbraw/zinc/78/81/89/572788189.db2.gz AXODITAKUICGEB-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@](C)([C@@H](N)c1ccoc1)N(C)C 85745806 572788271 /nfs/dbraw/zinc/78/82/71/572788271.db2.gz FDUFEDWTYYCKAX-QWRGUYRKSA-N 0 3 196.294 2.010 10 0 AEAEHN CC[C@](C)([C@@H](N)c1ccoc1)N(C)C 85745809 572788354 /nfs/dbraw/zinc/78/83/54/572788354.db2.gz FDUFEDWTYYCKAX-WDEREUQCSA-N 0 3 196.294 2.010 10 0 AEAEHN CCC[C@@H](N)c1cc2cc[nH]c2cn1 713753053 572788367 /nfs/dbraw/zinc/78/83/67/572788367.db2.gz LBNFUEHHFHAPQN-SECBINFHSA-N 0 3 189.262 2.363 10 0 AEAEHN CC[C@@](C)([C@H](N)c1ccco1)N(C)C 85745526 572788451 /nfs/dbraw/zinc/78/84/51/572788451.db2.gz YRWRBBCXJLDCTC-MNOVXSKESA-N 0 3 196.294 2.010 10 0 AEAEHN CC[C@](C)([C@H](O)c1ccoc1)N(C)C 85744562 572788715 /nfs/dbraw/zinc/78/87/15/572788715.db2.gz RNHXPVXSRUZCRB-GHMZBOCLSA-N 0 3 197.278 2.043 10 0 AEAEHN CCC[C@H](N)c1cc2cc[nH]c2cn1 713753055 572788876 /nfs/dbraw/zinc/78/88/76/572788876.db2.gz LBNFUEHHFHAPQN-VIFPVBQESA-N 0 3 189.262 2.363 10 0 AEAEHN CC(C)CC(=O)C(C)(C)N1CCCC1 85739778 572788912 /nfs/dbraw/zinc/78/89/12/572788912.db2.gz MTQZUHXHAOALSZ-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@](C)(C(=O)C1CCCC1)N(C)C 85743193 572789015 /nfs/dbraw/zinc/78/90/15/572789015.db2.gz AXODITAKUICGEB-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCCC(=O)[C@](C)(CC)N(C)C 85742985 572789715 /nfs/dbraw/zinc/78/97/15/572789715.db2.gz UMHYJKCWNSOFPT-NSHDSACASA-N 0 3 185.311 2.476 10 0 AEAEHN CC[C@](C)(C(=O)CC1CCC1)N(C)C 85743401 572789089 /nfs/dbraw/zinc/78/90/89/572789089.db2.gz VLCUFEKBIPRBQL-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)C(C)(C)N(CC)CC 85738391 572789272 /nfs/dbraw/zinc/78/92/72/572789272.db2.gz NCZQKWDBNDVAMR-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(=O)[C@](C)(CC)N(CC)CC 85747202 572789336 /nfs/dbraw/zinc/78/93/36/572789336.db2.gz YLNZYGXMAPYCTF-NSHDSACASA-N 0 3 185.311 2.476 10 0 AEAEHN CC[C@](C)([C@H](N)c1ccco1)N(C)C 85745531 572789375 /nfs/dbraw/zinc/78/93/75/572789375.db2.gz YRWRBBCXJLDCTC-GHMZBOCLSA-N 0 3 196.294 2.010 10 0 AEAEHN CCN(CC)[C@@](C)(CC)C(C)=O 85747282 572789401 /nfs/dbraw/zinc/78/94/01/572789401.db2.gz PJAIWNQEWKVKNJ-JTQLQIEISA-N 0 3 171.284 2.086 10 0 AEAEHN CC[C@](C)(C(=O)C(C)(C)C)N(C)C 85742991 572789489 /nfs/dbraw/zinc/78/94/89/572789489.db2.gz MLXYTLRBTBZCGU-LLVKDONJSA-N 0 3 185.311 2.332 10 0 AEAEHN CCCC(=O)[C@@](C)(CC)N(C)C 85743153 572789610 /nfs/dbraw/zinc/78/96/10/572789610.db2.gz XVDSSAFDCAHPMZ-SNVBAGLBSA-N 0 3 171.284 2.086 10 0 AEAEHN CC[C@](C)([C@@H](N)c1ccco1)N(C)C 85745540 572789808 /nfs/dbraw/zinc/78/98/08/572789808.db2.gz YRWRBBCXJLDCTC-WDEREUQCSA-N 0 3 196.294 2.010 10 0 AEAEHN CC[C@@](C)(C(=O)CC(C)C)N(C)C 85743227 572791339 /nfs/dbraw/zinc/79/13/39/572791339.db2.gz JPKOMQMQMABPGH-NSHDSACASA-N 0 3 185.311 2.332 10 0 AEAEHN CCN(CC)[C@](C)(CC)C(=O)C1CC1 85747230 572789992 /nfs/dbraw/zinc/78/99/92/572789992.db2.gz RUDUIWCHBBGFIX-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC(=O)[C@](C)(CC)N(C)C 85743157 572790089 /nfs/dbraw/zinc/79/00/89/572790089.db2.gz XVDSSAFDCAHPMZ-JTQLQIEISA-N 0 3 171.284 2.086 10 0 AEAEHN C/C=C\CN(C)CCOC(C)(C)C 308128125 572790091 /nfs/dbraw/zinc/79/00/91/572790091.db2.gz AKNUIXYMTWPNBJ-SREVYHEPSA-N 0 3 185.311 2.309 10 0 AEAEHN CC[C@@](C)(C(=O)C(C)(C)C)N(C)C 85742989 572790179 /nfs/dbraw/zinc/79/01/79/572790179.db2.gz MLXYTLRBTBZCGU-NSHDSACASA-N 0 3 185.311 2.332 10 0 AEAEHN CC(=O)[C@@H](C)N1CC[C@@H](CC(C)C)C1 307769731 572790263 /nfs/dbraw/zinc/79/02/63/572790263.db2.gz BKKBIDYYDQOUFA-PWSUYJOCSA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@@](C)(C(=O)CCC1CC1)N(C)C 85743570 572790382 /nfs/dbraw/zinc/79/03/82/572790382.db2.gz IBALNZBNSWXNEP-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CCN(CC)C(C)(C)C(=O)C(C)C 85738444 572790430 /nfs/dbraw/zinc/79/04/30/572790430.db2.gz PSOBHIPGSDDLSI-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN CC[C@@](C)([C@H](O)c1ccoc1)N(C)C 85744559 572790493 /nfs/dbraw/zinc/79/04/93/572790493.db2.gz RNHXPVXSRUZCRB-MNOVXSKESA-N 0 3 197.278 2.043 10 0 AEAEHN CC[C@](C)(C(=O)CCC1CC1)N(C)C 85743574 572790589 /nfs/dbraw/zinc/79/05/89/572790589.db2.gz IBALNZBNSWXNEP-GFCCVEGCSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@](C)([C@@H](O)c1ccoc1)N(C)C 85744567 572790643 /nfs/dbraw/zinc/79/06/43/572790643.db2.gz RNHXPVXSRUZCRB-QWRGUYRKSA-N 0 3 197.278 2.043 10 0 AEAEHN CC[C@](C)(C(=O)CC(C)C)N(C)C 85743231 572790803 /nfs/dbraw/zinc/79/08/03/572790803.db2.gz JPKOMQMQMABPGH-LLVKDONJSA-N 0 3 185.311 2.332 10 0 AEAEHN CC[C@](C)([C@H](N)c1ccoc1)N(C)C 85745803 572790954 /nfs/dbraw/zinc/79/09/54/572790954.db2.gz FDUFEDWTYYCKAX-GHMZBOCLSA-N 0 3 196.294 2.010 10 0 AEAEHN CC[C@@](C)(C(=O)CC1CC1)N(C)C 85743653 572791013 /nfs/dbraw/zinc/79/10/13/572791013.db2.gz ONJGFKRKLHYPSN-NSHDSACASA-N 0 3 183.295 2.086 10 0 AEAEHN C/C=C/CN(C)CCOC(C)(C)C 308128126 572791747 /nfs/dbraw/zinc/79/17/47/572791747.db2.gz AKNUIXYMTWPNBJ-VOTSOKGWSA-N 0 3 185.311 2.309 10 0 AEAEHN CC[C@@](C)([C@@H](N)c1ccco1)N(C)C 85745534 572791331 /nfs/dbraw/zinc/79/13/31/572791331.db2.gz YRWRBBCXJLDCTC-QWRGUYRKSA-N 0 3 196.294 2.010 10 0 AEAEHN CC[C@@](C)([C@H](N)c1ccoc1)N(C)C 85745799 572791386 /nfs/dbraw/zinc/79/13/86/572791386.db2.gz FDUFEDWTYYCKAX-MNOVXSKESA-N 0 3 196.294 2.010 10 0 AEAEHN CC(=O)[C@@H](C)N1CC[C@H](CC(C)C)C1 307769733 572791498 /nfs/dbraw/zinc/79/14/98/572791498.db2.gz BKKBIDYYDQOUFA-ZYHUDNBSSA-N 0 3 197.322 2.332 10 0 AEAEHN CCN(CC)C(C)(C)C(=O)C1CC1 85738413 572791549 /nfs/dbraw/zinc/79/15/49/572791549.db2.gz PGRDXRQMPBHPJX-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@@H](CC(C)C)C1 307769730 572791631 /nfs/dbraw/zinc/79/16/31/572791631.db2.gz BKKBIDYYDQOUFA-JQWIXIFHSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@H](CC(C)C)C1 307769728 572791795 /nfs/dbraw/zinc/79/17/95/572791795.db2.gz BKKBIDYYDQOUFA-CMPLNLGQSA-N 0 3 197.322 2.332 10 0 AEAEHN N=C(C1CC1)C1(C(=O)C2CC2)CC1 238554360 572792315 /nfs/dbraw/zinc/79/23/15/572792315.db2.gz PRFYKKCQXIIVHV-UHFFFAOYSA-N 0 3 177.247 2.175 10 0 AEAEHN Cc1cc(Cl)c2c(c1)COC[C@@H]2N 713756209 572792805 /nfs/dbraw/zinc/79/28/05/572792805.db2.gz ULSJTMNGDMZXIV-VIFPVBQESA-N 0 3 197.665 2.178 10 0 AEAEHN C[C@H]1CC[C@@H](NCc2ccns2)C1 404481587 572792847 /nfs/dbraw/zinc/79/28/47/572792847.db2.gz GSMNZBZYFIFQSM-DTWKUNHWSA-N 0 3 196.319 2.421 10 0 AEAEHN CO[C@@H](C)CN(C)Cc1ccccc1 198664721 572794788 /nfs/dbraw/zinc/79/47/88/572794788.db2.gz SZRJPJVQRAKDAM-NSHDSACASA-N 0 3 193.290 2.153 10 0 AEAEHN CCC(CC)(C(=O)C(C)C)N(C)C 85750268 572795459 /nfs/dbraw/zinc/79/54/59/572795459.db2.gz QMFYYMJOIHBEJZ-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN CCc1nc(CC(C)(C)C)n(C)c1N 257564611 572795617 /nfs/dbraw/zinc/79/56/17/572795617.db2.gz MIQKSATVSFHFGP-UHFFFAOYSA-N 0 3 195.310 2.153 10 0 AEAEHN CCCC(=O)C(CC)(CC)N(C)C 85750270 572795679 /nfs/dbraw/zinc/79/56/79/572795679.db2.gz ZDUGUSOQRAJIES-UHFFFAOYSA-N 0 3 185.311 2.476 10 0 AEAEHN CCC(CC)(C(=O)C1CC1)N(C)C 85750253 572795689 /nfs/dbraw/zinc/79/56/89/572795689.db2.gz JAJVHYJVIWYMDA-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)C(CC)(CC)N(C)C 85750240 572795747 /nfs/dbraw/zinc/79/57/47/572795747.db2.gz PLMMQYCNTDTAAM-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN CC(C)SCCNC/C=C\Cl 307936660 572796260 /nfs/dbraw/zinc/79/62/60/572796260.db2.gz YMKMATHSKQPBHR-ARJAWSKDSA-N 0 3 193.743 2.470 10 0 AEAEHN Cc1cc(Cl)c2c(c1)COC[C@H]2N 713756208 572796488 /nfs/dbraw/zinc/79/64/88/572796488.db2.gz ULSJTMNGDMZXIV-SECBINFHSA-N 0 3 197.665 2.178 10 0 AEAEHN CC(C)SCCNC/C=C/Cl 307936661 572796576 /nfs/dbraw/zinc/79/65/76/572796576.db2.gz YMKMATHSKQPBHR-ONEGZZNKSA-N 0 3 193.743 2.470 10 0 AEAEHN C[C@@H](C[NH3+])c1ccc([O-])c(Cl)c1 75067892 572798266 /nfs/dbraw/zinc/79/82/66/572798266.db2.gz GTARPVAUBLECEK-LURJTMIESA-N 0 3 185.654 2.108 10 0 AEAEHN CC[C@H](C)[C@@H](C)N1CCC(=O)[C@H](C)C1 49693807 572798949 /nfs/dbraw/zinc/79/89/49/572798949.db2.gz YQQLCBUKYOHHRA-HBNTYKKESA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@H](C(C)C)N1CCC(=O)[C@H](C)C1 49693825 572799503 /nfs/dbraw/zinc/79/95/03/572799503.db2.gz CSSQBWTXQUKEMU-GHMZBOCLSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H](C[NH3+])c1ccc([O-])c(Cl)c1 75067893 572799857 /nfs/dbraw/zinc/79/98/57/572799857.db2.gz GTARPVAUBLECEK-ZCFIWIBFSA-N 0 3 185.654 2.108 10 0 AEAEHN CC(C)CCOc1cnccc1N 308132313 572799929 /nfs/dbraw/zinc/79/99/29/572799929.db2.gz FTJCXQOSQRXUEO-UHFFFAOYSA-N 0 3 180.251 2.089 10 0 AEAEHN COc1cc2cc[nH]c2cc1[C@@H](C)N 75067975 572802592 /nfs/dbraw/zinc/80/25/92/572802592.db2.gz JSRMKJHXGYUXIS-SSDOTTSWSA-N 0 3 190.246 2.196 10 0 AEAEHN CC[C@@H](C(C)C)N1CCC(=O)[C@H](C)C1 49693824 572800033 /nfs/dbraw/zinc/80/00/33/572800033.db2.gz CSSQBWTXQUKEMU-MNOVXSKESA-N 0 3 197.322 2.332 10 0 AEAEHN CCCC(=O)C1(N(C)C)CCCC1 85751492 572800606 /nfs/dbraw/zinc/80/06/06/572800606.db2.gz KMUALNUYNLIHSO-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CN(C)C1(C(=O)CC2CC2)CCCC1 85751568 572800705 /nfs/dbraw/zinc/80/07/05/572800705.db2.gz WPKRKOIBDGJLHB-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H](C[NH3+])c1cccc(Cl)c1[O-] 75067896 572800837 /nfs/dbraw/zinc/80/08/37/572800837.db2.gz VNPPYNXHNRIJPI-LURJTMIESA-N 0 3 185.654 2.108 10 0 AEAEHN C[C@H](C[NH3+])c1cccc(Cl)c1[O-] 75067897 572800864 /nfs/dbraw/zinc/80/08/64/572800864.db2.gz VNPPYNXHNRIJPI-ZCFIWIBFSA-N 0 3 185.654 2.108 10 0 AEAEHN CCC(CC)N1CCC(=O)[C@@H](C)C1 49693583 572802697 /nfs/dbraw/zinc/80/26/97/572802697.db2.gz MIXUDOUUMLNRKI-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)(C)CCCCNC1COC1 308132380 572802719 /nfs/dbraw/zinc/80/27/19/572802719.db2.gz BTQVWWXTTPIVMO-UHFFFAOYSA-N 0 3 185.311 2.191 10 0 AEAEHN C[C@@H](N)c1n[nH]c2ccc(Cl)cc12 75068206 572801633 /nfs/dbraw/zinc/80/16/33/572801633.db2.gz PLPNGRWCEHGBGB-RXMQYKEDSA-N 0 3 195.653 2.236 10 0 AEAEHN CCC(C)(C)N1CCC(=O)[C@@H](C)C1 49693587 572801674 /nfs/dbraw/zinc/80/16/74/572801674.db2.gz TXLIQXKQABNACL-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(CC)N1CCC(=O)[C@H](C)C1 49693582 572801857 /nfs/dbraw/zinc/80/18/57/572801857.db2.gz MIXUDOUUMLNRKI-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN COc1cc2cc[nH]c2cc1[C@H](C)N 75067974 572803507 /nfs/dbraw/zinc/80/35/07/572803507.db2.gz JSRMKJHXGYUXIS-ZETCQYMHSA-N 0 3 190.246 2.196 10 0 AEAEHN CCN(CC)C1(C(C)=O)CCCC1 85752209 572802307 /nfs/dbraw/zinc/80/23/07/572802307.db2.gz NLZNDPSTKGIPNE-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@H](N)CC2=O 713757966 572802349 /nfs/dbraw/zinc/80/23/49/572802349.db2.gz AQMMKTUKQOBMEH-SSDOTTSWSA-N 0 3 195.649 2.235 10 0 AEAEHN Cn1ccc2c(Cl)c(CN)ccc21 75068139 572803674 /nfs/dbraw/zinc/80/36/74/572803674.db2.gz NKLIOSHPKNZPKF-UHFFFAOYSA-N 0 3 194.665 2.290 10 0 AEAEHN C[C@H]1CC(C)(C)C[C@]12CNC[C@@H](C)O2 235345262 572802409 /nfs/dbraw/zinc/80/24/09/572802409.db2.gz GRQWDHWRAKAABC-UMNHJUIQSA-N 0 3 197.322 2.190 10 0 AEAEHN CC[C@H](C)[C@H](C)N1CCC(=O)[C@H](C)C1 49693809 572802977 /nfs/dbraw/zinc/80/29/77/572802977.db2.gz YQQLCBUKYOHHRA-AXFHLTTASA-N 0 3 197.322 2.332 10 0 AEAEHN CS[C@@H]1CCC[C@H]1N(C)CCF 307940410 572803122 /nfs/dbraw/zinc/80/31/22/572803122.db2.gz WMTRUVPNLOOSSC-RKDXNWHRSA-N 0 3 191.315 2.172 10 0 AEAEHN CN(C)c1[nH]c(N)cc1CC(C)(C)C 257568485 572803264 /nfs/dbraw/zinc/80/32/64/572803264.db2.gz GWTXGIUHZSQPAF-UHFFFAOYSA-N 0 3 195.310 2.252 10 0 AEAEHN C[C@H](CC[NH3+])c1cccc(Cl)c1[O-] 75068376 572803265 /nfs/dbraw/zinc/80/32/65/572803265.db2.gz XZIJWQQCPVVRIT-SSDOTTSWSA-N 0 3 199.681 2.498 10 0 AEAEHN C[C@@H]1CNC[C@]2(CC(C)(C)C[C@H]2C)O1 235345293 572803279 /nfs/dbraw/zinc/80/32/79/572803279.db2.gz GRQWDHWRAKAABC-FOGDFJRCSA-N 0 3 197.322 2.190 10 0 AEAEHN CCN(CC)Cc1cc(C)oc1N 257583805 572805788 /nfs/dbraw/zinc/80/57/88/572805788.db2.gz JWSJJNQPPWVFOP-UHFFFAOYSA-N 0 3 182.267 2.012 10 0 AEAEHN CS[C@@H]1CCC[C@@H]1N(C)CCF 307940408 572803547 /nfs/dbraw/zinc/80/35/47/572803547.db2.gz WMTRUVPNLOOSSC-DTWKUNHWSA-N 0 3 191.315 2.172 10 0 AEAEHN CCC(C)(C)N1CCC(=O)[C@H](C)C1 49693586 572803552 /nfs/dbraw/zinc/80/35/52/572803552.db2.gz TXLIQXKQABNACL-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)CC(=O)C1(N(C)C)CCCC1 85751506 572803555 /nfs/dbraw/zinc/80/35/55/572803555.db2.gz OKHZFVUPFHSFGN-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CS[C@H]1CCC[C@H]1N(C)CCF 307940407 572803964 /nfs/dbraw/zinc/80/39/64/572803964.db2.gz WMTRUVPNLOOSSC-BDAKNGLRSA-N 0 3 191.315 2.172 10 0 AEAEHN CS[C@H]1CCC[C@@H]1N(C)CCF 307940409 572803976 /nfs/dbraw/zinc/80/39/76/572803976.db2.gz WMTRUVPNLOOSSC-IUCAKERBSA-N 0 3 191.315 2.172 10 0 AEAEHN COc1c(CN)cc(C)c(C)c1Cl 75068368 572804138 /nfs/dbraw/zinc/80/41/38/572804138.db2.gz NAZDTXCKLRFNHP-UHFFFAOYSA-N 0 3 199.681 2.424 10 0 AEAEHN CC(C)[C@H](C)N1CCC(=O)C[C@@H]1C 49710309 572804158 /nfs/dbraw/zinc/80/41/58/572804158.db2.gz MLERLFKZVYFSDW-UWVGGRQHSA-N 0 3 183.295 2.084 10 0 AEAEHN CC(C)([NH3+])Cc1cccc(Cl)c1[O-] 75068377 572804412 /nfs/dbraw/zinc/80/44/12/572804412.db2.gz BKJYDKFJMZKRNH-UHFFFAOYSA-N 0 3 199.681 2.325 10 0 AEAEHN CN(C)Cc1cc2cc(N)ccc2o1 118036912 572804549 /nfs/dbraw/zinc/80/45/49/572804549.db2.gz VMATWTQOJRGARC-UHFFFAOYSA-N 0 3 190.246 2.077 10 0 AEAEHN CC[C@H](C)[C@H](C)N1CCC(=O)C[C@@H]1C 49713310 572804767 /nfs/dbraw/zinc/80/47/67/572804767.db2.gz BEVKVUUVJICXDF-DCAQKATOSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(CC)N1CCC(=O)C[C@@H]1C 49709090 572804779 /nfs/dbraw/zinc/80/47/79/572804779.db2.gz JNXUBCYQKVHAGO-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN C[C@@H](CC[NH3+])c1cccc(Cl)c1[O-] 75068375 572804825 /nfs/dbraw/zinc/80/48/25/572804825.db2.gz XZIJWQQCPVVRIT-ZETCQYMHSA-N 0 3 199.681 2.498 10 0 AEAEHN C[C@H](N)c1n[nH]c2ccc(Cl)cc12 75068205 572804879 /nfs/dbraw/zinc/80/48/79/572804879.db2.gz PLPNGRWCEHGBGB-YFKPBYRVSA-N 0 3 195.653 2.236 10 0 AEAEHN CC[C@H](C(C)C)N1CCC(=O)C[C@@H]1C 49713468 572804948 /nfs/dbraw/zinc/80/49/48/572804948.db2.gz FHFHXCLQLXZVOP-CMPLNLGQSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(C)C[C@H](C)N1CCC(=O)C[C@H]1C 49710774 572805073 /nfs/dbraw/zinc/80/50/73/572805073.db2.gz UOIRHWIDGABSES-WDEREUQCSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(CC)N1CCC(=O)C[C@H]1C 49709091 572805091 /nfs/dbraw/zinc/80/50/91/572805091.db2.gz JNXUBCYQKVHAGO-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CCN(CC)Cc1coc(N)c1C 257583377 572805094 /nfs/dbraw/zinc/80/50/94/572805094.db2.gz GCBNBPKCOFQVFV-UHFFFAOYSA-N 0 3 182.267 2.012 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@@H](N)CC2=O 713757967 572805114 /nfs/dbraw/zinc/80/51/14/572805114.db2.gz AQMMKTUKQOBMEH-ZETCQYMHSA-N 0 3 195.649 2.235 10 0 AEAEHN CC[C@@H](C(C)C)N1CCC(=O)C[C@@H]1C 49713467 572805275 /nfs/dbraw/zinc/80/52/75/572805275.db2.gz FHFHXCLQLXZVOP-JQWIXIFHSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@H]1CC(=O)CCN1C1CCCCC1 49709179 572805384 /nfs/dbraw/zinc/80/53/84/572805384.db2.gz BLOUGOJVDLTGGD-JTQLQIEISA-N 0 3 195.306 2.373 10 0 AEAEHN CC(C)C[C@H](C)N1CCC(=O)C[C@@H]1C 49710775 572805798 /nfs/dbraw/zinc/80/57/98/572805798.db2.gz UOIRHWIDGABSES-QWRGUYRKSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H]1CC(=O)CCN1CC1CCCC1 49710675 572805956 /nfs/dbraw/zinc/80/59/56/572805956.db2.gz ALVVBJLPBLBYHQ-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC(C)(C)N1CCC(=O)C[C@H]1C 49709150 572806048 /nfs/dbraw/zinc/80/60/48/572806048.db2.gz HJVLGAYJCRUTTE-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC(C)[C@H](C)N1CCC(=O)C[C@H]1C 49710306 572806968 /nfs/dbraw/zinc/80/69/68/572806968.db2.gz MLERLFKZVYFSDW-ZJUUUORDSA-N 0 3 183.295 2.084 10 0 AEAEHN C[C@@H]1CC(=O)CCN1C1CCCCC1 49709178 572807283 /nfs/dbraw/zinc/80/72/83/572807283.db2.gz BLOUGOJVDLTGGD-SNVBAGLBSA-N 0 3 195.306 2.373 10 0 AEAEHN C[C@H]1CC(=O)CCN1CC1CCCC1 49710676 572807354 /nfs/dbraw/zinc/80/73/54/572807354.db2.gz ALVVBJLPBLBYHQ-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1cc([C@H](C)N)c(Cl)o1 75085203 572807409 /nfs/dbraw/zinc/80/74/09/572807409.db2.gz GJRAZZYYYSOIPL-YFKPBYRVSA-N 0 3 159.616 2.261 10 0 AEAEHN CC[C@H](C)[C@@H](C)N1CCC(=O)C[C@@H]1C 49713308 572807450 /nfs/dbraw/zinc/80/74/50/572807450.db2.gz BEVKVUUVJICXDF-GARJFASQSA-N 0 3 197.322 2.474 10 0 AEAEHN NC1(c2ccoc2Cl)CCC1 75085563 572807654 /nfs/dbraw/zinc/80/76/54/572807654.db2.gz UDAPJNRCSKIWCT-UHFFFAOYSA-N 0 3 171.627 2.271 10 0 AEAEHN CCC(C)(C)N1CCC(=O)C[C@@H]1C 49709149 572808251 /nfs/dbraw/zinc/80/82/51/572808251.db2.gz HJVLGAYJCRUTTE-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CC(C)SC[C@@H](N)c1ccc[nH]1 307942131 572808438 /nfs/dbraw/zinc/80/84/38/572808438.db2.gz CSPKJVFYZPEFAW-MRVPVSSYSA-N 0 3 184.308 2.156 10 0 AEAEHN Cc1oc(Cl)cc1[C@H](C)N 75085206 572808464 /nfs/dbraw/zinc/80/84/64/572808464.db2.gz MZEPLABNOXREQA-BYPYZUCNSA-N 0 3 159.616 2.261 10 0 AEAEHN Cc1cc([C@@H](C)N)c(Cl)o1 75085201 572808483 /nfs/dbraw/zinc/80/84/83/572808483.db2.gz GJRAZZYYYSOIPL-RXMQYKEDSA-N 0 3 159.616 2.261 10 0 AEAEHN NC1(c2ccc(Cl)o2)CCC1 75085566 572808694 /nfs/dbraw/zinc/80/86/94/572808694.db2.gz FUOYZMHIKLIHKK-UHFFFAOYSA-N 0 3 171.627 2.271 10 0 AEAEHN CC(C)SC[C@H](N)c1ccc[nH]1 307942133 572808841 /nfs/dbraw/zinc/80/88/41/572808841.db2.gz CSPKJVFYZPEFAW-QMMMGPOBSA-N 0 3 184.308 2.156 10 0 AEAEHN Cc1oc(Cl)cc1C1(N)CC1 75085568 572808950 /nfs/dbraw/zinc/80/89/50/572808950.db2.gz YYYIDAFKTAXKDG-UHFFFAOYSA-N 0 3 171.627 2.189 10 0 AEAEHN Cc1cc(C(C)(C)N)c(Cl)o1 75085666 572809520 /nfs/dbraw/zinc/80/95/20/572809520.db2.gz AMKWPCHCKASZHX-UHFFFAOYSA-N 0 3 173.643 2.435 10 0 AEAEHN Cc1oc(Cl)cc1[C@@H](C)N 75085205 572809569 /nfs/dbraw/zinc/80/95/69/572809569.db2.gz MZEPLABNOXREQA-SCSAIBSYSA-N 0 3 159.616 2.261 10 0 AEAEHN CC(C)(N)c1ccoc1Cl 75085191 572809947 /nfs/dbraw/zinc/80/99/47/572809947.db2.gz GRBDYJAMVBLZBA-UHFFFAOYSA-N 0 3 159.616 2.127 10 0 AEAEHN Cn1ccc2cc(CN)c(Cl)cc21 75122095 572811631 /nfs/dbraw/zinc/81/16/31/572811631.db2.gz XSGRWFJCHMATTR-UHFFFAOYSA-N 0 3 194.665 2.290 10 0 AEAEHN CCn1ccnc1NCCCCF 308133355 572811847 /nfs/dbraw/zinc/81/18/47/572811847.db2.gz LPRBCDNLIRWZAP-UHFFFAOYSA-N 0 3 185.246 2.065 10 0 AEAEHN Cl/C=C\CN1CC[C@H](C2CC2)C1 308139551 572811878 /nfs/dbraw/zinc/81/18/78/572811878.db2.gz GLLDWZGNQZOJJT-RIXFDMRVSA-N 0 3 185.698 2.471 10 0 AEAEHN Cl/C=C\CN1CC[C@@H](C2CC2)C1 308139550 572812190 /nfs/dbraw/zinc/81/21/90/572812190.db2.gz GLLDWZGNQZOJJT-LMQQOLRNSA-N 0 3 185.698 2.471 10 0 AEAEHN CC[C@H](C)CC(=O)C1(NC)CCC1 308133354 572812338 /nfs/dbraw/zinc/81/23/38/572812338.db2.gz LPMFMTKVGGWNLL-VIFPVBQESA-N 0 3 183.295 2.134 10 0 AEAEHN CCc1noc(Cl)c1C(C)(C)N 75086529 572812465 /nfs/dbraw/zinc/81/24/65/572812465.db2.gz NBTWYPZJEIKBMP-UHFFFAOYSA-N 0 3 188.658 2.084 10 0 AEAEHN CC[C@H](F)CN[C@H]1CSC[C@H]1C 307944955 572812491 /nfs/dbraw/zinc/81/24/91/572812491.db2.gz HQHULRSSTYFFJM-VGMNWLOBSA-N 0 3 191.315 2.076 10 0 AEAEHN CCN(CC)CCC(=O)c1ccoc1 85792559 572812607 /nfs/dbraw/zinc/81/26/07/572812607.db2.gz ZHVRKOADLMQWAO-UHFFFAOYSA-N 0 3 195.262 2.194 10 0 AEAEHN CC[C@H](F)CN[C@@H]1CSC[C@H]1C 307944954 572812613 /nfs/dbraw/zinc/81/26/13/572812613.db2.gz HQHULRSSTYFFJM-HRDYMLBCSA-N 0 3 191.315 2.076 10 0 AEAEHN NC1(c2cccc(Cl)n2)CCCC1 75087298 572812896 /nfs/dbraw/zinc/81/28/96/572812896.db2.gz NISGCOZZYKDQOJ-UHFFFAOYSA-N 0 3 196.681 2.463 10 0 AEAEHN C/C=C\CN[C@H](C)CC(F)(F)F 307945131 572813212 /nfs/dbraw/zinc/81/32/12/572813212.db2.gz XXGXFNZGOMCBIJ-KFOINNEUSA-N 0 3 181.201 2.493 10 0 AEAEHN C/C=C\CN[C@@H](C)CC(F)(F)F 307945129 572813305 /nfs/dbraw/zinc/81/33/05/572813305.db2.gz XXGXFNZGOMCBIJ-AVALRIAPSA-N 0 3 181.201 2.493 10 0 AEAEHN CC[C@H](F)CN[C@@H]1CSC[C@@H]1C 307944956 572814217 /nfs/dbraw/zinc/81/42/17/572814217.db2.gz HQHULRSSTYFFJM-XHNCKOQMSA-N 0 3 191.315 2.076 10 0 AEAEHN CCN(CC)CCC(=O)c1ccco1 85792445 572814773 /nfs/dbraw/zinc/81/47/73/572814773.db2.gz DBPRRIJMVPULGK-UHFFFAOYSA-N 0 3 195.262 2.194 10 0 AEAEHN CN1CCC(Nc2cccs2)CC1 75123285 572815135 /nfs/dbraw/zinc/81/51/35/572815135.db2.gz JPWDTOLSKYPWMH-UHFFFAOYSA-N 0 3 196.319 2.254 10 0 AEAEHN CN1CCC[C@@H](Nc2cccs2)C1 75123283 572815908 /nfs/dbraw/zinc/81/59/08/572815908.db2.gz SAAWOOWYWCYFKC-SECBINFHSA-N 0 3 196.319 2.254 10 0 AEAEHN CN1CCC[C@H](Nc2cccs2)C1 75123281 572815942 /nfs/dbraw/zinc/81/59/42/572815942.db2.gz SAAWOOWYWCYFKC-VIFPVBQESA-N 0 3 196.319 2.254 10 0 AEAEHN CC[C@](C)(N)C(=O)[C@@H](C)CC(C)C 308135927 572817577 /nfs/dbraw/zinc/81/75/77/572817577.db2.gz IEEMCQOLXUEXRO-ONGXEEELSA-N 0 3 185.311 2.365 10 0 AEAEHN CC[C@@](C)(N)C(=O)[C@@H](C)CC(C)C 308135923 572818143 /nfs/dbraw/zinc/81/81/43/572818143.db2.gz IEEMCQOLXUEXRO-GXSJLCMTSA-N 0 3 185.311 2.365 10 0 AEAEHN CC[C@](C)(N)C(=O)[C@H](C)CC(C)C 308135924 572819161 /nfs/dbraw/zinc/81/91/61/572819161.db2.gz IEEMCQOLXUEXRO-KOLCDFICSA-N 0 3 185.311 2.365 10 0 AEAEHN CC(C)[C@@H](C)N(C)Cc1cnoc1 308135464 572819487 /nfs/dbraw/zinc/81/94/87/572819487.db2.gz DZOFJSBHUSUIKU-SECBINFHSA-N 0 3 182.267 2.151 10 0 AEAEHN Cc1ccc([C@H](N)CC2CC2)o1 49844636 572820681 /nfs/dbraw/zinc/82/06/81/572820681.db2.gz KHBLACBQBRNLTH-SECBINFHSA-N 0 3 165.236 2.388 10 0 AEAEHN CCOc1c(C)cc(C)cc1CN 71463620 572821471 /nfs/dbraw/zinc/82/14/71/572821471.db2.gz MJUVZMYXHFKSRT-UHFFFAOYSA-N 0 3 179.263 2.161 10 0 AEAEHN Cc1ccc([C@@H](N)CC2CC2)o1 49844637 572821649 /nfs/dbraw/zinc/82/16/49/572821649.db2.gz KHBLACBQBRNLTH-VIFPVBQESA-N 0 3 165.236 2.388 10 0 AEAEHN CC1Oc2cc3c(cc2C1=O)CCC3 49851001 572821697 /nfs/dbraw/zinc/82/16/97/572821697.db2.gz GSJIIZXZZBFONA-ZETCQYMHSA-N 0 3 188.226 2.139 10 0 AEAEHN C[C@@H](CC(F)F)NCc1ccc[nH]1 308140504 572821704 /nfs/dbraw/zinc/82/17/04/572821704.db2.gz IDOXKFQWYKHWEG-ZETCQYMHSA-N 0 3 188.221 2.148 10 0 AEAEHN CCOc1c(C)ccc(C)c1CN 71457334 572821861 /nfs/dbraw/zinc/82/18/61/572821861.db2.gz OFFMPOOFGNNTJI-UHFFFAOYSA-N 0 3 179.263 2.161 10 0 AEAEHN C[C@H](CC(F)F)NCc1ccc[nH]1 308140502 572822115 /nfs/dbraw/zinc/82/21/15/572822115.db2.gz IDOXKFQWYKHWEG-SSDOTTSWSA-N 0 3 188.221 2.148 10 0 AEAEHN CC[C@@H]([NH3+])c1ccc([O-])cc1Cl 71463934 572822177 /nfs/dbraw/zinc/82/21/77/572822177.db2.gz PKZXLXZLQSARPK-SECBINFHSA-N 0 3 185.654 2.455 10 0 AEAEHN CC[C@H]([NH3+])c1ccc([O-])cc1Cl 71463933 572823944 /nfs/dbraw/zinc/82/39/44/572823944.db2.gz PKZXLXZLQSARPK-VIFPVBQESA-N 0 3 185.654 2.455 10 0 AEAEHN CN(C)[C@H]1CCNc2c(F)cccc21 71479886 572825443 /nfs/dbraw/zinc/82/54/43/572825443.db2.gz GRECRXYEDTXKHR-JTQLQIEISA-N 0 3 194.253 2.244 10 0 AEAEHN C[C@H]1NCCn2c1cc1ccccc12 71478736 572825486 /nfs/dbraw/zinc/82/54/86/572825486.db2.gz DDUINAJMBKHGDT-SECBINFHSA-N 0 3 186.258 2.306 10 0 AEAEHN C[C@@H]1NCCn2c1cc1ccccc12 71478738 572825666 /nfs/dbraw/zinc/82/56/66/572825666.db2.gz DDUINAJMBKHGDT-VIFPVBQESA-N 0 3 186.258 2.306 10 0 AEAEHN N[C@@H]1COCc2ccc(C(F)F)cc21 713761815 572825796 /nfs/dbraw/zinc/82/57/96/572825796.db2.gz YELZULIASQRFGA-SECBINFHSA-N 0 3 199.200 2.154 10 0 AEAEHN Cc1csc(N)c1[C@H](N)C1CC1 713760838 572825830 /nfs/dbraw/zinc/82/58/30/572825830.db2.gz RCPIVCORFXESDB-MRVPVSSYSA-N 0 3 182.292 2.049 10 0 AEAEHN CN(C)[C@H]1CCNc2ccc(F)cc21 71479994 572825916 /nfs/dbraw/zinc/82/59/16/572825916.db2.gz HWPZRCMGVVWCLY-NSHDSACASA-N 0 3 194.253 2.244 10 0 AEAEHN CN(C)[C@@H]1CCNc2c(F)cccc21 71479885 572826183 /nfs/dbraw/zinc/82/61/83/572826183.db2.gz GRECRXYEDTXKHR-SNVBAGLBSA-N 0 3 194.253 2.244 10 0 AEAEHN CN(C)[C@@H]1CCNc2ccc(F)cc21 71479993 572826519 /nfs/dbraw/zinc/82/65/19/572826519.db2.gz HWPZRCMGVVWCLY-LLVKDONJSA-N 0 3 194.253 2.244 10 0 AEAEHN CC(C)Cc1ccc2c(c1)[C@H](N)CO2 713761724 572826887 /nfs/dbraw/zinc/82/68/87/572826887.db2.gz XHKVPSWQKHBTQF-LLVKDONJSA-N 0 3 191.274 2.277 10 0 AEAEHN Cc1cccc2c1OCC1(CC1)[C@H]2N 71489442 572827820 /nfs/dbraw/zinc/82/78/20/572827820.db2.gz OHHZDAPFJFVDTF-NSHDSACASA-N 0 3 189.258 2.167 10 0 AEAEHN CC(C)Cc1ccc2c(c1)[C@@H](N)CO2 713761726 572827463 /nfs/dbraw/zinc/82/74/63/572827463.db2.gz XHKVPSWQKHBTQF-NSHDSACASA-N 0 3 191.274 2.277 10 0 AEAEHN Cc1ccc2c(c1)[C@H](N)C1(CC1)CN2 71490000 572828171 /nfs/dbraw/zinc/82/81/71/572828171.db2.gz AZWYZFSJMQSDIN-NSHDSACASA-N 0 3 188.274 2.201 10 0 AEAEHN N[C@H]1COCc2ccc(C(F)F)cc21 713761820 572828398 /nfs/dbraw/zinc/82/83/98/572828398.db2.gz YELZULIASQRFGA-VIFPVBQESA-N 0 3 199.200 2.154 10 0 AEAEHN Cc1cccc2c1NCC1(CC1)[C@H]2N 71490032 572829223 /nfs/dbraw/zinc/82/92/23/572829223.db2.gz GWGIUUNUTPVWHE-NSHDSACASA-N 0 3 188.274 2.201 10 0 AEAEHN Cc1ccc2c(c1)[C@H](N)C1(CC1)CO2 71489411 572828945 /nfs/dbraw/zinc/82/89/45/572828945.db2.gz YPCXDLRCWRUKBZ-NSHDSACASA-N 0 3 189.258 2.167 10 0 AEAEHN Cc1cccc2c1NCC1(CC1)[C@@H]2N 71490030 572829875 /nfs/dbraw/zinc/82/98/75/572829875.db2.gz GWGIUUNUTPVWHE-LLVKDONJSA-N 0 3 188.274 2.201 10 0 AEAEHN Cc1noc(C2(N)CCCCC2)c1C 214776077 572830050 /nfs/dbraw/zinc/83/00/50/572830050.db2.gz IQWBJZYZRJIOOA-UHFFFAOYSA-N 0 3 194.278 2.410 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](N)C1(CC1)CN2 71490002 572830328 /nfs/dbraw/zinc/83/03/28/572830328.db2.gz AZWYZFSJMQSDIN-LLVKDONJSA-N 0 3 188.274 2.201 10 0 AEAEHN CC(C)CN[C@H](CF)c1ccncc1 107139509 572831126 /nfs/dbraw/zinc/83/11/26/572831126.db2.gz MWSQLUAHGQGUSJ-LLVKDONJSA-N 0 3 196.269 2.338 10 0 AEAEHN CNC(C)(C)c1ccccc1F 71496198 572831203 /nfs/dbraw/zinc/83/12/03/572831203.db2.gz BJRRUUPJRHUWHA-UHFFFAOYSA-N 0 3 167.227 2.280 10 0 AEAEHN CC[C@H](N)c1c(C)csc1N 713762958 572831729 /nfs/dbraw/zinc/83/17/29/572831729.db2.gz SWTFVLILUTVPTQ-LURJTMIESA-N 0 3 170.281 2.049 10 0 AEAEHN CC[C@@H](N)c1c(C)csc1N 713762959 572832366 /nfs/dbraw/zinc/83/23/66/572832366.db2.gz SWTFVLILUTVPTQ-ZCFIWIBFSA-N 0 3 170.281 2.049 10 0 AEAEHN CN1CCC[C@H]1c1ccc(F)c(N)c1 71494185 572833152 /nfs/dbraw/zinc/83/31/52/572833152.db2.gz WOUUDMSNYHSGMI-NSHDSACASA-N 0 3 194.253 2.175 10 0 AEAEHN CN1CCC[C@@H]1c1ccc(F)c(N)c1 71494184 572833374 /nfs/dbraw/zinc/83/33/74/572833374.db2.gz WOUUDMSNYHSGMI-LLVKDONJSA-N 0 3 194.253 2.175 10 0 AEAEHN N[C@H](c1ccc2cnccc2n1)C1CC1 238583977 572833375 /nfs/dbraw/zinc/83/33/75/572833375.db2.gz JNUZAJUCJWVLRZ-LBPRGKRZSA-N 0 3 199.257 2.040 10 0 AEAEHN N[C@H](c1ccc2ncccc2n1)C1CC1 238584033 572834479 /nfs/dbraw/zinc/83/44/79/572834479.db2.gz YIYOVFKVNCGCMJ-LBPRGKRZSA-N 0 3 199.257 2.040 10 0 AEAEHN N[C@H](c1nccc2ncccc12)C1CC1 238581998 572835212 /nfs/dbraw/zinc/83/52/12/572835212.db2.gz JIDYAOLJCDZREV-NSHDSACASA-N 0 3 199.257 2.040 10 0 AEAEHN Cc1ccccc1-c1nocc1CN 71500146 572835536 /nfs/dbraw/zinc/83/55/36/572835536.db2.gz HTWHQMFBAVIEBM-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN c1csc([C@H]2CNCCS2)c1 71499705 572835589 /nfs/dbraw/zinc/83/55/89/572835589.db2.gz STFXNIKSOLXDLM-MRVPVSSYSA-N 0 3 185.317 2.126 10 0 AEAEHN CNC(C)(C)c1ccc(F)cc1F 71499665 572837043 /nfs/dbraw/zinc/83/70/43/572837043.db2.gz GWBXIHBMEGWYKQ-UHFFFAOYSA-N 0 3 185.217 2.419 10 0 AEAEHN Fc1ccsc1CNCC1CC1 307956891 572836266 /nfs/dbraw/zinc/83/62/66/572836266.db2.gz GMRHDANNAFMIFW-UHFFFAOYSA-N 0 3 185.267 2.387 10 0 AEAEHN Cc1cccc(-c2nocc2CN)c1 71500147 572836373 /nfs/dbraw/zinc/83/63/73/572836373.db2.gz BHOZFORXYVRHNE-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN c1csc([C@@H]2CNCCS2)c1 71499703 572836664 /nfs/dbraw/zinc/83/66/64/572836664.db2.gz STFXNIKSOLXDLM-QMMMGPOBSA-N 0 3 185.317 2.126 10 0 AEAEHN CC(C)[C@H]1NC[C@H](c2ccccc2)O1 71505781 572836682 /nfs/dbraw/zinc/83/66/82/572836682.db2.gz DLODAMHCBTVKPW-NEPJUHHUSA-N 0 3 191.274 2.330 10 0 AEAEHN CNC(C)(C)c1ccccc1OC 71497882 572836791 /nfs/dbraw/zinc/83/67/91/572836791.db2.gz DRRXZBAZKHVINX-UHFFFAOYSA-N 0 3 179.263 2.150 10 0 AEAEHN CCCNc1ccc(F)cc1CN 71499091 572837031 /nfs/dbraw/zinc/83/70/31/572837031.db2.gz CJWLLXLRPZJFMK-UHFFFAOYSA-N 0 3 182.242 2.106 10 0 AEAEHN CC(C)[C@@H]1NC[C@H](c2ccccc2)O1 71505780 572837643 /nfs/dbraw/zinc/83/76/43/572837643.db2.gz DLODAMHCBTVKPW-VXGBXAGGSA-N 0 3 191.274 2.330 10 0 AEAEHN CNC(C)(C)c1cc(F)ccc1F 71499656 572838436 /nfs/dbraw/zinc/83/84/36/572838436.db2.gz PXPDVBLJYAJMLY-UHFFFAOYSA-N 0 3 185.217 2.419 10 0 AEAEHN CC1(C)NC[C@H](c2cccs2)O1 71499396 572838676 /nfs/dbraw/zinc/83/86/76/572838676.db2.gz VFXYOVMPHZCCJZ-SSDOTTSWSA-N 0 3 183.276 2.145 10 0 AEAEHN Cc1ccccc1[C@H]1NCC(C)(C)O1 71505791 572839014 /nfs/dbraw/zinc/83/90/14/572839014.db2.gz DYQRESJECYBIDT-NSHDSACASA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1cccc([C@H]2NCC(C)(C)O2)c1 71505797 572839147 /nfs/dbraw/zinc/83/91/47/572839147.db2.gz ODFVNFODNWTSBF-NSHDSACASA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1ccc([C@@H]2NCC(C)(C)O2)cc1 71505802 572839494 /nfs/dbraw/zinc/83/94/94/572839494.db2.gz NFYPCFRHGYMDBL-LLVKDONJSA-N 0 3 191.274 2.392 10 0 AEAEHN CCC[C@H](C)Oc1cnccc1N 308148681 572840041 /nfs/dbraw/zinc/84/00/41/572840041.db2.gz PMESFPBNEUCAOW-QMMMGPOBSA-N 0 3 180.251 2.231 10 0 AEAEHN CC1(C)NC[C@H](c2ccccc2F)O1 71507009 572840159 /nfs/dbraw/zinc/84/01/59/572840159.db2.gz YSZSUATWDOGXQL-SNVBAGLBSA-N 0 3 195.237 2.223 10 0 AEAEHN CC1(C)NC[C@@H](c2cccc(F)c2)O1 71507022 572840240 /nfs/dbraw/zinc/84/02/40/572840240.db2.gz WTSMOBPNXUMJOJ-JTQLQIEISA-N 0 3 195.237 2.223 10 0 AEAEHN CCNCc1ncoc1-c1ccoc1 85940621 572840280 /nfs/dbraw/zinc/84/02/80/572840280.db2.gz FWTCLJQREIRXES-UHFFFAOYSA-N 0 3 192.218 2.044 10 0 AEAEHN CC(C)[C@H]1NC[C@@H](c2ccccc2)O1 71505783 572840381 /nfs/dbraw/zinc/84/03/81/572840381.db2.gz DLODAMHCBTVKPW-RYUDHWBXSA-N 0 3 191.274 2.330 10 0 AEAEHN CC(C)[C@@H]1NC[C@@H](c2ccccc2)O1 71505782 572840461 /nfs/dbraw/zinc/84/04/61/572840461.db2.gz DLODAMHCBTVKPW-NWDGAFQWSA-N 0 3 191.274 2.330 10 0 AEAEHN CC1(C)NC[C@H](c2cccc(F)c2)O1 71507021 572840656 /nfs/dbraw/zinc/84/06/56/572840656.db2.gz WTSMOBPNXUMJOJ-SNVBAGLBSA-N 0 3 195.237 2.223 10 0 AEAEHN CNC(C)(C)c1cc(F)ccc1OC 71507511 572840769 /nfs/dbraw/zinc/84/07/69/572840769.db2.gz SYXLQXWSQBIMST-UHFFFAOYSA-N 0 3 197.253 2.289 10 0 AEAEHN CC(C)c1ccc([C@@H]2CNCO2)cc1 71505819 572840942 /nfs/dbraw/zinc/84/09/42/572840942.db2.gz HUDDZSPDKXSMAW-LBPRGKRZSA-N 0 3 191.274 2.428 10 0 AEAEHN CCc1nc(CC(C)(C)C)[nH]c1CN 75407145 572841065 /nfs/dbraw/zinc/84/10/65/572841065.db2.gz AAUBOHFFFVZHJS-UHFFFAOYSA-N 0 3 195.310 2.019 10 0 AEAEHN Cc1ccc([C@H]2NCC(C)(C)O2)cc1 71505803 572841096 /nfs/dbraw/zinc/84/10/96/572841096.db2.gz NFYPCFRHGYMDBL-NSHDSACASA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1cccc([C@H]2CNC(C)(C)O2)c1 71505799 572841258 /nfs/dbraw/zinc/84/12/58/572841258.db2.gz DOLGJEYRRBPSQD-LLVKDONJSA-N 0 3 191.274 2.392 10 0 AEAEHN CC1(C)NC[C@@H](c2ccc(F)cc2)O1 71507016 572841307 /nfs/dbraw/zinc/84/13/07/572841307.db2.gz KGVDVIUBWLTIMZ-JTQLQIEISA-N 0 3 195.237 2.223 10 0 AEAEHN CNC(C)(C)c1cc(C)ccc1OC 71506444 572841342 /nfs/dbraw/zinc/84/13/42/572841342.db2.gz DOALCAFKULWKLR-UHFFFAOYSA-N 0 3 193.290 2.458 10 0 AEAEHN CCCc1ocnc1CNCC(C)C 85941877 572841573 /nfs/dbraw/zinc/84/15/73/572841573.db2.gz JYKAIZCZMOPGOG-UHFFFAOYSA-N 0 3 196.294 2.373 10 0 AEAEHN CCc1ccc(OC)c(C2(N)CC2)c1 71505913 572841641 /nfs/dbraw/zinc/84/16/41/572841641.db2.gz SNUIVRVRQHVBJR-UHFFFAOYSA-N 0 3 191.274 2.205 10 0 AEAEHN CC(C)c1ccc([C@H]2CNCO2)cc1 71505820 572841764 /nfs/dbraw/zinc/84/17/64/572841764.db2.gz HUDDZSPDKXSMAW-GFCCVEGCSA-N 0 3 191.274 2.428 10 0 AEAEHN CCC[C@@H](C)Oc1cnccc1N 308148680 572841775 /nfs/dbraw/zinc/84/17/75/572841775.db2.gz PMESFPBNEUCAOW-MRVPVSSYSA-N 0 3 180.251 2.231 10 0 AEAEHN Cc1cccc([C@@H]2CNC(C)(C)O2)c1 71505798 572841997 /nfs/dbraw/zinc/84/19/97/572841997.db2.gz DOLGJEYRRBPSQD-NSHDSACASA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1cccc([C@@H]2NCC(C)(C)O2)c1 71505796 572842056 /nfs/dbraw/zinc/84/20/56/572842056.db2.gz ODFVNFODNWTSBF-LLVKDONJSA-N 0 3 191.274 2.392 10 0 AEAEHN CCN(C1CC1)[C@@](C)(CC)C(C)=O 308150776 572842445 /nfs/dbraw/zinc/84/24/45/572842445.db2.gz QQZAEZTWQSODIV-NSHDSACASA-N 0 3 183.295 2.228 10 0 AEAEHN CCNCc1ncoc1-c1ccco1 85940639 572842931 /nfs/dbraw/zinc/84/29/31/572842931.db2.gz WOLWWZXLJIXRHU-UHFFFAOYSA-N 0 3 192.218 2.044 10 0 AEAEHN CCC[C@@H](COC)NC/C=C\Cl 307954648 572843186 /nfs/dbraw/zinc/84/31/86/572843186.db2.gz ZNAHTWRDPFPBFH-RNEXMXFGSA-N 0 3 191.702 2.144 10 0 AEAEHN CC(C)(C)c1cc([C@@H]2CCCN2)no1 107183759 572843247 /nfs/dbraw/zinc/84/32/47/572843247.db2.gz SLFLLOLBCKPFGV-QMMMGPOBSA-N 0 3 194.278 2.397 10 0 AEAEHN CC(C)CNCc1ncoc1C1CC1 85941905 572843252 /nfs/dbraw/zinc/84/32/52/572843252.db2.gz CCPNXMADYSUGTP-UHFFFAOYSA-N 0 3 194.278 2.298 10 0 AEAEHN CC(C)c1nc(C(C)(C)C)c(CN)[nH]1 75407096 572843315 /nfs/dbraw/zinc/84/33/15/572843315.db2.gz GFQVLKLXWVXTCG-UHFFFAOYSA-N 0 3 195.310 2.289 10 0 AEAEHN CC(C)c1nc(C(C)C)c(CN)[nH]1 75407194 572843452 /nfs/dbraw/zinc/84/34/52/572843452.db2.gz YTXODGNWJUFLNC-UHFFFAOYSA-N 0 3 181.283 2.115 10 0 AEAEHN CCC[C@H](COC)NC/C=C\Cl 307954649 572843490 /nfs/dbraw/zinc/84/34/90/572843490.db2.gz ZNAHTWRDPFPBFH-XTULLQBASA-N 0 3 191.702 2.144 10 0 AEAEHN CC(C)Cc1nc(C(C)C)[nH]c1CN 75407242 572844208 /nfs/dbraw/zinc/84/42/08/572844208.db2.gz YIEYPXAJWDVPLJ-UHFFFAOYSA-N 0 3 195.310 2.190 10 0 AEAEHN CCN(C1CC1)[C@](C)(CC)C(C)=O 308150775 572844434 /nfs/dbraw/zinc/84/44/34/572844434.db2.gz QQZAEZTWQSODIV-LLVKDONJSA-N 0 3 183.295 2.228 10 0 AEAEHN CN[C@@H](C=C(C)C)CC(F)(F)F 86027821 572845391 /nfs/dbraw/zinc/84/53/91/572845391.db2.gz YTALTXOFTOAIKX-ZETCQYMHSA-N 0 3 181.201 2.493 10 0 AEAEHN C/C=C/C=C/CN(C)CCSC 308152977 572845463 /nfs/dbraw/zinc/84/54/63/572845463.db2.gz NKXUHEICEYQHAZ-YTXTXJHMSA-N 0 3 185.336 2.414 10 0 AEAEHN C[C@@H](CN(C)C1CC1)C(F)(F)F 307959239 572845695 /nfs/dbraw/zinc/84/56/95/572845695.db2.gz UTUKIMVLXQEDBI-LURJTMIESA-N 0 3 181.201 2.279 10 0 AEAEHN N[C@@H]1COc2cccc(C(F)F)c21 713768333 572845702 /nfs/dbraw/zinc/84/57/02/572845702.db2.gz SEWGHVJWFPNVJW-ZCFIWIBFSA-N 0 3 185.173 2.016 10 0 AEAEHN N[C@H]1COc2cccc(C(F)F)c21 713768330 572846155 /nfs/dbraw/zinc/84/61/55/572846155.db2.gz SEWGHVJWFPNVJW-LURJTMIESA-N 0 3 185.173 2.016 10 0 AEAEHN Cc1csc(N)c1[C@@H](N)C1CCC1 713768356 572846244 /nfs/dbraw/zinc/84/62/44/572846244.db2.gz SMBWPTCQUZHZPO-VIFPVBQESA-N 0 3 196.319 2.439 10 0 AEAEHN CCCCCOc1cnccc1N 308152932 572846379 /nfs/dbraw/zinc/84/63/79/572846379.db2.gz RVMRPTVAZIBKHO-UHFFFAOYSA-N 0 3 180.251 2.233 10 0 AEAEHN C[C@H](CN(C)C1CC1)C(F)(F)F 307959241 572846516 /nfs/dbraw/zinc/84/65/16/572846516.db2.gz UTUKIMVLXQEDBI-ZCFIWIBFSA-N 0 3 181.201 2.279 10 0 AEAEHN CN[C@H](C=C(C)C)CC(F)(F)F 86027823 572846711 /nfs/dbraw/zinc/84/67/11/572846711.db2.gz YTALTXOFTOAIKX-SSDOTTSWSA-N 0 3 181.201 2.493 10 0 AEAEHN Cc1csc(N)c1[C@H](N)C1CCC1 713768354 572846726 /nfs/dbraw/zinc/84/67/26/572846726.db2.gz SMBWPTCQUZHZPO-SECBINFHSA-N 0 3 196.319 2.439 10 0 AEAEHN C/C=C/C=C\CN(C)CCSC 308152976 572847060 /nfs/dbraw/zinc/84/70/60/572847060.db2.gz NKXUHEICEYQHAZ-DEQVHDEQSA-N 0 3 185.336 2.414 10 0 AEAEHN CCN[C@H](C=C(C)C)c1cnn(C)c1 86057109 572848642 /nfs/dbraw/zinc/84/86/42/572848642.db2.gz AXYVJICUKALJII-LLVKDONJSA-N 0 3 193.294 2.037 10 0 AEAEHN CCN[C@@H](C=C(C)C)c1cnn(C)c1 86057108 572849797 /nfs/dbraw/zinc/84/97/97/572849797.db2.gz AXYVJICUKALJII-NSHDSACASA-N 0 3 193.294 2.037 10 0 AEAEHN CSCCCN1CC[C@@](C)(F)C1 308144848 572850121 /nfs/dbraw/zinc/85/01/21/572850121.db2.gz JIVDCHJETUXBKQ-SECBINFHSA-N 0 3 191.315 2.173 10 0 AEAEHN CC(C)=C[C@@H](N)COc1ccccc1 86029720 572850195 /nfs/dbraw/zinc/85/01/95/572850195.db2.gz GURDYJSYLSDDGL-LLVKDONJSA-N 0 3 191.274 2.359 10 0 AEAEHN CSCCCN1CC[C@](C)(F)C1 308144849 572850994 /nfs/dbraw/zinc/85/09/94/572850994.db2.gz JIVDCHJETUXBKQ-VIFPVBQESA-N 0 3 191.315 2.173 10 0 AEAEHN CSc1cc2c(cc1C)[C@@H](N)CO2 713770017 572851650 /nfs/dbraw/zinc/85/16/50/572851650.db2.gz MZOXEJLTZMPFKS-QMMMGPOBSA-N 0 3 195.287 2.109 10 0 AEAEHN Cc1ccc2c3c(cnc2c1)CNCC3 77259698 572851691 /nfs/dbraw/zinc/85/16/91/572851691.db2.gz KMYBWLAYFZXLPV-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN COc1cc(C)cc(C)c1[C@@H](F)CN 234879927 572852131 /nfs/dbraw/zinc/85/21/31/572852131.db2.gz MSMIRWWRLMXBLF-VIFPVBQESA-N 0 3 197.253 2.281 10 0 AEAEHN Cc1ccc2nc3c(cc2c1)CCNC3 77259610 572852132 /nfs/dbraw/zinc/85/21/32/572852132.db2.gz AMDLUBJHTAWMEX-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN CSc1cc2c(cc1C)[C@H](N)CO2 713770014 572852201 /nfs/dbraw/zinc/85/22/01/572852201.db2.gz MZOXEJLTZMPFKS-MRVPVSSYSA-N 0 3 195.287 2.109 10 0 AEAEHN CCSC[C@H](NC)c1ccc[nH]1 307960577 572852521 /nfs/dbraw/zinc/85/25/21/572852521.db2.gz KPTADGMJTMHTQP-VIFPVBQESA-N 0 3 184.308 2.028 10 0 AEAEHN Nc1cc(CN2CCCCCC2)co1 257584209 572852553 /nfs/dbraw/zinc/85/25/53/572852553.db2.gz DJNKVSBMPQZFAQ-UHFFFAOYSA-N 0 3 194.278 2.238 10 0 AEAEHN Cc1ccc2cc3c(nc2c1)CNCC3 77259620 572852641 /nfs/dbraw/zinc/85/26/41/572852641.db2.gz ALVXKHOMTXKQPL-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN CCSC[C@@H](NC)c1ccc[nH]1 307960576 572853336 /nfs/dbraw/zinc/85/33/36/572853336.db2.gz KPTADGMJTMHTQP-SECBINFHSA-N 0 3 184.308 2.028 10 0 AEAEHN Cc1ccc2cc3c(nc2c1)CCNC3 77259587 572853555 /nfs/dbraw/zinc/85/35/55/572853555.db2.gz RFXKVMOJAHLTCG-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN Cc1ccc2ncc3c(c2c1)CCNC3 77259682 572853632 /nfs/dbraw/zinc/85/36/32/572853632.db2.gz BHYHJGLLZCYFHH-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN Cc1cccc2cc3c(nc12)CCNC3 77259583 572853666 /nfs/dbraw/zinc/85/36/66/572853666.db2.gz NKFFJEXNFRGZNB-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN Cc1cccc2c3c(cnc12)CNCC3 77259690 572854003 /nfs/dbraw/zinc/85/40/03/572854003.db2.gz XHSAGQVPBHYEKL-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN CCN[C@@H](c1ccoc1)C(C)(C)OC 86074383 572854056 /nfs/dbraw/zinc/85/40/56/572854056.db2.gz AJMRPJWALKONEI-JTQLQIEISA-N 0 3 197.278 2.355 10 0 AEAEHN Cc1cccc2cc3c(nc12)CNCC3 77259615 572854129 /nfs/dbraw/zinc/85/41/29/572854129.db2.gz FMAYXFNZDPFRJR-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN Cc1c(N)coc1CN1CCCCC1 257584106 572854140 /nfs/dbraw/zinc/85/41/40/572854140.db2.gz ADZRHAFNUZGFBK-UHFFFAOYSA-N 0 3 194.278 2.156 10 0 AEAEHN Cc1ccc2nc3c(cc2c1)CNCC3 77259578 572854142 /nfs/dbraw/zinc/85/41/42/572854142.db2.gz NUIPRHJLRJYGJQ-UHFFFAOYSA-N 0 3 198.269 2.189 10 0 AEAEHN CN(C)CCCc1cc(C=O)cs1 75468785 572854805 /nfs/dbraw/zinc/85/48/05/572854805.db2.gz CBGFYSNEPASAQK-UHFFFAOYSA-N 0 3 197.303 2.055 10 0 AEAEHN CN(C)CCCc1ccc(C=O)s1 75468460 572855338 /nfs/dbraw/zinc/85/53/38/572855338.db2.gz IIMJMWOIUWGTRO-UHFFFAOYSA-N 0 3 197.303 2.055 10 0 AEAEHN CCN[C@H](c1ccoc1)C(C)(C)OC 86074386 572855689 /nfs/dbraw/zinc/85/56/89/572855689.db2.gz AJMRPJWALKONEI-SNVBAGLBSA-N 0 3 197.278 2.355 10 0 AEAEHN CC(C)C[C@H](O)c1ccc(CN)s1 75468495 572856083 /nfs/dbraw/zinc/85/60/83/572856083.db2.gz KLJZSAAIRHGAQT-VIFPVBQESA-N 0 3 199.319 2.286 10 0 AEAEHN CC(C)C[C@@H](O)c1ccc(CN)s1 75468500 572856738 /nfs/dbraw/zinc/85/67/38/572856738.db2.gz KLJZSAAIRHGAQT-SECBINFHSA-N 0 3 199.319 2.286 10 0 AEAEHN CCN(CC)Cc1oc(N)cc1C 257584353 572857368 /nfs/dbraw/zinc/85/73/68/572857368.db2.gz YEZRIKPJRZPICT-UHFFFAOYSA-N 0 3 182.267 2.012 10 0 AEAEHN [NH3+]C1(c2ccc([O-])c3ccccc23)CC1 238589386 572857758 /nfs/dbraw/zinc/85/77/58/572857758.db2.gz MCZWBJWMHJUGEG-UHFFFAOYSA-N 0 3 199.253 2.493 10 0 AEAEHN CNC1(C(=O)CCC(C)C)CCC1 308147366 572858343 /nfs/dbraw/zinc/85/83/43/572858343.db2.gz ZVWPUSIVFABWJV-UHFFFAOYSA-N 0 3 183.295 2.134 10 0 AEAEHN CCc1csc([C@@H](N)C2CC2)n1 50181957 572864045 /nfs/dbraw/zinc/86/40/45/572864045.db2.gz JWMJTAFQRZQCPU-QMMMGPOBSA-N 0 3 182.292 2.115 10 0 AEAEHN NCCSC(=S)c1ccccc1 238594908 572859663 /nfs/dbraw/zinc/85/96/63/572859663.db2.gz ZJNJEPYMLDAYTL-UHFFFAOYSA-N 0 3 197.328 2.054 10 0 AEAEHN CCCc1cc(N)c(N(CC)CC)[nH]1 75553559 572860986 /nfs/dbraw/zinc/86/09/86/572860986.db2.gz VIDLWMOKVUSNBJ-UHFFFAOYSA-N 0 3 195.310 2.396 10 0 AEAEHN CCc1cc(N)c(N(CC)CC)[nH]1 75553551 572861111 /nfs/dbraw/zinc/86/11/11/572861111.db2.gz MAIZBMGNSOGTRP-UHFFFAOYSA-N 0 3 181.283 2.006 10 0 AEAEHN CCCc1cc(N)c(N2CCCC2)[nH]1 75553431 572861136 /nfs/dbraw/zinc/86/11/36/572861136.db2.gz YPCAZKSLPXHTKJ-UHFFFAOYSA-N 0 3 193.294 2.150 10 0 AEAEHN Cc1ccoc1[C@@]1(N)C[C@@H]2C[C@@H]2C1 257589759 572864469 /nfs/dbraw/zinc/86/44/69/572864469.db2.gz WSLRJTCLERTGAL-JZYVYDRUSA-N 0 3 177.247 2.172 10 0 AEAEHN CCc1cc(N)c(N2CCCCC2)[nH]1 75553362 572861575 /nfs/dbraw/zinc/86/15/75/572861575.db2.gz RILGKYMOSCOPDR-UHFFFAOYSA-N 0 3 193.294 2.150 10 0 AEAEHN Cc1cc(N)c(N2CCCCCC2)[nH]1 75553539 572861989 /nfs/dbraw/zinc/86/19/89/572861989.db2.gz XJJLDPNPXGWKEG-UHFFFAOYSA-N 0 3 193.294 2.286 10 0 AEAEHN Cc1c(CN2CCCCC2)coc1N 257586383 572863571 /nfs/dbraw/zinc/86/35/71/572863571.db2.gz YTZJXDBYOJYUGZ-UHFFFAOYSA-N 0 3 194.278 2.156 10 0 AEAEHN Cc1ccc([C@@]2(N)C[C@@H]3C[C@@H]3C2)o1 257589544 572863611 /nfs/dbraw/zinc/86/36/11/572863611.db2.gz HDKUIBOUQREHKL-JZYVYDRUSA-N 0 3 177.247 2.172 10 0 AEAEHN CN[C@H](c1ccsc1)C(C)(C)OC 86073519 572863948 /nfs/dbraw/zinc/86/39/48/572863948.db2.gz HWCWWEYHBXNIMY-SECBINFHSA-N 0 3 199.319 2.434 10 0 AEAEHN CCCC(=O)CN(C)[C@@H](C)C1CC1 50184146 572864319 /nfs/dbraw/zinc/86/43/19/572864319.db2.gz NOCFZYQQPLNWLG-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CCN[C@@H](c1ccco1)C(C)(C)OC 86074313 572864374 /nfs/dbraw/zinc/86/43/74/572864374.db2.gz NSWCISWHBHXOBF-JTQLQIEISA-N 0 3 197.278 2.355 10 0 AEAEHN CCC(=O)CN1[C@@H](C)CCC[C@@H]1C 50179704 572864610 /nfs/dbraw/zinc/86/46/10/572864610.db2.gz YBTRFRCFHCYEGC-UWVGGRQHSA-N 0 3 183.295 2.228 10 0 AEAEHN CCN[C@H](c1ccco1)C(C)(C)OC 86074316 572864616 /nfs/dbraw/zinc/86/46/16/572864616.db2.gz NSWCISWHBHXOBF-SNVBAGLBSA-N 0 3 197.278 2.355 10 0 AEAEHN CCc1cc(N)c(N(CC)CC)n1C 75558782 572864801 /nfs/dbraw/zinc/86/48/01/572864801.db2.gz SQFBSWKMQCPYDZ-UHFFFAOYSA-N 0 3 195.310 2.016 10 0 AEAEHN CCC(=O)CN1[C@H](C)CCC[C@H]1C 50179705 572864938 /nfs/dbraw/zinc/86/49/38/572864938.db2.gz YBTRFRCFHCYEGC-NXEZZACHSA-N 0 3 183.295 2.228 10 0 AEAEHN Cc1cc(CN2CCCCC2)oc1N 257586204 572864945 /nfs/dbraw/zinc/86/49/45/572864945.db2.gz WLGCXDKHQFKICE-UHFFFAOYSA-N 0 3 194.278 2.156 10 0 AEAEHN CCc1csc([C@H](N)C2CC2)n1 50181956 572865129 /nfs/dbraw/zinc/86/51/29/572865129.db2.gz JWMJTAFQRZQCPU-MRVPVSSYSA-N 0 3 182.292 2.115 10 0 AEAEHN CN[C@@H](c1ccsc1)C(C)(C)OC 86073520 572865193 /nfs/dbraw/zinc/86/51/93/572865193.db2.gz HWCWWEYHBXNIMY-VIFPVBQESA-N 0 3 199.319 2.434 10 0 AEAEHN CCC(=O)CN1[C@@H](C)CCC[C@H]1C 50179703 572865573 /nfs/dbraw/zinc/86/55/73/572865573.db2.gz YBTRFRCFHCYEGC-AOOOYVTPSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@H](F)CN(C)[C@@H]1CCSC1 307965464 572866313 /nfs/dbraw/zinc/86/63/13/572866313.db2.gz BMFNVNXVRZJSAR-DTWKUNHWSA-N 0 3 191.315 2.172 10 0 AEAEHN CC[C@@H](F)CN(C)[C@@H]1CCSC1 307965468 572866422 /nfs/dbraw/zinc/86/64/22/572866422.db2.gz BMFNVNXVRZJSAR-RKDXNWHRSA-N 0 3 191.315 2.172 10 0 AEAEHN CC[C@H](F)CN(C)[C@H]1CCSC1 307965466 572868009 /nfs/dbraw/zinc/86/80/09/572868009.db2.gz BMFNVNXVRZJSAR-IUCAKERBSA-N 0 3 191.315 2.172 10 0 AEAEHN CCc1nn(C(C)C)c(CC)c1CN 86109070 572871171 /nfs/dbraw/zinc/87/11/71/572871171.db2.gz UJHULMCSVGDGFA-UHFFFAOYSA-N 0 3 195.310 2.048 10 0 AEAEHN c1cc(CCCN2CCC2)cs1 307967037 572871874 /nfs/dbraw/zinc/87/18/74/572871874.db2.gz SEBYJOKQVLXUES-UHFFFAOYSA-N 0 3 181.304 2.386 10 0 AEAEHN CC(C)=CCNCC1(F)CCC1 307970516 572873890 /nfs/dbraw/zinc/87/38/90/572873890.db2.gz XAARDSDGHFOVBB-UHFFFAOYSA-N 0 3 171.259 2.434 10 0 AEAEHN CCCC1([C@@H](N)C2=CCCO2)CC1 308162176 572876604 /nfs/dbraw/zinc/87/66/04/572876604.db2.gz XIUMNRYPVRDHCF-JTQLQIEISA-N 0 3 181.279 2.198 10 0 AEAEHN CCCC1([C@H](N)C2=CCCO2)CC1 308162177 572876782 /nfs/dbraw/zinc/87/67/82/572876782.db2.gz XIUMNRYPVRDHCF-SNVBAGLBSA-N 0 3 181.279 2.198 10 0 AEAEHN CCCSCc1cc(N)ccn1 86135009 572877783 /nfs/dbraw/zinc/87/77/83/572877783.db2.gz OFAXIQRTPIMRGD-UHFFFAOYSA-N 0 3 182.292 2.307 10 0 AEAEHN C[C@@H](CC(F)F)NCc1ccco1 308157689 572877947 /nfs/dbraw/zinc/87/79/47/572877947.db2.gz SJPGGQSWVUECCA-ZETCQYMHSA-N 0 3 189.205 2.413 10 0 AEAEHN FC(F)CCNCc1ccco1 308157490 572878589 /nfs/dbraw/zinc/87/85/89/572878589.db2.gz PSACQNHVBFWWHP-UHFFFAOYSA-N 0 3 175.178 2.024 10 0 AEAEHN C[C@H](CC(F)F)NCc1ccco1 308157688 572878713 /nfs/dbraw/zinc/87/87/13/572878713.db2.gz SJPGGQSWVUECCA-SSDOTTSWSA-N 0 3 189.205 2.413 10 0 AEAEHN CC(C)[C@@H](C)N(CCF)C1CC1 307968064 572882077 /nfs/dbraw/zinc/88/20/77/572882077.db2.gz UKPABALVQAXUHS-SECBINFHSA-N 0 3 173.275 2.465 10 0 AEAEHN Nc1ccc2cccc3c2c1[C@H](N)C=C3 75599389 572880625 /nfs/dbraw/zinc/88/06/25/572880625.db2.gz LYEGEMGUNJNRAV-SNVBAGLBSA-N 0 3 196.253 2.449 10 0 AEAEHN NCc1c(C2CCC2)oc2c1COC2 214727760 572880849 /nfs/dbraw/zinc/88/08/49/572880849.db2.gz VJLQDXGHGGTNFB-UHFFFAOYSA-N 0 3 193.246 2.036 10 0 AEAEHN C[C@@H](CC(F)F)NCc1ccoc1 308160311 572881287 /nfs/dbraw/zinc/88/12/87/572881287.db2.gz URZJBAWSLBWPOS-ZETCQYMHSA-N 0 3 189.205 2.413 10 0 AEAEHN C[C@H](CC(F)F)NCc1ccoc1 308160310 572881535 /nfs/dbraw/zinc/88/15/35/572881535.db2.gz URZJBAWSLBWPOS-SSDOTTSWSA-N 0 3 189.205 2.413 10 0 AEAEHN Nc1ccc2cccc3c2c1[C@@H](N)C=C3 75599388 572881705 /nfs/dbraw/zinc/88/17/05/572881705.db2.gz LYEGEMGUNJNRAV-JTQLQIEISA-N 0 3 196.253 2.449 10 0 AEAEHN CCNCc1cnoc1[C@H](C)CC 308159006 572881718 /nfs/dbraw/zinc/88/17/18/572881718.db2.gz VPJKTKZKXXRPRS-MRVPVSSYSA-N 0 3 182.267 2.298 10 0 AEAEHN CCNCc1cnoc1[C@@H](C)CC 308159008 572882174 /nfs/dbraw/zinc/88/21/74/572882174.db2.gz VPJKTKZKXXRPRS-QMMMGPOBSA-N 0 3 182.267 2.298 10 0 AEAEHN CC(C)CSC[C@H](C)NCCF 307971935 572882262 /nfs/dbraw/zinc/88/22/62/572882262.db2.gz YNTIHBXHDOBNFU-VIFPVBQESA-N 0 3 193.331 2.323 10 0 AEAEHN CC(C)[C@H](C)N(CCF)C1CC1 307968065 572882455 /nfs/dbraw/zinc/88/24/55/572882455.db2.gz UKPABALVQAXUHS-VIFPVBQESA-N 0 3 173.275 2.465 10 0 AEAEHN CC(C)CSC[C@@H](C)NCCF 307971934 572882486 /nfs/dbraw/zinc/88/24/86/572882486.db2.gz YNTIHBXHDOBNFU-SECBINFHSA-N 0 3 193.331 2.323 10 0 AEAEHN CCN[C@H]1c2ccccc2-n2cccc21 75600811 572882492 /nfs/dbraw/zinc/88/24/92/572882492.db2.gz AXIKJCVOZUCWCA-ZDUSSCGKSA-N 0 3 198.269 2.490 10 0 AEAEHN CC(C)[C@@H](C)N[C@@H](C)c1ccon1 308165189 572883029 /nfs/dbraw/zinc/88/30/29/572883029.db2.gz XFELRJOVRVHFSR-BDAKNGLRSA-N 0 3 182.267 2.370 10 0 AEAEHN CC(C)[C@H](C)N[C@H](C)c1ccon1 308165190 572883333 /nfs/dbraw/zinc/88/33/33/572883333.db2.gz XFELRJOVRVHFSR-DTWKUNHWSA-N 0 3 182.267 2.370 10 0 AEAEHN CC(C)[C@@H](C)N[C@H](C)c1ccon1 308165192 572884076 /nfs/dbraw/zinc/88/40/76/572884076.db2.gz XFELRJOVRVHFSR-RKDXNWHRSA-N 0 3 182.267 2.370 10 0 AEAEHN CC(C)[C@H](C)N[C@@H](C)c1ccon1 308165191 572884107 /nfs/dbraw/zinc/88/41/07/572884107.db2.gz XFELRJOVRVHFSR-IUCAKERBSA-N 0 3 182.267 2.370 10 0 AEAEHN Cc1cc([C@H](N)c2ccccc2)ccn1 75600837 572884614 /nfs/dbraw/zinc/88/46/14/572884614.db2.gz LAHXFBINYZHOSI-CYBMUJFWSA-N 0 3 198.269 2.438 10 0 AEAEHN Cc1cc([C@@H](N)c2ccccc2)ccn1 75600839 572884662 /nfs/dbraw/zinc/88/46/62/572884662.db2.gz LAHXFBINYZHOSI-ZDUSSCGKSA-N 0 3 198.269 2.438 10 0 AEAEHN CCN[C@@H]1c2ccccc2-n2cccc21 75600810 572884911 /nfs/dbraw/zinc/88/49/11/572884911.db2.gz AXIKJCVOZUCWCA-CYBMUJFWSA-N 0 3 198.269 2.490 10 0 AEAEHN C[C@H]1C[C@]1(N)c1nccc2ccccc12 86199085 572887758 /nfs/dbraw/zinc/88/77/58/572887758.db2.gz XPQKSHMJEGJKES-TVQRCGJNSA-N 0 3 198.269 2.429 10 0 AEAEHN C[C@@H]1C[C@@]1(N)c1ccc2ccccc2n1 86199169 572887945 /nfs/dbraw/zinc/88/79/45/572887945.db2.gz YOALYXRXUZCDNJ-RNCFNFMXSA-N 0 3 198.269 2.429 10 0 AEAEHN C[C@H]1C[C@]1(N)c1ccc2ccccc2n1 86199167 572888002 /nfs/dbraw/zinc/88/80/02/572888002.db2.gz YOALYXRXUZCDNJ-TVQRCGJNSA-N 0 3 198.269 2.429 10 0 AEAEHN C[C@@H]1C[C@]1(N)c1ccc2ccccc2n1 86199165 572888269 /nfs/dbraw/zinc/88/82/69/572888269.db2.gz YOALYXRXUZCDNJ-NOZJJQNGSA-N 0 3 198.269 2.429 10 0 AEAEHN Oc1ccc(CNC/C=C/Cl)cc1 236631092 572888772 /nfs/dbraw/zinc/88/87/72/572888772.db2.gz NFQWPBSJZLUBQB-LZCJLJQNSA-N 0 3 197.665 2.234 10 0 AEAEHN C[C@@H]1C[C@@]1(N)c1nccc2ccccc12 86199087 572889062 /nfs/dbraw/zinc/88/90/62/572889062.db2.gz XPQKSHMJEGJKES-RNCFNFMXSA-N 0 3 198.269 2.429 10 0 AEAEHN C[C@H]1C[C@@]1(N)c1nccc2ccccc12 86199088 572889881 /nfs/dbraw/zinc/88/98/81/572889881.db2.gz XPQKSHMJEGJKES-ZANVPECISA-N 0 3 198.269 2.429 10 0 AEAEHN CC(C)C(=O)CCN1[C@@H](C)C[C@H]1C 308170149 572890682 /nfs/dbraw/zinc/89/06/82/572890682.db2.gz ZDQFPBFAMPOFJO-AOOOYVTPSA-N 0 3 183.295 2.084 10 0 AEAEHN CN(C)CCSCC=C1CCC1 308162568 572891348 /nfs/dbraw/zinc/89/13/48/572891348.db2.gz SEHVZNQIYDLNBL-UHFFFAOYSA-N 0 3 185.336 2.392 10 0 AEAEHN Cc1ccc2c(c1Cl)[C@@H](N)CO2 713771240 572892319 /nfs/dbraw/zinc/89/23/19/572892319.db2.gz KDKGFTGEAFWDHS-LURJTMIESA-N 0 3 183.638 2.041 10 0 AEAEHN Cc1ccc2c(c1Cl)[C@H](N)CO2 713771244 572894540 /nfs/dbraw/zinc/89/45/40/572894540.db2.gz KDKGFTGEAFWDHS-ZCFIWIBFSA-N 0 3 183.638 2.041 10 0 AEAEHN CCCNc1ncc(CNCC)s1 308175738 572898163 /nfs/dbraw/zinc/89/81/63/572898163.db2.gz AKSSJZFODPVOIC-UHFFFAOYSA-N 0 3 199.323 2.075 10 0 AEAEHN CCCNCc1cc(C(C)C)n[nH]1 50479118 572898247 /nfs/dbraw/zinc/89/82/47/572898247.db2.gz LLXOZLKBAXMGGA-UHFFFAOYSA-N 0 3 181.283 2.033 10 0 AEAEHN CCc1ccc([C@@H]2CN[C@H](C)O2)cc1 71505814 572899007 /nfs/dbraw/zinc/89/90/07/572899007.db2.gz VOPWFZMXXWXSKK-CABZTGNLSA-N 0 3 191.274 2.256 10 0 AEAEHN Cl/C=C\CN1C[C@@H]2CCC[C@H]2C1 308176949 572899575 /nfs/dbraw/zinc/89/95/75/572899575.db2.gz ZPLRJFAEFCJRMW-UVIRMYHISA-N 0 3 185.698 2.471 10 0 AEAEHN C[C@@H]1NC[C@@H](c2ccccc2Cl)O1 71507605 572900326 /nfs/dbraw/zinc/90/03/26/572900326.db2.gz IWAXCPRHTDVHHW-XCBNKYQSSA-N 0 3 197.665 2.347 10 0 AEAEHN C[C@@H]1NC[C@H](c2ccc(Cl)cc2)O1 71507631 572900330 /nfs/dbraw/zinc/90/03/30/572900330.db2.gz ZJIOFKJNUFIEDY-GMSGAONNSA-N 0 3 197.665 2.347 10 0 AEAEHN CC(C)[C@@H]1NC[C@@H](c2cccs2)O1 71507552 572900460 /nfs/dbraw/zinc/90/04/60/572900460.db2.gz YZNYTARQSPVVRX-WCBMZHEXSA-N 0 3 197.303 2.391 10 0 AEAEHN CN[C@@H](C(=O)c1cccs1)C(C)C 71507565 572900620 /nfs/dbraw/zinc/90/06/20/572900620.db2.gz VRLPBFHEHMSSAZ-SECBINFHSA-N 0 3 197.303 2.175 10 0 AEAEHN C[C@@H]1NC[C@H](c2ccccc2Cl)O1 71507603 572900805 /nfs/dbraw/zinc/90/08/05/572900805.db2.gz IWAXCPRHTDVHHW-GMSGAONNSA-N 0 3 197.665 2.347 10 0 AEAEHN CC(C)[C@H]1NC[C@@H](c2cccs2)O1 71507553 572901549 /nfs/dbraw/zinc/90/15/49/572901549.db2.gz YZNYTARQSPVVRX-WPRPVWTQSA-N 0 3 197.303 2.391 10 0 AEAEHN CC(C)[C@H](N)c1nccn1C(C)C 75854265 572902044 /nfs/dbraw/zinc/90/20/44/572902044.db2.gz VNCZQDJOGTVLDF-VIFPVBQESA-N 0 3 181.283 2.120 10 0 AEAEHN CC[C@@H]1CCCN1CC(=O)C(C)C 86276370 572902535 /nfs/dbraw/zinc/90/25/35/572902535.db2.gz OTASDOKOMWINHV-SNVBAGLBSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](C)N(CC)CC(=O)C(C)C 86276331 572902669 /nfs/dbraw/zinc/90/26/69/572902669.db2.gz NOGKSWBNZKBRTK-JTQLQIEISA-N 0 3 185.311 2.332 10 0 AEAEHN CCCN(CC(=O)C(C)C)CC1CC1 86276396 572902688 /nfs/dbraw/zinc/90/26/88/572902688.db2.gz LYYNHBDPKBSQDG-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCCN(CC(=O)C(C)C)C1CC1 86276399 572902763 /nfs/dbraw/zinc/90/27/63/572902763.db2.gz KIISKKKMBWCDPY-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)[C@@H](N)c1nccn1C(C)C 75854266 572903308 /nfs/dbraw/zinc/90/33/08/572903308.db2.gz VNCZQDJOGTVLDF-SECBINFHSA-N 0 3 181.283 2.120 10 0 AEAEHN CC(C)c1nccn1-c1ccncc1 75839077 572902818 /nfs/dbraw/zinc/90/28/18/572902818.db2.gz VILPHIVPUFIPQX-UHFFFAOYSA-N 0 3 187.246 2.391 10 0 AEAEHN CC(C)C(=O)CN(C)C1CCCCC1 86276307 572902848 /nfs/dbraw/zinc/90/28/48/572902848.db2.gz PNEDKJAVCLYVET-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](C)CN(C)CC(=O)C(C)C 86276333 572903076 /nfs/dbraw/zinc/90/30/76/572903076.db2.gz VTZCMGAIHGMXML-SNVBAGLBSA-N 0 3 185.311 2.189 10 0 AEAEHN CC(C)C(=O)CN(CC1CC1)C(C)C 86276431 572903138 /nfs/dbraw/zinc/90/31/38/572903138.db2.gz CSNYZOOJYBRQTJ-UHFFFAOYSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)C(=O)CN(C)[C@@H](C)C(C)C 86276346 572903163 /nfs/dbraw/zinc/90/31/63/572903163.db2.gz QICKYYWPNMPIPR-JTQLQIEISA-N 0 3 185.311 2.188 10 0 AEAEHN CC(C)CCN(C)CC(=O)C(C)C 86276384 572903299 /nfs/dbraw/zinc/90/32/99/572903299.db2.gz GIBPMGHMHIACAA-UHFFFAOYSA-N 0 3 185.311 2.189 10 0 AEAEHN CC[C@H]1CCCN1CC(=O)C(C)C 86276371 572903404 /nfs/dbraw/zinc/90/34/04/572903404.db2.gz OTASDOKOMWINHV-JTQLQIEISA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1cc([O-])c(C(C)C)cc1C(N)=[NH2+] 75847675 572905091 /nfs/dbraw/zinc/90/50/91/572905091.db2.gz YJZSBBVLRPNHIS-UHFFFAOYSA-N 0 3 192.262 2.108 10 0 AEAEHN CC[C@@H]1CCCCN1CC(=O)C(C)C 86276319 572903965 /nfs/dbraw/zinc/90/39/65/572903965.db2.gz NZPPGZXQGPHHSV-LLVKDONJSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN(CC(=O)C(C)C)C(C)C 86276323 572904062 /nfs/dbraw/zinc/90/40/62/572904062.db2.gz SCKACRLBIZGCPK-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(CC)n1cc(C)c(CN)n1 308180266 572905099 /nfs/dbraw/zinc/90/50/99/572905099.db2.gz CHXFOUHXSGRNPI-UHFFFAOYSA-N 0 3 181.283 2.011 10 0 AEAEHN CC(C)CN(CC(=O)C(C)C)C1CC1 86276425 572904222 /nfs/dbraw/zinc/90/42/22/572904222.db2.gz QJBSGSCCPPGZGA-UHFFFAOYSA-N 0 3 197.322 2.332 10 0 AEAEHN CCCN(CCC)CC(=O)C(C)C 86276304 572904398 /nfs/dbraw/zinc/90/43/98/572904398.db2.gz LDJSAZYJBFNXCQ-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CC[C@H](C)[C@@H](C)C[C@H]1COCCN1 308178205 572904473 /nfs/dbraw/zinc/90/44/73/572904473.db2.gz BIDBJNNUXKZITR-DCAQKATOSA-N 0 3 185.311 2.047 10 0 AEAEHN CC[C@H]1CCCCN1CC(=O)C(C)C 86276320 572904678 /nfs/dbraw/zinc/90/46/78/572904678.db2.gz NZPPGZXQGPHHSV-NSHDSACASA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@H](C)CN(C)CC(=O)C(C)C 86276334 572905134 /nfs/dbraw/zinc/90/51/34/572905134.db2.gz VTZCMGAIHGMXML-JTQLQIEISA-N 0 3 185.311 2.189 10 0 AEAEHN CCN(CC(=O)C(C)C)C1CCCC1 86276336 572904902 /nfs/dbraw/zinc/90/49/02/572904902.db2.gz MTBUREPFIKQYHS-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCCN(CC)CC(=O)C(C)C 86276276 572904918 /nfs/dbraw/zinc/90/49/18/572904918.db2.gz KPJWDGIDDYTYNJ-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CCC1CCN(CC(=O)C(C)C)CC1 86276379 572904952 /nfs/dbraw/zinc/90/49/52/572904952.db2.gz BEBRDYCXDHATHZ-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN CCC[C@@H](C)N(C)CC(=O)C(C)C 86276348 572905189 /nfs/dbraw/zinc/90/51/89/572905189.db2.gz FQMWDBFTRVUHKX-SNVBAGLBSA-N 0 3 185.311 2.332 10 0 AEAEHN CC[C@H](C)[C@H](C)C[C@@H]1COCCN1 308178210 572905210 /nfs/dbraw/zinc/90/52/10/572905210.db2.gz BIDBJNNUXKZITR-HBNTYKKESA-N 0 3 185.311 2.047 10 0 AEAEHN CC[C@H]1CCCN(CC(=O)C(C)C)C1 86276352 572905214 /nfs/dbraw/zinc/90/52/14/572905214.db2.gz UGYCPWLEQUTAPM-NSHDSACASA-N 0 3 197.322 2.334 10 0 AEAEHN CCCN(CC(=O)C(C)C)C1CC1 86276324 572905223 /nfs/dbraw/zinc/90/52/23/572905223.db2.gz WBHXJTSDTXXYRF-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1ccc(Cl)c(C(=N)N)c1F 75847648 572905417 /nfs/dbraw/zinc/90/54/17/572905417.db2.gz LPOZYCVQSQJQQR-UHFFFAOYSA-N 0 3 186.617 2.072 10 0 AEAEHN CC[C@@H](C)N(CC)CC(=O)C(C)C 86276330 572905435 /nfs/dbraw/zinc/90/54/35/572905435.db2.gz NOGKSWBNZKBRTK-SNVBAGLBSA-N 0 3 185.311 2.332 10 0 AEAEHN CC(C)SCc1nc([C@@H](C)N)c[nH]1 308181511 572905466 /nfs/dbraw/zinc/90/54/66/572905466.db2.gz HNHSIZKUFLNJCE-SSDOTTSWSA-N 0 3 199.323 2.071 10 0 AEAEHN CC[C@H](C)[C@@H](C)C[C@@H]1COCCN1 308178208 572905541 /nfs/dbraw/zinc/90/55/41/572905541.db2.gz BIDBJNNUXKZITR-GARJFASQSA-N 0 3 185.311 2.047 10 0 AEAEHN CCN(CC(=O)C(C)C)CC(C)C 86276329 572905552 /nfs/dbraw/zinc/90/55/52/572905552.db2.gz HFNXSQGJNJWGJM-UHFFFAOYSA-N 0 3 185.311 2.189 10 0 AEAEHN CC[C@@H]1CCCN(CC(=O)C(C)C)C1 86276351 572905564 /nfs/dbraw/zinc/90/55/64/572905564.db2.gz UGYCPWLEQUTAPM-LLVKDONJSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(=O)c1cc(F)cc([C@@H](C)N)c1 75845076 572905629 /nfs/dbraw/zinc/90/56/29/572905629.db2.gz YCTXLQZGHRUOMQ-ZCFIWIBFSA-N 0 3 181.210 2.048 10 0 AEAEHN CCC(CC)N(C)CC(=O)C(C)C 86276347 572905648 /nfs/dbraw/zinc/90/56/48/572905648.db2.gz JEEJCVIYWVCATG-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN CCCCCN(C)CC(=O)C(C)C 86276332 572905674 /nfs/dbraw/zinc/90/56/74/572905674.db2.gz CUXQCHWPCZFKHK-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CC(C)C(=O)CN(C)C1CCCC1 86276321 572905741 /nfs/dbraw/zinc/90/57/41/572905741.db2.gz REHPYSCNLZLGFQ-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)CCc1nc([C@H](C)N)c[nH]1 308180391 572905926 /nfs/dbraw/zinc/90/59/26/572905926.db2.gz GYAIFWCWPHJHEE-QMMMGPOBSA-N 0 3 181.283 2.018 10 0 AEAEHN COCCCC[C@@H](N)c1ccco1 308181033 572905993 /nfs/dbraw/zinc/90/59/93/572905993.db2.gz CLHACSFDAVJZMG-SECBINFHSA-N 0 3 183.251 2.096 10 0 AEAEHN CC(C)C(=O)CN(CC1CC1)C1CC1 86276724 572906183 /nfs/dbraw/zinc/90/61/83/572906183.db2.gz AQOKLYRZKQGSLJ-UHFFFAOYSA-N 0 3 195.306 2.086 10 0 AEAEHN CC(=O)c1cc(Cl)cc(CN)c1 75844831 572906355 /nfs/dbraw/zinc/90/63/55/572906355.db2.gz QIXFJUGMVUFDPA-UHFFFAOYSA-N 0 3 183.638 2.001 10 0 AEAEHN C[C@@H]1CCCN([C@@H]2CCCC2=O)[C@@H]1C 50565949 572906357 /nfs/dbraw/zinc/90/63/57/572906357.db2.gz YNDGSYFMSIWREO-GMTAPVOTSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(=O)c1ccc(F)c([C@@H](C)N)c1 75845072 572906369 /nfs/dbraw/zinc/90/63/69/572906369.db2.gz QHQIMJKKWZCRMA-ZCFIWIBFSA-N 0 3 181.210 2.048 10 0 AEAEHN CC(=O)c1cc(F)cc([C@H](C)N)c1 75845075 572906474 /nfs/dbraw/zinc/90/64/74/572906474.db2.gz YCTXLQZGHRUOMQ-LURJTMIESA-N 0 3 181.210 2.048 10 0 AEAEHN CC(=O)c1ccc(F)c([C@H](C)N)c1 75845071 572906881 /nfs/dbraw/zinc/90/68/81/572906881.db2.gz QHQIMJKKWZCRMA-LURJTMIESA-N 0 3 181.210 2.048 10 0 AEAEHN COCCCC[C@H](N)c1ccco1 308181034 572907074 /nfs/dbraw/zinc/90/70/74/572907074.db2.gz CLHACSFDAVJZMG-VIFPVBQESA-N 0 3 183.251 2.096 10 0 AEAEHN CC(C)C(=O)CN(C)CC1CCCC1 86276692 572907328 /nfs/dbraw/zinc/90/73/28/572907328.db2.gz LZAMSHZDDFRMDU-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN CCN(CC)CC(=O)C(C)(C)CC 308181363 572907627 /nfs/dbraw/zinc/90/76/27/572907627.db2.gz CYOQRRHMCRAEBJ-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CC(C)CCc1nc([C@@H](C)N)c[nH]1 308180389 572907749 /nfs/dbraw/zinc/90/77/49/572907749.db2.gz GYAIFWCWPHJHEE-MRVPVSSYSA-N 0 3 181.283 2.018 10 0 AEAEHN c1cc([C@@H]2CCCCN2)n(C2CC2)n1 75869329 572907841 /nfs/dbraw/zinc/90/78/41/572907841.db2.gz SRLNOAXULUPOTF-JTQLQIEISA-N 0 3 191.278 2.033 10 0 AEAEHN CCCN[C@@H](C)c1c[nH]c(CC)n1 308184986 572908276 /nfs/dbraw/zinc/90/82/76/572908276.db2.gz JCNKWPBWHODOTO-QMMMGPOBSA-N 0 3 181.283 2.033 10 0 AEAEHN CCC(C)(C)N(C)CC(=O)C(C)C 86276706 572908396 /nfs/dbraw/zinc/90/83/96/572908396.db2.gz XZLBZSSGGAZVNC-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN c1cn(C2CC2)c([C@@H]2CCCCN2)n1 75869167 572908443 /nfs/dbraw/zinc/90/84/43/572908443.db2.gz WKCQPLJAPVPKCK-JTQLQIEISA-N 0 3 191.278 2.033 10 0 AEAEHN CCCCCN1CCC(=O)[C@H](C)[C@@H]1C 86302999 572908790 /nfs/dbraw/zinc/90/87/90/572908790.db2.gz ZZCLARHIMNDZKI-MNOVXSKESA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN[C@H](C)c1c[nH]c(CC)n1 308184980 572908795 /nfs/dbraw/zinc/90/87/95/572908795.db2.gz JCNKWPBWHODOTO-MRVPVSSYSA-N 0 3 181.283 2.033 10 0 AEAEHN c1cc([C@H]2CCCCN2)n(C2CC2)n1 75869330 572908885 /nfs/dbraw/zinc/90/88/85/572908885.db2.gz SRLNOAXULUPOTF-SNVBAGLBSA-N 0 3 191.278 2.033 10 0 AEAEHN C=Cn1ccnc1[C@H]1CCCCCN1 75868792 572909242 /nfs/dbraw/zinc/90/92/42/572909242.db2.gz RSUNNOOBRHPQJS-SNVBAGLBSA-N 0 3 191.278 2.188 10 0 AEAEHN C=Cn1ccnc1[C@@H]1CCCCCN1 75868791 572909805 /nfs/dbraw/zinc/90/98/05/572909805.db2.gz RSUNNOOBRHPQJS-JTQLQIEISA-N 0 3 191.278 2.188 10 0 AEAEHN CCCCCN1CCC(=O)[C@@H](C)[C@@H]1C 86303000 572909904 /nfs/dbraw/zinc/90/99/04/572909904.db2.gz ZZCLARHIMNDZKI-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN c1cn(C2CC2)c([C@H]2CCCCN2)n1 75869168 572909979 /nfs/dbraw/zinc/90/99/79/572909979.db2.gz WKCQPLJAPVPKCK-SNVBAGLBSA-N 0 3 191.278 2.033 10 0 AEAEHN C/C=C\CCNCc1cc(C)no1 308185724 572911078 /nfs/dbraw/zinc/91/10/78/572911078.db2.gz FTPQTAQXHASMDZ-ARJAWSKDSA-N 0 3 180.251 2.039 10 0 AEAEHN CNC(C)(C)[C@@H](F)Cc1ccco1 308182550 572911406 /nfs/dbraw/zinc/91/14/06/572911406.db2.gz DLZTVXHNUCIHRP-VIFPVBQESA-N 0 3 185.242 2.158 10 0 AEAEHN C/C=C/CCNCc1cc(C)no1 308185725 572911884 /nfs/dbraw/zinc/91/18/84/572911884.db2.gz FTPQTAQXHASMDZ-ONEGZZNKSA-N 0 3 180.251 2.039 10 0 AEAEHN CCNCc1cnc(NC(C)C)s1 308182807 572912766 /nfs/dbraw/zinc/91/27/66/572912766.db2.gz DDSZWTUZZMHTPA-UHFFFAOYSA-N 0 3 199.323 2.073 10 0 AEAEHN CC(C)C[C@@H](C)[C@H](N)c1ncc[nH]1 308187942 572912909 /nfs/dbraw/zinc/91/29/09/572912909.db2.gz LHXVYSFFMDYWLA-BDAKNGLRSA-N 0 3 181.283 2.092 10 0 AEAEHN CC(C)C[C@@H](C)[C@@H](N)c1ncc[nH]1 308187945 572913058 /nfs/dbraw/zinc/91/30/58/572913058.db2.gz LHXVYSFFMDYWLA-RKDXNWHRSA-N 0 3 181.283 2.092 10 0 AEAEHN Cc1nc(-c2cccs2)c(CN)o1 57489401 572914601 /nfs/dbraw/zinc/91/46/01/572914601.db2.gz UZBCQNWMPMSVOF-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CCCC[C@@H](NC)c1nccn1CC 86315176 572915265 /nfs/dbraw/zinc/91/52/65/572915265.db2.gz NJDBBHPAOZTLSF-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CCCC[C@@H](NCC)c1cncnc1 86315350 572915288 /nfs/dbraw/zinc/91/52/88/572915288.db2.gz FTHZNBPWVZGKBD-LLVKDONJSA-N 0 3 193.294 2.317 10 0 AEAEHN Cn1ccnc1NC(C1CC1)C1CC1 50606391 572915688 /nfs/dbraw/zinc/91/56/88/572915688.db2.gz IQTPACMWTWOTRZ-UHFFFAOYSA-N 0 3 191.278 2.021 10 0 AEAEHN c1ccc(-c2cnc3c(c2)CNC3)cc1 238043206 572915762 /nfs/dbraw/zinc/91/57/62/572915762.db2.gz OFVYAOPDRZDXGN-UHFFFAOYSA-N 0 3 196.253 2.352 10 0 AEAEHN CCCC[C@@H](NC)c1cccnc1N 86315236 572915798 /nfs/dbraw/zinc/91/57/98/572915798.db2.gz MJTXKIBIRCVFMT-SNVBAGLBSA-N 0 3 193.294 2.115 10 0 AEAEHN CCCC[C@@H](NCC)c1nccn1C 86315402 572915820 /nfs/dbraw/zinc/91/58/20/572915820.db2.gz XJDOBOXNDAGSON-SNVBAGLBSA-N 0 3 195.310 2.261 10 0 AEAEHN CCCC[C@H](NC)c1cccnc1N 86315235 572916188 /nfs/dbraw/zinc/91/61/88/572916188.db2.gz MJTXKIBIRCVFMT-JTQLQIEISA-N 0 3 193.294 2.115 10 0 AEAEHN CCCC[C@H](NCC)c1nccn1C 86315401 572916202 /nfs/dbraw/zinc/91/62/02/572916202.db2.gz XJDOBOXNDAGSON-JTQLQIEISA-N 0 3 195.310 2.261 10 0 AEAEHN c1cc2c(cn1)CCc1cnccc1N2 238038037 572916547 /nfs/dbraw/zinc/91/65/47/572916547.db2.gz QHGUCLQCBADCLI-UHFFFAOYSA-N 0 3 197.241 2.319 10 0 AEAEHN CCCC[C@@H](NC)c1cnccc1N 86315216 572916771 /nfs/dbraw/zinc/91/67/71/572916771.db2.gz CMVPEQRHLNJSLZ-LLVKDONJSA-N 0 3 193.294 2.115 10 0 AEAEHN CCCC[C@H](NC)c1ccnn1CC 86315137 572917315 /nfs/dbraw/zinc/91/73/15/572917315.db2.gz UGWYVHQBFLLOCY-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN c1ccc2c(c1)CNCc1cccn1C2 238042483 572917373 /nfs/dbraw/zinc/91/73/73/572917373.db2.gz TYJVDFRFIDEMNR-UHFFFAOYSA-N 0 3 198.269 2.140 10 0 AEAEHN CCCCc1nc([C@H](C)NC)c[nH]1 308189264 572917428 /nfs/dbraw/zinc/91/74/28/572917428.db2.gz MJBNPOSZBPXQDX-QMMMGPOBSA-N 0 3 181.283 2.033 10 0 AEAEHN CCCC[C@H](N)c1nccn1CC 86322783 572918842 /nfs/dbraw/zinc/91/88/42/572918842.db2.gz JCXDFRXHZMYUHA-VIFPVBQESA-N 0 3 181.283 2.093 10 0 AEAEHN Cc1n[nH]c(C)c1[C@@H]1CCCCN1C 75906696 572917482 /nfs/dbraw/zinc/91/74/82/572917482.db2.gz GOUSMDFSLUWKML-JTQLQIEISA-N 0 3 193.294 2.183 10 0 AEAEHN CCCC[C@@H](N)c1nccn1CCC 86323129 572917792 /nfs/dbraw/zinc/91/77/92/572917792.db2.gz WSRFKLZWWYLUJR-SNVBAGLBSA-N 0 3 195.310 2.483 10 0 AEAEHN c1cncc(-c2ccc3c(c2)CNC3)c1 238042758 572917797 /nfs/dbraw/zinc/91/77/97/572917797.db2.gz RFUFFQFRZJAVCS-UHFFFAOYSA-N 0 3 196.253 2.352 10 0 AEAEHN CCCCc1nc(CNC2CC2)c[nH]1 86324157 572917865 /nfs/dbraw/zinc/91/78/65/572917865.db2.gz ZZILJFSEBRRAGP-UHFFFAOYSA-N 0 3 193.294 2.004 10 0 AEAEHN CCCCc1ncc(CNC2CC2)[nH]1 86324157 572917866 /nfs/dbraw/zinc/91/78/66/572917866.db2.gz ZZILJFSEBRRAGP-UHFFFAOYSA-N 0 3 193.294 2.004 10 0 AEAEHN CCCCc1ncc(CNC)s1 86323244 572918068 /nfs/dbraw/zinc/91/80/68/572918068.db2.gz MTWVTZAVFYKTST-UHFFFAOYSA-N 0 3 184.308 2.205 10 0 AEAEHN CCCCc1nc(C)c(CN)s1 86323835 572918073 /nfs/dbraw/zinc/91/80/73/572918073.db2.gz UGUGPROPHFRROA-UHFFFAOYSA-N 0 3 184.308 2.253 10 0 AEAEHN CCCCc1ncc([C@H](C)N)c(C)n1 86324014 572918193 /nfs/dbraw/zinc/91/81/93/572918193.db2.gz ZSZJQPARMKWZSI-QMMMGPOBSA-N 0 3 193.294 2.147 10 0 AEAEHN CCCC[C@@H](N)c1ccnn1CCC 86322894 572918201 /nfs/dbraw/zinc/91/82/01/572918201.db2.gz CONFGFMRAGFLGZ-SNVBAGLBSA-N 0 3 195.310 2.483 10 0 AEAEHN CCCCc1nc(CNCCC)c[nH]1 86324152 572918312 /nfs/dbraw/zinc/91/83/12/572918312.db2.gz GDPKOAYAFFUDPL-UHFFFAOYSA-N 0 3 195.310 2.252 10 0 AEAEHN Cc1nc([C@@H](N)CCC(C)C)co1 308189291 572918433 /nfs/dbraw/zinc/91/84/33/572918433.db2.gz MKUZELKTMWYJKO-VIFPVBQESA-N 0 3 182.267 2.419 10 0 AEAEHN CCCC[C@H](N)c1c(C)ccnc1N 86322753 572918480 /nfs/dbraw/zinc/91/84/80/572918480.db2.gz AHMDTLSWJIODBT-VIFPVBQESA-N 0 3 193.294 2.162 10 0 AEAEHN CCCCc1nc(CNC(C)C)c[nH]1 86324154 572918534 /nfs/dbraw/zinc/91/85/34/572918534.db2.gz OQXCEXQFQKZADD-UHFFFAOYSA-N 0 3 195.310 2.250 10 0 AEAEHN CCCC[C@H](N)c1ccnn1CC 86322694 572918745 /nfs/dbraw/zinc/91/87/45/572918745.db2.gz SRUIPNIFEGNJNA-VIFPVBQESA-N 0 3 181.283 2.093 10 0 AEAEHN CCCC[C@H](N)c1ccnn1CCC 86322891 572918857 /nfs/dbraw/zinc/91/88/57/572918857.db2.gz CONFGFMRAGFLGZ-JTQLQIEISA-N 0 3 195.310 2.483 10 0 AEAEHN CCCC[C@H](N)c1nccn1CCC 86323126 572919009 /nfs/dbraw/zinc/91/90/09/572919009.db2.gz WSRFKLZWWYLUJR-JTQLQIEISA-N 0 3 195.310 2.483 10 0 AEAEHN CC(C)C[C@@H](O)[C@H](N)c1ccsc1 308188908 572919025 /nfs/dbraw/zinc/91/90/25/572919025.db2.gz HSJSQEZTMKQSJE-NXEZZACHSA-N 0 3 199.319 2.155 10 0 AEAEHN CCCC[C@@H](N)c1ccnn1CC 86322697 572919057 /nfs/dbraw/zinc/91/90/57/572919057.db2.gz SRUIPNIFEGNJNA-SECBINFHSA-N 0 3 181.283 2.093 10 0 AEAEHN CCCCc1ncc([C@@H](C)N)c(C)n1 86324012 572919377 /nfs/dbraw/zinc/91/93/77/572919377.db2.gz ZSZJQPARMKWZSI-MRVPVSSYSA-N 0 3 193.294 2.147 10 0 AEAEHN CCCC[C@@H](N)c1nccn1CC 86322784 572919507 /nfs/dbraw/zinc/91/95/07/572919507.db2.gz JCXDFRXHZMYUHA-SECBINFHSA-N 0 3 181.283 2.093 10 0 AEAEHN Cc1csc([C@@H]2CCCN(C)C2)n1 72381224 572920610 /nfs/dbraw/zinc/92/06/10/572920610.db2.gz PKNCXYRVSCYZGU-SECBINFHSA-N 0 3 196.319 2.261 10 0 AEAEHN Cc1csc([C@H]2CCCN(C)C2)n1 72381225 572921658 /nfs/dbraw/zinc/92/16/58/572921658.db2.gz PKNCXYRVSCYZGU-VIFPVBQESA-N 0 3 196.319 2.261 10 0 AEAEHN CC(C)C[C@@H](C)C(=O)CNC(C)C 308194052 572923189 /nfs/dbraw/zinc/92/31/89/572923189.db2.gz PRLMEOZWFVLGMN-SNVBAGLBSA-N 0 3 185.311 2.236 10 0 AEAEHN CC(C)C[C@@H](O)[C@H](N)c1cccs1 308194128 572923311 /nfs/dbraw/zinc/92/33/11/572923311.db2.gz LJHAIAKDMMHZNV-SCZZXKLOSA-N 0 3 199.319 2.155 10 0 AEAEHN CC[C@H](N)C(=O)CC1(C)CCCC1 308193681 572923606 /nfs/dbraw/zinc/92/36/06/572923606.db2.gz LCAKPYGYBATRRQ-VIFPVBQESA-N 0 3 183.295 2.263 10 0 AEAEHN CC(C)C[C@H](O)[C@@H](N)c1cccs1 308194129 572924206 /nfs/dbraw/zinc/92/42/06/572924206.db2.gz LJHAIAKDMMHZNV-WCBMZHEXSA-N 0 3 199.319 2.155 10 0 AEAEHN CC[C@@H](N)C(=O)CC1(C)CCCC1 308193680 572924577 /nfs/dbraw/zinc/92/45/77/572924577.db2.gz LCAKPYGYBATRRQ-SECBINFHSA-N 0 3 183.295 2.263 10 0 AEAEHN CC(C)C[C@H](C)C(=O)CNC(C)C 308194051 572924907 /nfs/dbraw/zinc/92/49/07/572924907.db2.gz PRLMEOZWFVLGMN-JTQLQIEISA-N 0 3 185.311 2.236 10 0 AEAEHN C[C@H](CCC(C)(C)C)NC1COC1 308191550 572926358 /nfs/dbraw/zinc/92/63/58/572926358.db2.gz OAOLHCKASBUJQN-SECBINFHSA-N 0 3 185.311 2.190 10 0 AEAEHN CNCc1cc2cc(C)ccc2cn1 141233254 572926791 /nfs/dbraw/zinc/92/67/91/572926791.db2.gz PYXYCUZCAODPKD-UHFFFAOYSA-N 0 3 186.258 2.263 10 0 AEAEHN C1=C(c2ccccc2)NCCC1 141158035 572927584 /nfs/dbraw/zinc/92/75/84/572927584.db2.gz DENLOAFFAKFBAE-UHFFFAOYSA-N 0 3 159.232 2.411 10 0 AEAEHN CCCC[C@@H](C)N(C)[C@@H](C)C(C)=O 308202231 572928190 /nfs/dbraw/zinc/92/81/90/572928190.db2.gz QNTAYZCMYOLBDP-ZJUUUORDSA-N 0 3 185.311 2.474 10 0 AEAEHN CC[C@H](C)[C@@H](NC)c1ccccn1 86390508 572928191 /nfs/dbraw/zinc/92/81/91/572928191.db2.gz HQXUDBJAHKKYGB-GXSJLCMTSA-N 0 3 178.279 2.388 10 0 AEAEHN CC[C@H](C)C(=O)[C@@](C)(CC)N(C)C 86389238 572928312 /nfs/dbraw/zinc/92/83/12/572928312.db2.gz WGGKOSKRZZCFFL-GXSJLCMTSA-N 0 3 185.311 2.332 10 0 AEAEHN CC[C@H](C)C(=O)C(C)(C)N1CCCC1 86389213 572928364 /nfs/dbraw/zinc/92/83/64/572928364.db2.gz BIWNKPYPZDGWRP-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CCN[C@@H](c1ccncn1)[C@@H](C)CC 86391425 572928422 /nfs/dbraw/zinc/92/84/22/572928422.db2.gz PCFHDQGFKIKUSL-GXSJLCMTSA-N 0 3 193.294 2.173 10 0 AEAEHN CC[C@@H](C)[C@H](NC)c1ccccn1 86390502 572928462 /nfs/dbraw/zinc/92/84/62/572928462.db2.gz HQXUDBJAHKKYGB-KOLCDFICSA-N 0 3 178.279 2.388 10 0 AEAEHN CCN[C@@H](c1ccn(C)n1)[C@@H](C)CC 86391898 572929777 /nfs/dbraw/zinc/92/97/77/572929777.db2.gz COUKYBPVCHHHOY-GXSJLCMTSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H](C)C(=O)C1(N(C)C)CCCC1 86389305 572928495 /nfs/dbraw/zinc/92/84/95/572928495.db2.gz UTXFPNKEYKKJLT-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@H](C)C(=O)C1(N(C)C)CCCC1 86389307 572928590 /nfs/dbraw/zinc/92/85/90/572928590.db2.gz UTXFPNKEYKKJLT-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@H](C)C(=O)[C@](C)(CC)N(C)C 86389243 572928650 /nfs/dbraw/zinc/92/86/50/572928650.db2.gz WGGKOSKRZZCFFL-ONGXEEELSA-N 0 3 185.311 2.332 10 0 AEAEHN Cc1nc([C@@H](N)CC(C)C)ccc1N 713780163 572928770 /nfs/dbraw/zinc/92/87/70/572928770.db2.gz NTMWMNQLKKJYHJ-JTQLQIEISA-N 0 3 193.294 2.018 10 0 AEAEHN CC[C@@H](C)C(=O)[C@](C)(CC)N(C)C 86389240 572928773 /nfs/dbraw/zinc/92/87/73/572928773.db2.gz WGGKOSKRZZCFFL-KOLCDFICSA-N 0 3 185.311 2.332 10 0 AEAEHN CCN[C@H](c1ccn(C)n1)[C@@H](C)CC 86391893 572928985 /nfs/dbraw/zinc/92/89/85/572928985.db2.gz COUKYBPVCHHHOY-ONGXEEELSA-N 0 3 195.310 2.117 10 0 AEAEHN CCN[C@H](c1ccncn1)[C@@H](C)CC 86391419 572929097 /nfs/dbraw/zinc/92/90/97/572929097.db2.gz PCFHDQGFKIKUSL-ONGXEEELSA-N 0 3 193.294 2.173 10 0 AEAEHN CNC(C)(C)[C@@H](F)Cc1ccoc1 308201368 572929208 /nfs/dbraw/zinc/92/92/08/572929208.db2.gz QAKXQOTWZALIFK-VIFPVBQESA-N 0 3 185.242 2.158 10 0 AEAEHN CNC(C)(C)[C@H](F)Cc1ccoc1 308201367 572929281 /nfs/dbraw/zinc/92/92/81/572929281.db2.gz QAKXQOTWZALIFK-SECBINFHSA-N 0 3 185.242 2.158 10 0 AEAEHN CCCC[C@H](C)N(C)[C@@H](C)C(C)=O 308202221 572929322 /nfs/dbraw/zinc/92/93/22/572929322.db2.gz QNTAYZCMYOLBDP-UWVGGRQHSA-N 0 3 185.311 2.474 10 0 AEAEHN CCN[C@@H](c1ccn(C)n1)[C@H](C)CC 86391895 572929326 /nfs/dbraw/zinc/92/93/26/572929326.db2.gz COUKYBPVCHHHOY-MWLCHTKSSA-N 0 3 195.310 2.117 10 0 AEAEHN CCN[C@@H](c1ccncn1)[C@H](C)CC 86391421 572929456 /nfs/dbraw/zinc/92/94/56/572929456.db2.gz PCFHDQGFKIKUSL-MWLCHTKSSA-N 0 3 193.294 2.173 10 0 AEAEHN Cc1nc([C@H](N)CC(C)C)ccc1N 713780165 572929467 /nfs/dbraw/zinc/92/94/67/572929467.db2.gz NTMWMNQLKKJYHJ-SNVBAGLBSA-N 0 3 193.294 2.018 10 0 AEAEHN CC[C@H](C)[C@H](NC)c1ccccn1 86390503 572929492 /nfs/dbraw/zinc/92/94/92/572929492.db2.gz HQXUDBJAHKKYGB-ONGXEEELSA-N 0 3 178.279 2.388 10 0 AEAEHN CCN[C@H](c1ccn(C)n1)[C@H](C)CC 86391891 572929877 /nfs/dbraw/zinc/92/98/77/572929877.db2.gz COUKYBPVCHHHOY-KOLCDFICSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H](C)C(=O)C(C)(C)N1CCCC1 86389210 572929956 /nfs/dbraw/zinc/92/99/56/572929956.db2.gz BIWNKPYPZDGWRP-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCN[C@H](c1ccncn1)[C@H](C)CC 86391415 572929961 /nfs/dbraw/zinc/92/99/61/572929961.db2.gz PCFHDQGFKIKUSL-KOLCDFICSA-N 0 3 193.294 2.173 10 0 AEAEHN CC[C@@H](C)C(=O)[C@@](C)(CC)N(C)C 86389234 572930015 /nfs/dbraw/zinc/93/00/15/572930015.db2.gz WGGKOSKRZZCFFL-MWLCHTKSSA-N 0 3 185.311 2.332 10 0 AEAEHN FCCCN[C@@H]1COc2ccccc21 88024983 572930588 /nfs/dbraw/zinc/93/05/88/572930588.db2.gz OIFRNUZIIOUTMI-SNVBAGLBSA-N 0 3 195.237 2.069 10 0 AEAEHN FCCCN[C@H]1COc2ccccc21 88024984 572930608 /nfs/dbraw/zinc/93/06/08/572930608.db2.gz OIFRNUZIIOUTMI-JTQLQIEISA-N 0 3 195.237 2.069 10 0 AEAEHN CCNCc1cn([C@@H](C)CC)nc1C 86393941 572931439 /nfs/dbraw/zinc/93/14/39/572931439.db2.gz BBPXUDAXMGRSGS-VIFPVBQESA-N 0 3 195.310 2.272 10 0 AEAEHN CN[C@H](CC(F)(F)F)c1ccc[nH]1 308202329 572931822 /nfs/dbraw/zinc/93/18/22/572931822.db2.gz QQDXZIUSLQNXSF-SSDOTTSWSA-N 0 3 192.184 2.228 10 0 AEAEHN CN[C@@H](CC(F)(F)F)c1ccc[nH]1 308202330 572932046 /nfs/dbraw/zinc/93/20/46/572932046.db2.gz QQDXZIUSLQNXSF-ZETCQYMHSA-N 0 3 192.184 2.228 10 0 AEAEHN CCNCc1cn([C@H](C)CC)nc1C 86393939 572932352 /nfs/dbraw/zinc/93/23/52/572932352.db2.gz BBPXUDAXMGRSGS-SECBINFHSA-N 0 3 195.310 2.272 10 0 AEAEHN CN(CCCF)Cc1ccccc1N 88025683 572932608 /nfs/dbraw/zinc/93/26/08/572932608.db2.gz ANCASDXHRVENQC-UHFFFAOYSA-N 0 3 196.269 2.060 10 0 AEAEHN CC(C)SCCn1cccc1CN 308204684 572934443 /nfs/dbraw/zinc/93/44/43/572934443.db2.gz XQBDVRXAOUVITD-UHFFFAOYSA-N 0 3 198.335 2.088 10 0 AEAEHN CCN[C@@H](c1coc(C)n1)C(C)C 308206779 572934867 /nfs/dbraw/zinc/93/48/67/572934867.db2.gz ZMYIKADJDDVSSA-SNVBAGLBSA-N 0 3 182.267 2.290 10 0 AEAEHN CCc1ccc([C@H](N)[C@@H](O)CC)s1 308205702 572935182 /nfs/dbraw/zinc/93/51/82/572935182.db2.gz SRNBXSFAGLYIPU-WCBMZHEXSA-N 0 3 199.319 2.081 10 0 AEAEHN CCN[C@H](c1coc(C)n1)C(C)C 308206776 572935767 /nfs/dbraw/zinc/93/57/67/572935767.db2.gz ZMYIKADJDDVSSA-JTQLQIEISA-N 0 3 182.267 2.290 10 0 AEAEHN CN1C[C@H]2C[C@@]2(c2ccc(F)cc2)C1 255971015 572935805 /nfs/dbraw/zinc/93/58/05/572935805.db2.gz FCEZVCFFFLLXSG-PWSUYJOCSA-N 0 3 191.249 2.029 10 0 AEAEHN CN[C@@H](C)C(=O)CC1(C)CCCC1 308205683 572936338 /nfs/dbraw/zinc/93/63/38/572936338.db2.gz SQMMLOFBPNXOND-VIFPVBQESA-N 0 3 183.295 2.134 10 0 AEAEHN CN[C@H](C)C(=O)CC1(C)CCCC1 308205682 572936715 /nfs/dbraw/zinc/93/67/15/572936715.db2.gz SQMMLOFBPNXOND-SECBINFHSA-N 0 3 183.295 2.134 10 0 AEAEHN Cc1cccc2c1[C@@H](N)C=C2 57935281 572936786 /nfs/dbraw/zinc/93/67/86/572936786.db2.gz DCAYSWOIMXGKHQ-VIFPVBQESA-N 0 3 145.205 2.022 10 0 AEAEHN CCc1ccc2c(c1)C=C[C@@H]2N 57935347 572936829 /nfs/dbraw/zinc/93/68/29/572936829.db2.gz ZWFPAUPGGWNACW-NSHDSACASA-N 0 3 159.232 2.276 10 0 AEAEHN CCc1ccc([C@@H](N)[C@H](O)CC)s1 308205701 572936906 /nfs/dbraw/zinc/93/69/06/572936906.db2.gz SRNBXSFAGLYIPU-SCZZXKLOSA-N 0 3 199.319 2.081 10 0 AEAEHN Cc1ccc2c(c1)C=C[C@@H]2N 57935275 572936970 /nfs/dbraw/zinc/93/69/70/572936970.db2.gz CMZMDQAALFACNW-JTQLQIEISA-N 0 3 145.205 2.022 10 0 AEAEHN CC(C)c1ccc2c(c1)C(=O)C[C@@H]2N 57936676 572937288 /nfs/dbraw/zinc/93/72/88/572937288.db2.gz LXGRSZOJMBTHDS-NSHDSACASA-N 0 3 189.258 2.396 10 0 AEAEHN CC(C)C[C@@H](C)C(=O)CCN(C)C 308196128 572937381 /nfs/dbraw/zinc/93/73/81/572937381.db2.gz RBGDACGDRJZMGF-SNVBAGLBSA-N 0 3 185.311 2.189 10 0 AEAEHN Cc1cccc2c1[C@H](N)C=C2 57935278 572938701 /nfs/dbraw/zinc/93/87/01/572938701.db2.gz DCAYSWOIMXGKHQ-SECBINFHSA-N 0 3 145.205 2.022 10 0 AEAEHN COc1csc(CNC2CC2)c1 88028528 572938790 /nfs/dbraw/zinc/93/87/90/572938790.db2.gz DTWGTPIBCHPEDA-UHFFFAOYSA-N 0 3 183.276 2.009 10 0 AEAEHN CCC(=O)CN(CC)C[C@H](C)CC 86438026 572939132 /nfs/dbraw/zinc/93/91/32/572939132.db2.gz KABKTWJFHDTURS-SNVBAGLBSA-N 0 3 185.311 2.334 10 0 AEAEHN CC[C@H](C)CN(CC)CC(=O)C1CC1 86438100 572939249 /nfs/dbraw/zinc/93/92/49/572939249.db2.gz ZHIKMMUBYMVPHV-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCNCc1c[nH]nc1C1CCCC1 86442738 572939284 /nfs/dbraw/zinc/93/92/84/572939284.db2.gz FASQIBYJDPPPTO-UHFFFAOYSA-N 0 3 193.294 2.177 10 0 AEAEHN CC[C@@H](C)CN(CC)CC(=O)C1CC1 86438099 572939408 /nfs/dbraw/zinc/93/94/08/572939408.db2.gz ZHIKMMUBYMVPHV-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](C)CN(CC)[C@@H]1CCCC1=O 86438040 572939453 /nfs/dbraw/zinc/93/94/53/572939453.db2.gz XUVGSRDBULMSLG-WDEREUQCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)CN(CC)C[C@@H](C)CC 86438027 572939463 /nfs/dbraw/zinc/93/94/63/572939463.db2.gz KABKTWJFHDTURS-JTQLQIEISA-N 0 3 185.311 2.334 10 0 AEAEHN CC[C@@H](C)CN(CC)[C@@H]1CCCC1=O 86438038 572939757 /nfs/dbraw/zinc/93/97/57/572939757.db2.gz XUVGSRDBULMSLG-GHMZBOCLSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](C)CN(CC)[C@@H](C)C(C)=O 86438019 572939922 /nfs/dbraw/zinc/93/99/22/572939922.db2.gz LDVUHNWSWAJVSY-ZJUUUORDSA-N 0 3 185.311 2.332 10 0 AEAEHN CCCNCc1ncc(C)cc1C 308198400 572941126 /nfs/dbraw/zinc/94/11/26/572941126.db2.gz OHJNSGQIISXUBS-UHFFFAOYSA-N 0 3 178.279 2.198 10 0 AEAEHN Cc1nc2c(n1C(C)C)CCC[C@@H]2N 76089964 572942142 /nfs/dbraw/zinc/94/21/42/572942142.db2.gz VJJSAUPIOBZIHK-VIFPVBQESA-N 0 3 193.294 2.109 10 0 AEAEHN CCC[C@@H](N)c1ccc(CO)s1 713787088 572942548 /nfs/dbraw/zinc/94/25/48/572942548.db2.gz QJQBGMGQBITNBW-MRVPVSSYSA-N 0 3 185.292 2.040 10 0 AEAEHN CC(C)(C)c1oc2c(c1CN)COC2 214811077 572942561 /nfs/dbraw/zinc/94/25/61/572942561.db2.gz HJAQVYDBDHWVGZ-UHFFFAOYSA-N 0 3 195.262 2.066 10 0 AEAEHN CCC[C@H](N)c1ccc(CO)s1 713787092 572942717 /nfs/dbraw/zinc/94/27/17/572942717.db2.gz QJQBGMGQBITNBW-QMMMGPOBSA-N 0 3 185.292 2.040 10 0 AEAEHN Cc1cc(Cl)cc2c1[C@@H](N)CC2=O 713785270 572942823 /nfs/dbraw/zinc/94/28/23/572942823.db2.gz SWVBOVIQTNMIAD-QMMMGPOBSA-N 0 3 195.649 2.235 10 0 AEAEHN Cc1nc2c(n1C(C)C)CCC[C@H]2N 76089965 572943181 /nfs/dbraw/zinc/94/31/81/572943181.db2.gz VJJSAUPIOBZIHK-SECBINFHSA-N 0 3 193.294 2.109 10 0 AEAEHN Cc1cc(Cl)cc2c1[C@H](N)CC2=O 713785269 572943231 /nfs/dbraw/zinc/94/32/31/572943231.db2.gz SWVBOVIQTNMIAD-MRVPVSSYSA-N 0 3 195.649 2.235 10 0 AEAEHN CC(C)C(=O)CN(C)CCC1CCC1 688692079 572943448 /nfs/dbraw/zinc/94/34/48/572943448.db2.gz QLCNXCLNHRHQKC-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCN(C)c1cccc(F)c1CN 86476381 572943582 /nfs/dbraw/zinc/94/35/82/572943582.db2.gz UBZVZLDQVQJQPZ-UHFFFAOYSA-N 0 3 196.269 2.131 10 0 AEAEHN CCCNCc1nccn1CC(C)C 51005330 572945340 /nfs/dbraw/zinc/94/53/40/572945340.db2.gz AIAJIMKJPNZYRR-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CN(CCC1CCC1)[C@H]1CCCC1=O 688692092 572945952 /nfs/dbraw/zinc/94/59/52/572945952.db2.gz QVOQKVIQBQRLEM-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN CN(CCC1CCC1)[C@@H]1CCCC1=O 688692091 572946022 /nfs/dbraw/zinc/94/60/22/572946022.db2.gz QVOQKVIQBQRLEM-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN C/C=C/CN1CCCC[C@H]1CC(C)=O 86499206 572946762 /nfs/dbraw/zinc/94/67/62/572946762.db2.gz IVQGLGHMZLKOOR-PCAWENJQSA-N 0 3 195.306 2.396 10 0 AEAEHN CCCOC[C@@H]1NCc2ccccc21 86528201 572948834 /nfs/dbraw/zinc/94/88/34/572948834.db2.gz SLGPVSTZLPHHQD-LBPRGKRZSA-N 0 3 191.274 2.258 10 0 AEAEHN CCCOC[C@H]1NCc2ccccc21 86528200 572949047 /nfs/dbraw/zinc/94/90/47/572949047.db2.gz SLGPVSTZLPHHQD-GFCCVEGCSA-N 0 3 191.274 2.258 10 0 AEAEHN C/C=C\CN1CCCO[C@@H](CC)C1 308215345 572949963 /nfs/dbraw/zinc/94/99/63/572949963.db2.gz JBZGWUONKTXCBC-MZBZXASESA-N 0 3 183.295 2.063 10 0 AEAEHN CC(C)c1cc(NN)nc(C(C)C)n1 51153143 572951817 /nfs/dbraw/zinc/95/18/17/572951817.db2.gz VYBNZRXTUMUYHV-UHFFFAOYSA-N 0 3 194.282 2.009 10 0 AEAEHN Cc1cc2c(cc1Cl)C(=O)C[C@@H]2N 713794308 572951844 /nfs/dbraw/zinc/95/18/44/572951844.db2.gz DXXLVOLWKLYYMF-VIFPVBQESA-N 0 3 195.649 2.235 10 0 AEAEHN Cc1cc2c(cc1Cl)C(=O)C[C@H]2N 713794306 572952255 /nfs/dbraw/zinc/95/22/55/572952255.db2.gz DXXLVOLWKLYYMF-SECBINFHSA-N 0 3 195.649 2.235 10 0 AEAEHN Cc1nc(-c2ccccc2)c(CN)o1 58520702 572952380 /nfs/dbraw/zinc/95/23/80/572952380.db2.gz LKILRFHFMOYXHL-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CN[C@@H](COC)c1ccc(C)c(F)c1 86524335 572953013 /nfs/dbraw/zinc/95/30/13/572953013.db2.gz NYJKRBIJJNNPEH-NSHDSACASA-N 0 3 197.253 2.041 10 0 AEAEHN CC1(C)Cc2c(F)cccc2CN1 58519336 572953043 /nfs/dbraw/zinc/95/30/43/572953043.db2.gz QKQMYVNOLJMUOH-UHFFFAOYSA-N 0 3 179.238 2.250 10 0 AEAEHN Cc1ccc(-c2ncoc2CN)cc1 58520706 572953148 /nfs/dbraw/zinc/95/31/48/572953148.db2.gz QGPMGVRSRAMPTC-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CC(C)OC[C@@H](N)c1cccs1 86524124 572953425 /nfs/dbraw/zinc/95/34/25/572953425.db2.gz BXNUAILTWYQSIN-MRVPVSSYSA-N 0 3 185.292 2.173 10 0 AEAEHN CN[C@@H](COC(C)C)c1cccs1 86524126 572953633 /nfs/dbraw/zinc/95/36/33/572953633.db2.gz AVPVPNWLNLMJKF-VIFPVBQESA-N 0 3 199.319 2.434 10 0 AEAEHN CC(C)OC[C@@H](N)c1ccsc1 86524161 572953716 /nfs/dbraw/zinc/95/37/16/572953716.db2.gz WPOFIIPKALAUHY-SECBINFHSA-N 0 3 185.292 2.173 10 0 AEAEHN CC(C)OC[C@H](N)c1ccsc1 86524160 572953960 /nfs/dbraw/zinc/95/39/60/572953960.db2.gz WPOFIIPKALAUHY-VIFPVBQESA-N 0 3 185.292 2.173 10 0 AEAEHN CN[C@H](COC(C)C)c1ccsc1 86524277 572954040 /nfs/dbraw/zinc/95/40/40/572954040.db2.gz DTUWHPONKNOOKI-SNVBAGLBSA-N 0 3 199.319 2.434 10 0 AEAEHN CN[C@@H](COC(C)C)c1ccsc1 86524276 572954213 /nfs/dbraw/zinc/95/42/13/572954213.db2.gz DTUWHPONKNOOKI-JTQLQIEISA-N 0 3 199.319 2.434 10 0 AEAEHN CCOC[C@H](N)c1ccc(C)c(F)c1 86524184 572954247 /nfs/dbraw/zinc/95/42/47/572954247.db2.gz CIJXKGJWYZNYJF-NSHDSACASA-N 0 3 197.253 2.170 10 0 AEAEHN CN[C@H](COC)c1ccc(C)c(F)c1 86524334 572954392 /nfs/dbraw/zinc/95/43/92/572954392.db2.gz NYJKRBIJJNNPEH-LLVKDONJSA-N 0 3 197.253 2.041 10 0 AEAEHN CCOC[C@@H](N)c1ccc(C)c(F)c1 86524185 572954512 /nfs/dbraw/zinc/95/45/12/572954512.db2.gz CIJXKGJWYZNYJF-LLVKDONJSA-N 0 3 197.253 2.170 10 0 AEAEHN CN[C@H](COC(C)C)c1cccs1 86524127 572954531 /nfs/dbraw/zinc/95/45/31/572954531.db2.gz AVPVPNWLNLMJKF-SECBINFHSA-N 0 3 199.319 2.434 10 0 AEAEHN N[C@H]1CC(=O)c2c(F)cc(Cl)cc21 713794824 572954565 /nfs/dbraw/zinc/95/45/65/572954565.db2.gz HDIZBZOSGQZDIW-ZETCQYMHSA-N 0 3 199.612 2.065 10 0 AEAEHN CC(C)CCC[C@@]12CCCN1CCN2 238148713 572954934 /nfs/dbraw/zinc/95/49/34/572954934.db2.gz NGUXFZSTBUVYMV-LBPRGKRZSA-N 0 3 196.338 2.208 10 0 AEAEHN CC(C)CCC[C@]12CCCN1CCN2 238151405 572955055 /nfs/dbraw/zinc/95/50/55/572955055.db2.gz NGUXFZSTBUVYMV-GFCCVEGCSA-N 0 3 196.338 2.208 10 0 AEAEHN N[C@@H]1CC(=O)c2c(F)cc(Cl)cc21 713794822 572955421 /nfs/dbraw/zinc/95/54/21/572955421.db2.gz HDIZBZOSGQZDIW-SSDOTTSWSA-N 0 3 199.612 2.065 10 0 AEAEHN CC(C)CCN(CO)CCC(C)C 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XCUAUAXZJVHSTG-PSASIEDQSA-N 0 3 199.319 2.352 10 0 AEAEHN O=C1C=C2CCCCCCC2O1 196721802 572961452 /nfs/dbraw/zinc/96/14/52/572961452.db2.gz FTDXZGVQHWFIEV-VIFPVBQESA-N 0 3 166.220 2.192 10 0 AEAEHN O=C1C=C2CCCCCCC2O1 196721793 572961464 /nfs/dbraw/zinc/96/14/64/572961464.db2.gz FTDXZGVQHWFIEV-SECBINFHSA-N 0 3 166.220 2.192 10 0 AEAEHN CN[C@@H](c1ccccc1F)[C@H](C)OC 86577886 572961950 /nfs/dbraw/zinc/96/19/50/572961950.db2.gz ZPMNOYSYESRCJX-GZMMTYOYSA-N 0 3 197.253 2.121 10 0 AEAEHN Fc1ccncc1[C@H]1CCCCN1 713798047 572962088 /nfs/dbraw/zinc/96/20/88/572962088.db2.gz ANYIXNBPTOKZDA-SNVBAGLBSA-N 0 3 180.226 2.035 10 0 AEAEHN C=C/C=C\CCC(=O)[C@H](N)[C@@H](C)CC 713654109 572962178 /nfs/dbraw/zinc/96/21/78/572962178.db2.gz DCMOSKCRBSYXAV-ZHLQDTFKSA-N 0 3 195.306 2.451 10 0 AEAEHN CN[C@@H](c1ccsc1)[C@H](C)OC 86577941 572962207 /nfs/dbraw/zinc/96/22/07/572962207.db2.gz JVGUNKSMDVCYNN-IONNQARKSA-N 0 3 185.292 2.044 10 0 AEAEHN Cc1coc([C@@H](N)C(C)C)c1 208429404 572962237 /nfs/dbraw/zinc/96/22/37/572962237.db2.gz XKWQOSQBIJHLBI-VIFPVBQESA-N 0 3 153.225 2.244 10 0 AEAEHN CN[C@@H](c1cccc(C)c1)[C@@H](C)OC 86577840 572962275 /nfs/dbraw/zinc/96/22/75/572962275.db2.gz BFVMGPZZTHQGDV-ZYHUDNBSSA-N 0 3 193.290 2.290 10 0 AEAEHN CN[C@H](c1cccs1)[C@@H](C)OC 86578572 572964292 /nfs/dbraw/zinc/96/42/92/572964292.db2.gz PNULQBQLOGXYHC-APPZFPTMSA-N 0 3 185.292 2.044 10 0 AEAEHN CN[C@H](c1ccccc1F)[C@H](C)OC 86577882 572962316 /nfs/dbraw/zinc/96/23/16/572962316.db2.gz ZPMNOYSYESRCJX-KWQFWETISA-N 0 3 197.253 2.121 10 0 AEAEHN CN[C@H](c1cccc(C)c1)[C@H](C)OC 86577847 572962429 /nfs/dbraw/zinc/96/24/29/572962429.db2.gz BFVMGPZZTHQGDV-JQWIXIFHSA-N 0 3 193.290 2.290 10 0 AEAEHN C=C/C=C/CCC(=O)[C@H](N)[C@H](C)CC 713654100 572962456 /nfs/dbraw/zinc/96/24/56/572962456.db2.gz DCMOSKCRBSYXAV-PWBFPFQSSA-N 0 3 195.306 2.451 10 0 AEAEHN C=C/C=C\CCC(=O)[C@H](N)[C@H](C)CC 713654098 572962550 /nfs/dbraw/zinc/96/25/50/572962550.db2.gz DCMOSKCRBSYXAV-PCQKXGFJSA-N 0 3 195.306 2.451 10 0 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ZPMNOYSYESRCJX-KCJUWKMLSA-N 0 3 197.253 2.121 10 0 AEAEHN CN[C@H](c1cccc(C)c1)[C@@H](C)OC 86577842 572963377 /nfs/dbraw/zinc/96/33/77/572963377.db2.gz BFVMGPZZTHQGDV-PWSUYJOCSA-N 0 3 193.290 2.290 10 0 AEAEHN COc1c([C@H](F)CN)ccc(C)c1C 234942447 572963409 /nfs/dbraw/zinc/96/34/09/572963409.db2.gz JGQRTLXZLQEZNP-SNVBAGLBSA-N 0 3 197.253 2.281 10 0 AEAEHN Cc1ccc2c(c1Cl)[C@H](N)CC2=O 713798250 572963448 /nfs/dbraw/zinc/96/34/48/572963448.db2.gz YMFWJVVKRPFNRJ-SSDOTTSWSA-N 0 3 195.649 2.235 10 0 AEAEHN CN[C@H](c1ccsc1)[C@H](C)OC 86577937 572963506 /nfs/dbraw/zinc/96/35/06/572963506.db2.gz JVGUNKSMDVCYNN-CBAPKCEASA-N 0 3 185.292 2.044 10 0 AEAEHN CCN[C@@H](c1cccs1)[C@@H](C)OC 86579807 572963941 /nfs/dbraw/zinc/96/39/41/572963941.db2.gz CBVQAHYQFUZHJB-PSASIEDQSA-N 0 3 199.319 2.434 10 0 AEAEHN CCCN[C@@H](c1ccco1)[C@H](C)OC 86580016 572963952 /nfs/dbraw/zinc/96/39/52/572963952.db2.gz PYUKLWRFDGXJNI-GXSJLCMTSA-N 0 3 197.278 2.355 10 0 AEAEHN CCCN[C@@H](c1ccoc1)[C@H](C)OC 86590168 572963986 /nfs/dbraw/zinc/96/39/86/572963986.db2.gz PBEAFJBMWIRQBZ-GXSJLCMTSA-N 0 3 197.278 2.355 10 0 AEAEHN CCCN[C@H](c1ccco1)[C@@H](C)OC 86580014 572964072 /nfs/dbraw/zinc/96/40/72/572964072.db2.gz PYUKLWRFDGXJNI-KOLCDFICSA-N 0 3 197.278 2.355 10 0 AEAEHN CN[C@@H](c1cccs1)[C@@H](C)OC 86578577 572964136 /nfs/dbraw/zinc/96/41/36/572964136.db2.gz PNULQBQLOGXYHC-VXNVDRBHSA-N 0 3 185.292 2.044 10 0 AEAEHN CN[C@@H](c1cccs1)[C@H](C)OC 86578574 572964146 /nfs/dbraw/zinc/96/41/46/572964146.db2.gz PNULQBQLOGXYHC-IONNQARKSA-N 0 3 185.292 2.044 10 0 AEAEHN CCCN[C@H](c1ccoc1)[C@@H](C)OC 86590167 572964217 /nfs/dbraw/zinc/96/42/17/572964217.db2.gz PBEAFJBMWIRQBZ-KOLCDFICSA-N 0 3 197.278 2.355 10 0 AEAEHN CN[C@@H](c1ccc(F)cc1)[C@H](C)OC 86578183 572964338 /nfs/dbraw/zinc/96/43/38/572964338.db2.gz PSDZQTDWKHTZIE-GZMMTYOYSA-N 0 3 197.253 2.121 10 0 AEAEHN CCN[C@@H](c1ccsc1)[C@@H](C)OC 86579321 572964387 /nfs/dbraw/zinc/96/43/87/572964387.db2.gz XMFDRTZHQOYNDG-PSASIEDQSA-N 0 3 199.319 2.434 10 0 AEAEHN CN[C@@H](c1cccc(F)c1)[C@@H](C)OC 86578299 572964419 /nfs/dbraw/zinc/96/44/19/572964419.db2.gz PCJIJHKRDOJTME-LDYMZIIASA-N 0 3 197.253 2.121 10 0 AEAEHN CCN[C@H](c1ccsc1)[C@H](C)OC 86579334 572964424 /nfs/dbraw/zinc/96/44/24/572964424.db2.gz XMFDRTZHQOYNDG-WPRPVWTQSA-N 0 3 199.319 2.434 10 0 AEAEHN CCN[C@H](c1ccsc1)[C@@H](C)OC 86579323 572964478 /nfs/dbraw/zinc/96/44/78/572964478.db2.gz XMFDRTZHQOYNDG-SCZZXKLOSA-N 0 3 199.319 2.434 10 0 AEAEHN CCN[C@H](c1cccs1)[C@@H](C)OC 86579809 572964522 /nfs/dbraw/zinc/96/45/22/572964522.db2.gz CBVQAHYQFUZHJB-SCZZXKLOSA-N 0 3 199.319 2.434 10 0 AEAEHN CCCN[C@H](c1ccco1)[C@H](C)OC 86580019 572964527 /nfs/dbraw/zinc/96/45/27/572964527.db2.gz PYUKLWRFDGXJNI-ONGXEEELSA-N 0 3 197.278 2.355 10 0 AEAEHN CCCN[C@@H](c1ccoc1)[C@@H](C)OC 86590165 572964674 /nfs/dbraw/zinc/96/46/74/572964674.db2.gz PBEAFJBMWIRQBZ-MWLCHTKSSA-N 0 3 197.278 2.355 10 0 AEAEHN CN[C@H](c1cccc(F)c1)[C@H](C)OC 86578292 572964691 /nfs/dbraw/zinc/96/46/91/572964691.db2.gz PCJIJHKRDOJTME-KWQFWETISA-N 0 3 197.253 2.121 10 0 AEAEHN CN[C@H](c1ccc(F)cc1)[C@@H](C)OC 86578181 572964724 /nfs/dbraw/zinc/96/47/24/572964724.db2.gz PSDZQTDWKHTZIE-KCJUWKMLSA-N 0 3 197.253 2.121 10 0 AEAEHN CCN[C@H](c1cccs1)[C@H](C)OC 86579814 572964823 /nfs/dbraw/zinc/96/48/23/572964823.db2.gz CBVQAHYQFUZHJB-WPRPVWTQSA-N 0 3 199.319 2.434 10 0 AEAEHN CN[C@@H](c1ccc(F)cc1)[C@@H](C)OC 86578185 572965049 /nfs/dbraw/zinc/96/50/49/572965049.db2.gz PSDZQTDWKHTZIE-LDYMZIIASA-N 0 3 197.253 2.121 10 0 AEAEHN CN[C@@H](c1cccc(F)c1)[C@H](C)OC 86578296 572965084 /nfs/dbraw/zinc/96/50/84/572965084.db2.gz PCJIJHKRDOJTME-GZMMTYOYSA-N 0 3 197.253 2.121 10 0 AEAEHN CN[C@H](c1cccc(F)c1)[C@@H](C)OC 86578294 572965195 /nfs/dbraw/zinc/96/51/95/572965195.db2.gz PCJIJHKRDOJTME-KCJUWKMLSA-N 0 3 197.253 2.121 10 0 AEAEHN CCCN[C@@H](c1ccco1)[C@@H](C)OC 86580012 572965217 /nfs/dbraw/zinc/96/52/17/572965217.db2.gz PYUKLWRFDGXJNI-MWLCHTKSSA-N 0 3 197.278 2.355 10 0 AEAEHN CN[C@H](c1ccc(F)cc1)[C@H](C)OC 86578178 572965282 /nfs/dbraw/zinc/96/52/82/572965282.db2.gz PSDZQTDWKHTZIE-KWQFWETISA-N 0 3 197.253 2.121 10 0 AEAEHN CCCN[C@H](c1ccoc1)[C@H](C)OC 86590170 572965326 /nfs/dbraw/zinc/96/53/26/572965326.db2.gz PBEAFJBMWIRQBZ-ONGXEEELSA-N 0 3 197.278 2.355 10 0 AEAEHN CCN[C@@H](c1ccsc1)[C@H](C)OC 86579331 572965337 /nfs/dbraw/zinc/96/53/37/572965337.db2.gz XMFDRTZHQOYNDG-WCBMZHEXSA-N 0 3 199.319 2.434 10 0 AEAEHN CC[C@H](C)Oc1cc(C)ncc1CN 88116021 572966049 /nfs/dbraw/zinc/96/60/49/572966049.db2.gz LMZPHDBXXFTHPV-VIFPVBQESA-N 0 3 194.278 2.026 10 0 AEAEHN CCCCOc1cc(C)ncc1CN 88115960 572966384 /nfs/dbraw/zinc/96/63/84/572966384.db2.gz HSCBCAOJICDDLJ-UHFFFAOYSA-N 0 3 194.278 2.028 10 0 AEAEHN CCCCCOc1ccncc1CN 88115983 572967056 /nfs/dbraw/zinc/96/70/56/572967056.db2.gz FTJJDAHIJMFXEY-UHFFFAOYSA-N 0 3 194.278 2.109 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@H]2CCCCC[C@@H]21 687936912 572969386 /nfs/dbraw/zinc/96/93/86/572969386.db2.gz UYMOWULTNYFFOE-WCQGTBRESA-N 0 3 195.306 2.228 10 0 AEAEHN C=C/C=C\CCC(=O)[C@H]1CCCCN1 713656729 572969389 /nfs/dbraw/zinc/96/93/89/572969389.db2.gz MVYIBZJMPCNRER-DLRQAJBASA-N 0 3 193.290 2.220 10 0 AEAEHN C=C/C=C\CCC(=O)[C@@H]1CCCCN1 713656726 572969401 /nfs/dbraw/zinc/96/94/01/572969401.db2.gz MVYIBZJMPCNRER-BYCRGOAPSA-N 0 3 193.290 2.220 10 0 AEAEHN C=C/C=C/CCC(=O)[C@@H]1CCCCN1 713656757 572969421 /nfs/dbraw/zinc/96/94/21/572969421.db2.gz MVYIBZJMPCNRER-UFFNRZRYSA-N 0 3 193.290 2.220 10 0 AEAEHN C=C/C=C/CCC(=O)[C@H]1CCCCN1 713656750 572969462 /nfs/dbraw/zinc/96/94/62/572969462.db2.gz MVYIBZJMPCNRER-PGLGOXFNSA-N 0 3 193.290 2.220 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@@H]2CCCCC[C@H]21 687936914 572970134 /nfs/dbraw/zinc/97/01/34/572970134.db2.gz UYMOWULTNYFFOE-ZMLRMANQSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@@H]2CCCCC[C@@H]21 687936906 572970395 /nfs/dbraw/zinc/97/03/95/572970395.db2.gz UYMOWULTNYFFOE-DLOVCJGASA-N 0 3 195.306 2.228 10 0 AEAEHN CCOC[C@@H](N)c1cc(C)cc(F)c1 86693659 572970509 /nfs/dbraw/zinc/97/05/09/572970509.db2.gz PEVHUNBTPRYDDC-LLVKDONJSA-N 0 3 197.253 2.170 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@H]2CCCCC[C@H]21 687936909 572970554 /nfs/dbraw/zinc/97/05/54/572970554.db2.gz UYMOWULTNYFFOE-MVWJERBFSA-N 0 3 195.306 2.228 10 0 AEAEHN CN[C@@H](COC)c1cc(C)cc(F)c1 86693377 572970702 /nfs/dbraw/zinc/97/07/02/572970702.db2.gz WDEQLAPPGUUQIU-NSHDSACASA-N 0 3 197.253 2.041 10 0 AEAEHN CCOC[C@H](N)c1cc(C)cc(F)c1 86693657 572971154 /nfs/dbraw/zinc/97/11/54/572971154.db2.gz PEVHUNBTPRYDDC-NSHDSACASA-N 0 3 197.253 2.170 10 0 AEAEHN CN[C@H](COC)c1cc(C)cc(F)c1 86693376 572971216 /nfs/dbraw/zinc/97/12/16/572971216.db2.gz WDEQLAPPGUUQIU-LLVKDONJSA-N 0 3 197.253 2.041 10 0 AEAEHN C=C/C=C\CCC(=O)[C@@](C)(N)C1CC1 713662654 572971520 /nfs/dbraw/zinc/97/15/20/572971520.db2.gz ZOSWRRLQRVPWES-RXNFCKPNSA-N 0 3 193.290 2.205 10 0 AEAEHN C=C/C=C/CCC(=O)[C@](C)(N)C1CC1 713662665 572971870 /nfs/dbraw/zinc/97/18/70/572971870.db2.gz ZOSWRRLQRVPWES-ZYOFXKKJSA-N 0 3 193.290 2.205 10 0 AEAEHN Cc1cccc(CNC2CCC2)n1 51575711 572971902 /nfs/dbraw/zinc/97/19/02/572971902.db2.gz FGCJDLLHAIIBCU-UHFFFAOYSA-N 0 3 176.263 2.032 10 0 AEAEHN Cc1ccc(CN)c(OC2CCC2)c1 51581421 572971942 /nfs/dbraw/zinc/97/19/42/572971942.db2.gz QSNAODZLPVDATR-UHFFFAOYSA-N 0 3 191.274 2.385 10 0 AEAEHN CC(C)N1CCc2sc(N)cc2C1 59484834 572972737 /nfs/dbraw/zinc/97/27/37/572972737.db2.gz KCQSRSLOGNZLEU-UHFFFAOYSA-N 0 3 196.319 2.097 10 0 AEAEHN CCc1ccc([C@H](N)[C@@H]2C[C@@H]2C)o1 51726640 572976664 /nfs/dbraw/zinc/97/66/64/572976664.db2.gz YWSLLLWNQJPBCV-JVUFJMBOSA-N 0 3 179.263 2.498 10 0 AEAEHN CCc1ccc([C@H](N)C(C)C)o1 51726790 572976108 /nfs/dbraw/zinc/97/61/08/572976108.db2.gz PRTJQBUBFCDOIT-SNVBAGLBSA-N 0 3 167.252 2.498 10 0 AEAEHN CCC[C@H](NC)c1ccc(F)cn1 86706827 572976591 /nfs/dbraw/zinc/97/65/91/572976591.db2.gz CTZUQCQPFCXHAP-VIFPVBQESA-N 0 3 182.242 2.281 10 0 AEAEHN CCc1ccc([C@@H](N)C(C)C)o1 51726793 572977168 /nfs/dbraw/zinc/97/71/68/572977168.db2.gz PRTJQBUBFCDOIT-JTQLQIEISA-N 0 3 167.252 2.498 10 0 AEAEHN CCC[C@@H](NC)c1ccc(F)cn1 86706828 572977179 /nfs/dbraw/zinc/97/71/79/572977179.db2.gz CTZUQCQPFCXHAP-SECBINFHSA-N 0 3 182.242 2.281 10 0 AEAEHN C[C@@H]1CCN([C@@H]2CCCC2=O)[C@H](C)C1 51733914 572977891 /nfs/dbraw/zinc/97/78/91/572977891.db2.gz XLDNAPBXLUZHRP-GMTAPVOTSA-N 0 3 195.306 2.228 10 0 AEAEHN CCCC(=O)CN(C)CCC1CCC1 688692401 572978044 /nfs/dbraw/zinc/97/80/44/572978044.db2.gz VYWSCCYLRYTORZ-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CCCCN(CC(C)=O)C(C)C 238194975 572979787 /nfs/dbraw/zinc/97/97/87/572979787.db2.gz RMOFFVIGUKSPMC-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(C)(C)[NH2+]Cc1ccc([O-])cn1 86789915 572980275 /nfs/dbraw/zinc/98/02/75/572980275.db2.gz VJMIWOHRLQWDDE-UHFFFAOYSA-N 0 3 194.278 2.065 10 0 AEAEHN CCC[C@@H](C)[NH2+]Cc1ccc([O-])cn1 86790006 572980643 /nfs/dbraw/zinc/98/06/43/572980643.db2.gz NKOFGEVIBFGTLL-SECBINFHSA-N 0 3 194.278 2.065 10 0 AEAEHN CCCCCOc1ccc(CN)nc1 86789764 572980682 /nfs/dbraw/zinc/98/06/82/572980682.db2.gz BWOCRGVYFXLBAP-UHFFFAOYSA-N 0 3 194.278 2.109 10 0 AEAEHN CCCCC[NH2+]Cc1ccc([O-])cn1 86789999 572980974 /nfs/dbraw/zinc/98/09/74/572980974.db2.gz MGUOGGXARJLUCJ-UHFFFAOYSA-N 0 3 194.278 2.067 10 0 AEAEHN CCC[C@H](C)[NH2+]Cc1ccc([O-])cn1 86790010 572981127 /nfs/dbraw/zinc/98/11/27/572981127.db2.gz NKOFGEVIBFGTLL-VIFPVBQESA-N 0 3 194.278 2.065 10 0 AEAEHN CCC(CC)[NH2+]Cc1ccc([O-])cn1 86789946 572981254 /nfs/dbraw/zinc/98/12/54/572981254.db2.gz HTGSHQZJQMZWSE-UHFFFAOYSA-N 0 3 194.278 2.065 10 0 AEAEHN CCC[C@@H](C)[C@@H](NC)c1ncc[nH]1 233289693 572992744 /nfs/dbraw/zinc/99/27/44/572992744.db2.gz AOERZXUFVCTSME-RKDXNWHRSA-N 0 3 181.283 2.106 10 0 AEAEHN C[C@H]1OCC[C@]1(C)Nc1ccncc1 235678140 572992940 /nfs/dbraw/zinc/99/29/40/572992940.db2.gz NCEJSWTTZBDMOZ-KOLCDFICSA-N 0 3 192.262 2.061 10 0 AEAEHN CO[C@H](C)C[C@H](N)c1cccs1 128336784 572993061 /nfs/dbraw/zinc/99/30/61/572993061.db2.gz DLSFIHNTIMVLCL-SFYZADRCSA-N 0 3 185.292 2.173 10 0 AEAEHN COc1c(C2(N)CC2)ccc(C)c1F 258207411 572993275 /nfs/dbraw/zinc/99/32/75/572993275.db2.gz YYSDDNSJDIPMMK-UHFFFAOYSA-N 0 3 195.237 2.091 10 0 AEAEHN C[C@H](N)[C@H](F)Cc1ccc(F)cc1 257916714 572993427 /nfs/dbraw/zinc/99/34/27/572993427.db2.gz QXVSIGONAIHEAJ-OIBJUYFYSA-N 0 3 185.217 2.054 10 0 AEAEHN CN[C@H](C)c1ccc(N)cc1Cl 104525586 572993491 /nfs/dbraw/zinc/99/34/91/572993491.db2.gz BCAXAPLBJSNVAN-ZCFIWIBFSA-N 0 3 184.670 2.203 10 0 AEAEHN Cc1nc([C@@H]2CCCCN2)ccc1F 104525545 572993702 /nfs/dbraw/zinc/99/37/02/572993702.db2.gz LPFPFOCWMRRPFV-JTQLQIEISA-N 0 3 194.253 2.344 10 0 AEAEHN C[C@@H](N)[C@@H](F)Cc1ccc(F)cc1 257916717 572993847 /nfs/dbraw/zinc/99/38/47/572993847.db2.gz QXVSIGONAIHEAJ-XCBNKYQSSA-N 0 3 185.217 2.054 10 0 AEAEHN CO[C@@H](C)C[C@@H](N)c1cccs1 128336995 572993876 /nfs/dbraw/zinc/99/38/76/572993876.db2.gz DLSFIHNTIMVLCL-JGVFFNPUSA-N 0 3 185.292 2.173 10 0 AEAEHN CC(C)[C@@H](N)c1ccc(N(C)C)o1 104524870 572994100 /nfs/dbraw/zinc/99/41/00/572994100.db2.gz AHYCEJRRXGCADZ-SNVBAGLBSA-N 0 3 182.267 2.001 10 0 AEAEHN C[C@@H](N)c1cccc(OC(C)(C)C)n1 104527013 572994440 /nfs/dbraw/zinc/99/44/40/572994440.db2.gz UIVYLLZTMZHHRM-MRVPVSSYSA-N 0 3 194.278 2.279 10 0 AEAEHN CCNc1cc(NC)nc(C(C)C)n1 87908956 572994851 /nfs/dbraw/zinc/99/48/51/572994851.db2.gz KKJDUGQOTJXSSJ-UHFFFAOYSA-N 0 3 194.282 2.074 10 0 AEAEHN [NH3+]Cc1csc2c([O-])cccc12 257917453 572995081 /nfs/dbraw/zinc/99/50/81/572995081.db2.gz CQLZFOXPHHZAOD-UHFFFAOYSA-N 0 3 179.244 2.066 10 0 AEAEHN CNCOC1C2CC3CC(C2)CC1C3 104528669 572995098 /nfs/dbraw/zinc/99/50/98/572995098.db2.gz FMGNEQQFXBJGMF-UHFFFAOYSA-N 0 3 195.306 2.005 10 0 AEAEHN CO[C@@H](C)C[C@H](N)c1cccs1 128336580 572995411 /nfs/dbraw/zinc/99/54/11/572995411.db2.gz DLSFIHNTIMVLCL-YUMQZZPRSA-N 0 3 185.292 2.173 10 0 AEAEHN Cc1nc([C@H](N)C(C)C)ccc1F 104524508 572996013 /nfs/dbraw/zinc/99/60/13/572996013.db2.gz BDZJSHNDJFMGNE-SNVBAGLBSA-N 0 3 182.242 2.185 10 0 AEAEHN C[C@H](N)[C@@H](F)Cc1ccc(F)cc1 257916719 572995839 /nfs/dbraw/zinc/99/58/39/572995839.db2.gz QXVSIGONAIHEAJ-XVKPBYJWSA-N 0 3 185.217 2.054 10 0 AEAEHN CO[C@H](C)C[C@@H](N)c1cccs1 128337253 572995858 /nfs/dbraw/zinc/99/58/58/572995858.db2.gz DLSFIHNTIMVLCL-HTQZYQBOSA-N 0 3 185.292 2.173 10 0 AEAEHN Fc1cccc([C@@H]2CCCCN2)n1 104526004 572996652 /nfs/dbraw/zinc/99/66/52/572996652.db2.gz FSDCORYMKPHRIH-QMMMGPOBSA-N 0 3 180.226 2.035 10 0 AEAEHN CC=C=C[C@H](N)c1ccccc1 238242069 572997140 /nfs/dbraw/zinc/99/71/40/572997140.db2.gz SCTNYMFHQQUUEX-TVDHLFLSSA-N 0 3 159.232 2.418 10 0 AEAEHN Fc1cnccc1[C@@H]1CCCCN1 104528163 572997416 /nfs/dbraw/zinc/99/74/16/572997416.db2.gz CBYQPMIRNKSDFA-JTQLQIEISA-N 0 3 180.226 2.035 10 0 AEAEHN CC=C=C[C@@H](N)c1ccccc1 238241842 572997611 /nfs/dbraw/zinc/99/76/11/572997611.db2.gz SCTNYMFHQQUUEX-UQQBYHSWSA-N 0 3 159.232 2.418 10 0 AEAEHN Cc1cc(CCCC[NH3+])cc([O-])c1F 258211993 572998011 /nfs/dbraw/zinc/99/80/11/572998011.db2.gz ZNYSXFSSUFHQFN-UHFFFAOYSA-N 0 3 197.253 2.121 10 0 AEAEHN Fc1ccc([C@@H]2CCCCN2)cn1 104527031 572998145 /nfs/dbraw/zinc/99/81/45/572998145.db2.gz QWLQAXDZGYEGHM-VIFPVBQESA-N 0 3 180.226 2.035 10 0 AEAEHN CC(C)Nc1cc(N)nc(C(C)C)n1 87908917 572998163 /nfs/dbraw/zinc/99/81/63/572998163.db2.gz JTLHVRZSFWEROO-UHFFFAOYSA-N 0 3 194.282 2.003 10 0 AEAEHN CCC[C@H](N)c1c(C)cc(C)nc1N 238241463 572998339 /nfs/dbraw/zinc/99/83/39/572998339.db2.gz FXPOMDQVXSTGKZ-VIFPVBQESA-N 0 3 193.294 2.081 10 0 AEAEHN CC(=O)CC1=CCN(C(C)C)CC1 258210067 572998491 /nfs/dbraw/zinc/99/84/91/572998491.db2.gz VDNKLFXEAHHKDE-UHFFFAOYSA-N 0 3 181.279 2.006 10 0 AEAEHN CCC1Oc2c(F)ccc(C)c2C1=O 113295336 572998586 /nfs/dbraw/zinc/99/85/86/572998586.db2.gz RJRWAPXXRGZMBC-QMMMGPOBSA-N 0 3 194.205 2.488 10 0 AEAEHN CC(C)n1cnc(CNC2CCC2)c1 258211255 572999323 /nfs/dbraw/zinc/99/93/23/572999323.db2.gz OUUYEXFZSBVJJA-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN Cc1ccc(CC(C)(C)[NH3+])c([O-])c1F 258209748 573000894 /nfs/dbraw/zinc/00/08/94/573000894.db2.gz ZFMNOYRMCCDRHN-UHFFFAOYSA-N 0 3 197.253 2.120 10 0 AEAEHN Cc1cccc([C@H](F)C2(N)CC2)c1 257918330 573000944 /nfs/dbraw/zinc/00/09/44/573000944.db2.gz RCOKPOBGPATSMM-JTQLQIEISA-N 0 3 179.238 2.497 10 0 AEAEHN CSc1c([O-])cccc1[C@H](C)[NH3+] 258211957 573001802 /nfs/dbraw/zinc/00/18/02/573001802.db2.gz ZNLUKSMHTRWNOU-LURJTMIESA-N 0 3 183.276 2.134 10 0 AEAEHN CC(=O)CCC1=CCN(C(C)C)CC1 257919730 573002022 /nfs/dbraw/zinc/00/20/22/573002022.db2.gz BWSBZPBTMADHMA-UHFFFAOYSA-N 0 3 195.306 2.396 10 0 AEAEHN CC[C@@H](CCOC)NCc1ccco1 308473626 573003991 /nfs/dbraw/zinc/00/39/91/573003991.db2.gz AHKMMOQOBUMYGW-JTQLQIEISA-N 0 3 197.278 2.184 10 0 AEAEHN CCC[C@H](N)c1cc(F)ncc1F 238245064 573004135 /nfs/dbraw/zinc/00/41/35/573004135.db2.gz RSDPUVMRRJTMKI-QMMMGPOBSA-N 0 3 186.205 2.160 10 0 AEAEHN CCCN[C@@H](COCC)c1ccc[nH]1 308473973 573004149 /nfs/dbraw/zinc/00/41/49/573004149.db2.gz KICVRDVLFPXHDD-NSHDSACASA-N 0 3 196.294 2.092 10 0 AEAEHN CCCN[C@H](COCC)c1ccc[nH]1 308473972 573004299 /nfs/dbraw/zinc/00/42/99/573004299.db2.gz KICVRDVLFPXHDD-LLVKDONJSA-N 0 3 196.294 2.092 10 0 AEAEHN C[C@@H](N)c1cccc2ncc(Cl)n12 107186218 573004327 /nfs/dbraw/zinc/00/43/27/573004327.db2.gz KSAJYPNKXGSMOA-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN CCCC1(O)CN(CC(CC)CC)C1 128357739 573004968 /nfs/dbraw/zinc/00/49/68/573004968.db2.gz RJWLJUDIMHKVGO-UHFFFAOYSA-N 0 3 199.338 2.269 10 0 AEAEHN CCOCCCCNc1ccncc1 308472955 573005018 /nfs/dbraw/zinc/00/50/18/573005018.db2.gz ADTNAMKMSROBMI-UHFFFAOYSA-N 0 3 194.278 2.310 10 0 AEAEHN Cc1ccc(C[C@@H](F)[C@@H](C)N)cc1 257923692 573005290 /nfs/dbraw/zinc/00/52/90/573005290.db2.gz RVIXRMOYFCXQIV-MWLCHTKSSA-N 0 3 181.254 2.223 10 0 AEAEHN Cc1ccc(CCC[NH3+])c(Cl)c1[O-] 258215673 573005309 /nfs/dbraw/zinc/00/53/09/573005309.db2.gz UJLPGSBTIMLOQU-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN CC[C@@H](NC1(C)CC1)c1cnn(C)c1 308472315 573005709 /nfs/dbraw/zinc/00/57/09/573005709.db2.gz AAMWYPOIIFRZNT-SNVBAGLBSA-N 0 3 193.294 2.013 10 0 AEAEHN Cc1ccc(C[C@H](F)[C@@H](C)N)cc1 257923690 573007128 /nfs/dbraw/zinc/00/71/28/573007128.db2.gz RVIXRMOYFCXQIV-KOLCDFICSA-N 0 3 181.254 2.223 10 0 AEAEHN CCN(CCCF)Cc1ccco1 308221485 573007129 /nfs/dbraw/zinc/00/71/29/573007129.db2.gz LJPUTGNAXNUFGD-UHFFFAOYSA-N 0 3 185.242 2.461 10 0 AEAEHN Cc1ccc(C[C@H](F)[C@H](C)N)cc1 257923694 573007281 /nfs/dbraw/zinc/00/72/81/573007281.db2.gz RVIXRMOYFCXQIV-ONGXEEELSA-N 0 3 181.254 2.223 10 0 AEAEHN CC[C@H](NC1(C)CC1)c1cnn(C)c1 308472314 573007887 /nfs/dbraw/zinc/00/78/87/573007887.db2.gz AAMWYPOIIFRZNT-JTQLQIEISA-N 0 3 193.294 2.013 10 0 AEAEHN CC[C@H](CCOC)NCc1ccco1 308473630 573008053 /nfs/dbraw/zinc/00/80/53/573008053.db2.gz AHKMMOQOBUMYGW-SNVBAGLBSA-N 0 3 197.278 2.184 10 0 AEAEHN CNCc1cccc(C)c1OC1CC1 308473143 573008336 /nfs/dbraw/zinc/00/83/36/573008336.db2.gz JKPSAHFACLYRAK-UHFFFAOYSA-N 0 3 191.274 2.256 10 0 AEAEHN CCCc1nc([C@@H]2CCCCN2)c[nH]1 238252324 573008398 /nfs/dbraw/zinc/00/83/98/573008398.db2.gz AAAFQGDJACNBOR-VIFPVBQESA-N 0 3 193.294 2.177 10 0 AEAEHN CCCc1ncc([C@@H]2CCCCN2)[nH]1 238252324 573008400 /nfs/dbraw/zinc/00/84/00/573008400.db2.gz AAAFQGDJACNBOR-VIFPVBQESA-N 0 3 193.294 2.177 10 0 AEAEHN CCN[C@@H](CSCC)c1ccc[nH]1 308222179 573008673 /nfs/dbraw/zinc/00/86/73/573008673.db2.gz OVGXTQQXZDTFGT-JTQLQIEISA-N 0 3 198.335 2.418 10 0 AEAEHN C[C@H](N[C@H](C)C1CC1)c1ccon1 308222136 573008729 /nfs/dbraw/zinc/00/87/29/573008729.db2.gz CPQIZTUMJIMHHY-SFYZADRCSA-N 0 3 180.251 2.124 10 0 AEAEHN CCN[C@H](CSCC)c1ccc[nH]1 308222183 573009385 /nfs/dbraw/zinc/00/93/85/573009385.db2.gz OVGXTQQXZDTFGT-SNVBAGLBSA-N 0 3 198.335 2.418 10 0 AEAEHN Fc1ccc2c(c1)CC1(CC1)NC2 259598823 573009610 /nfs/dbraw/zinc/00/96/10/573009610.db2.gz CZCQURIILBJOTC-UHFFFAOYSA-N 0 3 177.222 2.004 10 0 AEAEHN Cc1cc([O-])c(Cl)c(CCC[NH3+])c1 258222283 573009919 /nfs/dbraw/zinc/00/99/19/573009919.db2.gz VCDOVOFBLCRMBO-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN C[C@H](N[C@H](C)c1ccon1)C1CC1 308222132 573010327 /nfs/dbraw/zinc/01/03/27/573010327.db2.gz CPQIZTUMJIMHHY-JGVFFNPUSA-N 0 3 180.251 2.124 10 0 AEAEHN CN[C@@H](C)c1cnc(CC(C)C)o1 258219681 573010606 /nfs/dbraw/zinc/01/06/06/573010606.db2.gz UZALXYNCSBGEEW-QMMMGPOBSA-N 0 3 182.267 2.154 10 0 AEAEHN C[C@@H](N[C@H](C)C1CC1)c1ccon1 308222126 573011875 /nfs/dbraw/zinc/01/18/75/573011875.db2.gz CPQIZTUMJIMHHY-HTQZYQBOSA-N 0 3 180.251 2.124 10 0 AEAEHN CN[C@H](C)c1cnc(CC(C)C)o1 258219677 573012464 /nfs/dbraw/zinc/01/24/64/573012464.db2.gz UZALXYNCSBGEEW-MRVPVSSYSA-N 0 3 182.267 2.154 10 0 AEAEHN CCN[C@H](C)c1cnccc1OCC 308475145 573012566 /nfs/dbraw/zinc/01/25/66/573012566.db2.gz KFVXXAJIBHOFNQ-SECBINFHSA-N 0 3 194.278 2.151 10 0 AEAEHN Fc1ccc2c(c1)C1(CC1)NCCC2 259595355 573012716 /nfs/dbraw/zinc/01/27/16/573012716.db2.gz CWCHYBFGTLKGEW-UHFFFAOYSA-N 0 3 191.249 2.351 10 0 AEAEHN C=C=C[C@H](N)c1ccccc1 104558264 573012776 /nfs/dbraw/zinc/01/27/76/573012776.db2.gz TWSCZIJOLDJJQC-JTQLQIEISA-N 0 3 145.205 2.028 10 0 AEAEHN O=C1CCN[C@H](C2CCCCCC2)C1 258219062 573013314 /nfs/dbraw/zinc/01/33/14/573013314.db2.gz YHCMTOGVZXTVQW-LBPRGKRZSA-N 0 3 195.306 2.278 10 0 AEAEHN CSc1ccc(F)c(C2(N)CC2)c1 259595178 573015795 /nfs/dbraw/zinc/01/57/95/573015795.db2.gz ZFXUXMGREDBEPS-UHFFFAOYSA-N 0 3 197.278 2.495 10 0 AEAEHN CCCc1nc([C@H]2CCCCN2)c[nH]1 238252581 573015894 /nfs/dbraw/zinc/01/58/94/573015894.db2.gz AAAFQGDJACNBOR-SECBINFHSA-N 0 3 193.294 2.177 10 0 AEAEHN CCCc1ncc([C@H]2CCCCN2)[nH]1 238252581 573015897 /nfs/dbraw/zinc/01/58/97/573015897.db2.gz AAAFQGDJACNBOR-SECBINFHSA-N 0 3 193.294 2.177 10 0 AEAEHN CC1(C)C[C@H](N)c2cccc(F)c2O1 82386559 573016101 /nfs/dbraw/zinc/01/61/01/573016101.db2.gz XGCZNKKURZONPB-VIFPVBQESA-N 0 3 195.237 2.387 10 0 AEAEHN C[C@H]1CSc2cccc(CN)c2N1 259311317 573017577 /nfs/dbraw/zinc/01/75/77/573017577.db2.gz RIYJXOAKIPACLJ-ZETCQYMHSA-N 0 3 194.303 2.051 10 0 AEAEHN CC(C)[NH2+]Cc1ccc(F)c([O-])c1 258223612 573018412 /nfs/dbraw/zinc/01/84/12/573018412.db2.gz XWNFNPIBRPUGPN-UHFFFAOYSA-N 0 3 183.226 2.029 10 0 AEAEHN C[C@@H]1CSc2cccc(CN)c2N1 259311310 573018423 /nfs/dbraw/zinc/01/84/23/573018423.db2.gz RIYJXOAKIPACLJ-SSDOTTSWSA-N 0 3 194.303 2.051 10 0 AEAEHN CC1=C[C@H](N)c2ccccc21 113689573 573021266 /nfs/dbraw/zinc/02/12/66/573021266.db2.gz AYVIIQGIWMUGGV-JTQLQIEISA-N 0 3 145.205 2.103 10 0 AEAEHN CC1=C[C@H](N)c2ccc(C)cc21 113689578 573021531 /nfs/dbraw/zinc/02/15/31/573021531.db2.gz POJZTQXRRPAVSG-NSHDSACASA-N 0 3 159.232 2.412 10 0 AEAEHN CCN1C(C)=C[C@H](N)c2ccccc21 113685109 573021954 /nfs/dbraw/zinc/02/19/54/573021954.db2.gz MKMNWGOXSKLOJZ-NSHDSACASA-N 0 3 188.274 2.430 10 0 AEAEHN COc1ccc(CNC2(C)CC2)s1 308484876 573022071 /nfs/dbraw/zinc/02/20/71/573022071.db2.gz OQVQSZMFQGUZBS-UHFFFAOYSA-N 0 3 197.303 2.399 10 0 AEAEHN Cc1nc([C@@H](N)CC2CC2)cs1 82394976 573022246 /nfs/dbraw/zinc/02/22/46/573022246.db2.gz ZOHXICFJJLSJBF-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN CC1=C[C@@H](N)c2ccccc2N1C 113685104 573022375 /nfs/dbraw/zinc/02/23/75/573022375.db2.gz DTMSHWHGEALQPM-SNVBAGLBSA-N 0 3 174.247 2.040 10 0 AEAEHN COc1ccc2c(c1)C(C)=C[C@H]2N 113689586 573022516 /nfs/dbraw/zinc/02/25/16/573022516.db2.gz WPHJFFXALZUUDO-LLVKDONJSA-N 0 3 175.231 2.112 10 0 AEAEHN Cc1nc([C@H](N)CC2CC2)cs1 82394975 573022685 /nfs/dbraw/zinc/02/26/85/573022685.db2.gz ZOHXICFJJLSJBF-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN CC1=C[C@H](N)c2cc(C)ccc2N1C 113685114 573022842 /nfs/dbraw/zinc/02/28/42/573022842.db2.gz DZJLNAUAEULBSN-NSHDSACASA-N 0 3 188.274 2.348 10 0 AEAEHN CC1=C[C@H](N)c2cccc(C)c2N1C 113685206 573022968 /nfs/dbraw/zinc/02/29/68/573022968.db2.gz OJAJXPPKNBJAEI-NSHDSACASA-N 0 3 188.274 2.348 10 0 AEAEHN CC1=C[C@@H](N)c2ccc(C)cc21 113689581 573023713 /nfs/dbraw/zinc/02/37/13/573023713.db2.gz POJZTQXRRPAVSG-LLVKDONJSA-N 0 3 159.232 2.412 10 0 AEAEHN CCN1C(C)=C[C@@H](N)c2ccccc21 113685107 573023759 /nfs/dbraw/zinc/02/37/59/573023759.db2.gz MKMNWGOXSKLOJZ-LLVKDONJSA-N 0 3 188.274 2.430 10 0 AEAEHN CCN1CC=C(CCC(C)=O)CC1 258227366 573024391 /nfs/dbraw/zinc/02/43/91/573024391.db2.gz WEJKZTIHAYYJHS-UHFFFAOYSA-N 0 3 181.279 2.008 10 0 AEAEHN COc1ccc2c(c1)C(C)=C[C@@H]2N 113689584 573024452 /nfs/dbraw/zinc/02/44/52/573024452.db2.gz WPHJFFXALZUUDO-NSHDSACASA-N 0 3 175.231 2.112 10 0 AEAEHN CC1=C[C@@H](N)c2ccccc21 113689576 573025370 /nfs/dbraw/zinc/02/53/70/573025370.db2.gz AYVIIQGIWMUGGV-SNVBAGLBSA-N 0 3 145.205 2.103 10 0 AEAEHN CC1=C[C@@H](N)c2cccc(C)c2N1C 113685208 573025456 /nfs/dbraw/zinc/02/54/56/573025456.db2.gz OJAJXPPKNBJAEI-LLVKDONJSA-N 0 3 188.274 2.348 10 0 AEAEHN Cc1nc([C@H](N)CC(C)C)cs1 82392993 573025809 /nfs/dbraw/zinc/02/58/09/573025809.db2.gz FJZZCQQECPWZCQ-MRVPVSSYSA-N 0 3 184.308 2.497 10 0 AEAEHN [O-]c1ccc([C@H]2CC[NH2+]2)c(Cl)c1 104575344 573026534 /nfs/dbraw/zinc/02/65/34/573026534.db2.gz JDTUDMYWPWYXAQ-SECBINFHSA-N 0 3 183.638 2.080 10 0 AEAEHN C[C@@H](CCc1ccco1)N1CCC1 308228696 573028136 /nfs/dbraw/zinc/02/81/36/573028136.db2.gz FUUJWTDLEDYZAM-JTQLQIEISA-N 0 3 179.263 2.306 10 0 AEAEHN CCc1cccc(F)c1[C@H]1CCN1 104578013 573028231 /nfs/dbraw/zinc/02/82/31/573028231.db2.gz LEZHAUPHFZSWPZ-SNVBAGLBSA-N 0 3 179.238 2.423 10 0 AEAEHN CCC(CC)[C@@H](N)c1cnc(C)n1C 308477170 573028364 /nfs/dbraw/zinc/02/83/64/573028364.db2.gz LNQQDHRSQOQYHC-LLVKDONJSA-N 0 3 195.310 2.165 10 0 AEAEHN Cc1cccc(F)c1[C@@H]1CCN1 104577453 573029544 /nfs/dbraw/zinc/02/95/44/573029544.db2.gz WZIQQXYZTOCVLN-VIFPVBQESA-N 0 3 165.211 2.169 10 0 AEAEHN CN(C)C(C)(C)c1cccc(O)c1 113780687 573030723 /nfs/dbraw/zinc/03/07/23/573030723.db2.gz FDPJFTDCIBIYRW-UHFFFAOYSA-N 0 3 179.263 2.189 10 0 AEAEHN CC[C@]1(c2ccccn2)CCCCN1 258230150 573031482 /nfs/dbraw/zinc/03/14/82/573031482.db2.gz PIYMWRNDMSKGPG-GFCCVEGCSA-N 0 3 190.290 2.460 10 0 AEAEHN CCOC1=CCc2ccccc2[C@H]1N 238256771 573031955 /nfs/dbraw/zinc/03/19/55/573031955.db2.gz UMTIQCIBFNFGFZ-GFCCVEGCSA-N 0 3 189.258 2.163 10 0 AEAEHN CC[C@@]1(c2ccccn2)CCCCN1 258230151 573032216 /nfs/dbraw/zinc/03/22/16/573032216.db2.gz PIYMWRNDMSKGPG-LBPRGKRZSA-N 0 3 190.290 2.460 10 0 AEAEHN Cc1cccc(F)c1[C@H]1CCN1 104577455 573032700 /nfs/dbraw/zinc/03/27/00/573032700.db2.gz WZIQQXYZTOCVLN-SECBINFHSA-N 0 3 165.211 2.169 10 0 AEAEHN CC(C)c1cnc(Cl)c(CN)c1 257930810 573032732 /nfs/dbraw/zinc/03/27/32/573032732.db2.gz SWMIFZGCCBNOMV-UHFFFAOYSA-N 0 3 184.670 2.317 10 0 AEAEHN CNCc1cccc(F)c1OC1CC1 308485544 573032836 /nfs/dbraw/zinc/03/28/36/573032836.db2.gz OCMCRVWCQUPCAP-UHFFFAOYSA-N 0 3 195.237 2.086 10 0 AEAEHN CCC[C@H](N)c1cnc(Cl)cc1N 238249919 573032993 /nfs/dbraw/zinc/03/29/93/573032993.db2.gz IIOFAOMWOOCWPZ-ZETCQYMHSA-N 0 3 199.685 2.117 10 0 AEAEHN CCCC[C@H](C)C[C@H]1COCCN1 308232702 573033409 /nfs/dbraw/zinc/03/34/09/573033409.db2.gz UJEDTFHYZPIYSK-QWRGUYRKSA-N 0 3 185.311 2.191 10 0 AEAEHN CCC[C@@H](N)c1cccc(F)c1N 104577626 573033789 /nfs/dbraw/zinc/03/37/89/573033789.db2.gz FUQWKPDVVZTTKM-SECBINFHSA-N 0 3 182.242 2.208 10 0 AEAEHN CCC[C@H](N)c1cccc2ccnn12 238249267 573033841 /nfs/dbraw/zinc/03/38/41/573033841.db2.gz CQZNDHKNMVVWJL-JTQLQIEISA-N 0 3 189.262 2.134 10 0 AEAEHN O=C1C2(CCCC2)CNC12CCCC2 141816728 573033887 /nfs/dbraw/zinc/03/38/87/573033887.db2.gz IXLXDUKTXXPQPO-UHFFFAOYSA-N 0 3 193.290 2.032 10 0 AEAEHN CCC[C@H]([NH3+])c1cccc([O-])c1F 238249079 573034195 /nfs/dbraw/zinc/03/41/95/573034195.db2.gz AAQVFNWGZGWCBV-QMMMGPOBSA-N 0 3 183.226 2.331 10 0 AEAEHN CC(C)[C@@H](N)c1c(N)cccc1F 104580721 573034480 /nfs/dbraw/zinc/03/44/80/573034480.db2.gz JLIYRPIZBGNDGE-SNVBAGLBSA-N 0 3 182.242 2.064 10 0 AEAEHN CCCC[C@@H](C)C[C@H]1COCCN1 308232699 573034623 /nfs/dbraw/zinc/03/46/23/573034623.db2.gz UJEDTFHYZPIYSK-MNOVXSKESA-N 0 3 185.311 2.191 10 0 AEAEHN CCC[C@@H](N)c1c(N)cccc1F 104580728 573034680 /nfs/dbraw/zinc/03/46/80/573034680.db2.gz QXBURJPPBNOUPO-MRVPVSSYSA-N 0 3 182.242 2.208 10 0 AEAEHN CCC[C@H](N)c1c(N)cccc1F 104580724 573034760 /nfs/dbraw/zinc/03/47/60/573034760.db2.gz QXBURJPPBNOUPO-QMMMGPOBSA-N 0 3 182.242 2.208 10 0 AEAEHN CCSc1cc(C)nc(C)c1CN 87975460 573035043 /nfs/dbraw/zinc/03/50/43/573035043.db2.gz KMIXYJRIICKWKW-UHFFFAOYSA-N 0 3 196.319 2.269 10 0 AEAEHN CCC[C@H]([NH3+])c1ccc(F)c([O-])c1 104580663 573035177 /nfs/dbraw/zinc/03/51/77/573035177.db2.gz OFJAEOKVDBRRHV-VIFPVBQESA-N 0 3 183.226 2.331 10 0 AEAEHN CCC(CC)(CC)CNC1COC1 308232593 573035323 /nfs/dbraw/zinc/03/53/23/573035323.db2.gz PMDMZNZSUNSAQM-UHFFFAOYSA-N 0 3 185.311 2.191 10 0 AEAEHN CCC1([C@@H]2CN[C@@H](C)[C@@H](C)O2)CCC1 686126941 573035414 /nfs/dbraw/zinc/03/54/14/573035414.db2.gz AFOZYASBHMSVKM-AXFHLTTASA-N 0 3 197.322 2.332 10 0 AEAEHN NC[C@]1(F)CCc2c(Cl)cccc21 257925726 573035428 /nfs/dbraw/zinc/03/54/28/573035428.db2.gz YYPJHPASDGYIRY-SNVBAGLBSA-N 0 3 199.656 2.410 10 0 AEAEHN CC(C)[C@H](N)c1c(N)cccc1F 104580719 573035430 /nfs/dbraw/zinc/03/54/30/573035430.db2.gz JLIYRPIZBGNDGE-JTQLQIEISA-N 0 3 182.242 2.064 10 0 AEAEHN CCC[C@@H]([NH3+])c1ccc(F)c([O-])c1 104580668 573036055 /nfs/dbraw/zinc/03/60/55/573036055.db2.gz OFJAEOKVDBRRHV-SECBINFHSA-N 0 3 183.226 2.331 10 0 AEAEHN CC1=C(NCc2ccccc2)OCC1 238248857 573036110 /nfs/dbraw/zinc/03/61/10/573036110.db2.gz IOPVHQZRWXCCQZ-UHFFFAOYSA-N 0 3 189.258 2.428 10 0 AEAEHN CCC[C@H]([NH3+])c1cc([O-])cc(F)c1 104581787 573036228 /nfs/dbraw/zinc/03/62/28/573036228.db2.gz ALZWDCNGLNAVFX-JTQLQIEISA-N 0 3 183.226 2.331 10 0 AEAEHN CCC1([C@@H]2CN[C@@H](C)[C@H](C)O2)CCC1 686126943 573036682 /nfs/dbraw/zinc/03/66/82/573036682.db2.gz AFOZYASBHMSVKM-DCAQKATOSA-N 0 3 197.322 2.332 10 0 AEAEHN CNC1(c2ccccc2)CC(F)C1 257924985 573037559 /nfs/dbraw/zinc/03/75/59/573037559.db2.gz RZSCLBAILJYYPW-UHFFFAOYSA-N 0 3 179.238 2.233 10 0 AEAEHN CCC1([C@@H]2CN[C@H](C)[C@H](C)O2)CCC1 686126948 573037402 /nfs/dbraw/zinc/03/74/02/573037402.db2.gz AFOZYASBHMSVKM-VWYCJHECSA-N 0 3 197.322 2.332 10 0 AEAEHN CCc1nc(C(C)C)c(CN)s1 82429378 573038540 /nfs/dbraw/zinc/03/85/40/573038540.db2.gz PICCGZMVKTZRDR-UHFFFAOYSA-N 0 3 184.308 2.288 10 0 AEAEHN CCC1([C@@H]2CN[C@H](C)[C@@H](C)O2)CCC1 686126945 573038768 /nfs/dbraw/zinc/03/87/68/573038768.db2.gz AFOZYASBHMSVKM-MXWKQRLJSA-N 0 3 197.322 2.332 10 0 AEAEHN Clc1cccc(C23CC(C2)N3)c1 257927311 573038686 /nfs/dbraw/zinc/03/86/86/573038686.db2.gz BDBGTMPSDYJJCE-UHFFFAOYSA-N 0 3 179.650 2.301 10 0 AEAEHN Cc1cccc(C(=O)CCN(C)C)c1 1571717 573038915 /nfs/dbraw/zinc/03/89/15/573038915.db2.gz JCJMRKFXZMTZOU-UHFFFAOYSA-N 0 3 191.274 2.129 10 0 AEAEHN NC[C@@]1(F)CCc2c(Cl)cccc21 257925724 573039010 /nfs/dbraw/zinc/03/90/10/573039010.db2.gz YYPJHPASDGYIRY-JTQLQIEISA-N 0 3 199.656 2.410 10 0 AEAEHN CCCC[C@H]1CC[C@]2(C)NCCN2C1 238250344 573040048 /nfs/dbraw/zinc/04/00/48/573040048.db2.gz WKYCDHSHLIJNJA-NWDGAFQWSA-N 0 3 196.338 2.208 10 0 AEAEHN CN[C@H](c1cccc(C)n1)C(C)C 82451647 573041615 /nfs/dbraw/zinc/04/16/15/573041615.db2.gz LAXBYQVHKLJPGC-NSHDSACASA-N 0 3 178.279 2.307 10 0 AEAEHN C[C@H](N)Sc1ccc(F)cc1 259317642 573041248 /nfs/dbraw/zinc/04/12/48/573041248.db2.gz VUEZRYXHKSQFCC-ZCFIWIBFSA-N 0 3 171.240 2.223 10 0 AEAEHN C[C@@H]1CS[C@@H]([C@@]2(C)CC2(C)C)N1 717065755 573043656 /nfs/dbraw/zinc/04/36/56/573043656.db2.gz OPLHBAYQAVCZRE-KHQFGBGNSA-N 0 3 185.336 2.474 10 0 AEAEHN CCN[C@@H](C)c1cccc(C)n1 82451748 573042846 /nfs/dbraw/zinc/04/28/46/573042846.db2.gz GKFSWFNVMXKZER-VIFPVBQESA-N 0 3 164.252 2.061 10 0 AEAEHN Cc1cccc([C@@H](N)C(C)(C)C)n1 82451549 573042709 /nfs/dbraw/zinc/04/27/09/573042709.db2.gz PZNGLFMZIIYSFP-SNVBAGLBSA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1ccc(C)c2[nH]c(CN)cc12 82452013 573042908 /nfs/dbraw/zinc/04/29/08/573042908.db2.gz CDDCOPRZCDNDAM-UHFFFAOYSA-N 0 3 174.247 2.243 10 0 AEAEHN C[C@@H]1CS[C@H]([C@@]2(C)CC2(C)C)N1 717065767 573043029 /nfs/dbraw/zinc/04/30/29/573043029.db2.gz OPLHBAYQAVCZRE-NQMVMOMDSA-N 0 3 185.336 2.474 10 0 AEAEHN CCN[C@@H](CC)c1cccc(C)n1 82451738 573043195 /nfs/dbraw/zinc/04/31/95/573043195.db2.gz VUJHIHBMGFBJSM-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CC1(C)C[C@@]1(C)[C@@H]1NCCCS1 717070749 573043330 /nfs/dbraw/zinc/04/33/30/573043330.db2.gz WWZMWVSEDGONTC-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN Cc1cc(C)c2cc(CN)[nH]c2c1 82452131 573043405 /nfs/dbraw/zinc/04/34/05/573043405.db2.gz NEZGGCGZPKFPLG-UHFFFAOYSA-N 0 3 174.247 2.243 10 0 AEAEHN Cc1cccc([C@H](N)C(C)(C)C)n1 82451547 573043849 /nfs/dbraw/zinc/04/38/49/573043849.db2.gz PZNGLFMZIIYSFP-JTQLQIEISA-N 0 3 178.279 2.436 10 0 AEAEHN CN[C@@H](c1cccc(C)n1)C(C)C 82451645 573044319 /nfs/dbraw/zinc/04/43/19/573044319.db2.gz LAXBYQVHKLJPGC-LLVKDONJSA-N 0 3 178.279 2.307 10 0 AEAEHN Cc1cccc(C(=N)NC(C)(C)C)n1 82451975 573045273 /nfs/dbraw/zinc/04/52/73/573045273.db2.gz DZVLTASBMYTVPO-UHFFFAOYSA-N 0 3 191.278 2.103 10 0 AEAEHN C[C@@H](N)Sc1ccc(F)cc1 259317639 573045384 /nfs/dbraw/zinc/04/53/84/573045384.db2.gz VUEZRYXHKSQFCC-LURJTMIESA-N 0 3 171.240 2.223 10 0 AEAEHN CC1(C)C[C@]1(C)[C@@H]1NCCCS1 717070746 573045661 /nfs/dbraw/zinc/04/56/61/573045661.db2.gz WWZMWVSEDGONTC-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN CCN[C@H](C)c1cccc(C)n1 82451750 573045866 /nfs/dbraw/zinc/04/58/66/573045866.db2.gz GKFSWFNVMXKZER-SECBINFHSA-N 0 3 164.252 2.061 10 0 AEAEHN CCC(CC)Cn1ncc(CN)c1C 128581441 573046003 /nfs/dbraw/zinc/04/60/03/573046003.db2.gz PPTRRSAXEGSDHV-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN CCCN[C@@H](COC)c1cccs1 49684603 573046168 /nfs/dbraw/zinc/04/61/68/573046168.db2.gz MJCAZVTYJYMWJC-VIFPVBQESA-N 0 3 199.319 2.435 10 0 AEAEHN CC1(C)C[C@@]1(C)[C@H]1NCCCS1 717070753 573046601 /nfs/dbraw/zinc/04/66/01/573046601.db2.gz WWZMWVSEDGONTC-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1ccccc1O 257935919 573046612 /nfs/dbraw/zinc/04/66/12/573046612.db2.gz UFWYLJIOQNMOSU-OIBJUYFYSA-N 0 3 183.226 2.011 10 0 AEAEHN CCC(CC)Cn1cc(CN)c(C)n1 128581688 573047229 /nfs/dbraw/zinc/04/72/29/573047229.db2.gz FZZKUHSWTKXXBJ-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN C[C@@H]1CS[C@@H]([C@]2(C)CC2(C)C)N1 717065770 573047233 /nfs/dbraw/zinc/04/72/33/573047233.db2.gz OPLHBAYQAVCZRE-WEDXCCLWSA-N 0 3 185.336 2.474 10 0 AEAEHN CC1(C)C[C@]1(C)[C@H]1NCCCS1 717070751 573047378 /nfs/dbraw/zinc/04/73/78/573047378.db2.gz WWZMWVSEDGONTC-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN CC1=CCN[C@@H](c2ccccc2N)C1 238258370 573047429 /nfs/dbraw/zinc/04/74/29/573047429.db2.gz PLJGJSPKXKOVLL-GFCCVEGCSA-N 0 3 188.274 2.250 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1ccccc1O 257935917 573047575 /nfs/dbraw/zinc/04/75/75/573047575.db2.gz UFWYLJIOQNMOSU-GMSGAONNSA-N 0 3 183.226 2.011 10 0 AEAEHN Cc1nnsc1[C@@H]1CCCCCN1 88040119 573047629 /nfs/dbraw/zinc/04/76/29/573047629.db2.gz KCAHGMQSWSBZAE-QMMMGPOBSA-N 0 3 197.307 2.051 10 0 AEAEHN CC1=CCN[C@H](c2ccccc2N)C1 238258432 573047954 /nfs/dbraw/zinc/04/79/54/573047954.db2.gz PLJGJSPKXKOVLL-LBPRGKRZSA-N 0 3 188.274 2.250 10 0 AEAEHN FC(F)[C@H]1NCCC12CCCC2 257935981 573048322 /nfs/dbraw/zinc/04/83/22/573048322.db2.gz UGTMASMDJKKNOG-SSDOTTSWSA-N 0 3 175.222 2.174 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1ccccc1O 257935921 573048304 /nfs/dbraw/zinc/04/83/04/573048304.db2.gz UFWYLJIOQNMOSU-XVKPBYJWSA-N 0 3 183.226 2.011 10 0 AEAEHN C[C@@H]1CS[C@H]([C@]2(C)CC2(C)C)N1 717065756 573048312 /nfs/dbraw/zinc/04/83/12/573048312.db2.gz OPLHBAYQAVCZRE-MRTMQBJTSA-N 0 3 185.336 2.474 10 0 AEAEHN FC(F)[C@@H]1NCCC12CCCC2 257935983 573048943 /nfs/dbraw/zinc/04/89/43/573048943.db2.gz UGTMASMDJKKNOG-ZETCQYMHSA-N 0 3 175.222 2.174 10 0 AEAEHN Cc1nnsc1[C@H]1CCCCCN1 88040121 573050560 /nfs/dbraw/zinc/05/05/60/573050560.db2.gz KCAHGMQSWSBZAE-MRVPVSSYSA-N 0 3 197.307 2.051 10 0 AEAEHN Cc1cnc(NC2CCCC2)n1C 257936801 573051235 /nfs/dbraw/zinc/05/12/35/573051235.db2.gz UTHDNWOKAGRPTE-UHFFFAOYSA-N 0 3 179.267 2.083 10 0 AEAEHN CCCc1nc([C@H](C)N)sc1C 259318916 573053123 /nfs/dbraw/zinc/05/31/23/573053123.db2.gz RRTVIXSDWJZUON-LURJTMIESA-N 0 3 184.308 2.424 10 0 AEAEHN CC[C@@H](NC)c1cccc(C)n1 82458950 573053946 /nfs/dbraw/zinc/05/39/46/573053946.db2.gz XZZAOAUEBZBIDS-SECBINFHSA-N 0 3 164.252 2.061 10 0 AEAEHN CC[C@@H](C)[C@H](C)N1CCC(=O)C[C@@H]1C 49713309 573054294 /nfs/dbraw/zinc/05/42/94/573054294.db2.gz BEVKVUUVJICXDF-VWYCJHECSA-N 0 3 197.322 2.474 10 0 AEAEHN Nc1cc(CN2CCCC2)ccc1F 224698876 573054351 /nfs/dbraw/zinc/05/43/51/573054351.db2.gz ZYHRWVUUMKGSMJ-UHFFFAOYSA-N 0 3 194.253 2.004 10 0 AEAEHN CC[C@@H](C)[C@@H](C)N1CCC(=O)C[C@@H]1C 49713307 573054574 /nfs/dbraw/zinc/05/45/74/573054574.db2.gz BEVKVUUVJICXDF-OUAUKWLOSA-N 0 3 197.322 2.474 10 0 AEAEHN CCCc1nc([C@@H](C)N)sc1C 259318922 573054765 /nfs/dbraw/zinc/05/47/65/573054765.db2.gz RRTVIXSDWJZUON-ZCFIWIBFSA-N 0 3 184.308 2.424 10 0 AEAEHN CC[C@H](NC)c1cccc(C)n1 82458949 573055318 /nfs/dbraw/zinc/05/53/18/573055318.db2.gz XZZAOAUEBZBIDS-VIFPVBQESA-N 0 3 164.252 2.061 10 0 AEAEHN CCc1ccc(Cl)c2c1OC[C@@H]2N 238274667 573057481 /nfs/dbraw/zinc/05/74/81/573057481.db2.gz LOMHQRSSMIJNKV-QMMMGPOBSA-N 0 3 197.665 2.295 10 0 AEAEHN CCP1CCC(CCO)CC1 238262742 573057554 /nfs/dbraw/zinc/05/75/54/573057554.db2.gz FDRDGUIWRAIPDN-UHFFFAOYSA-N 0 3 174.224 2.281 10 0 AEAEHN Cc1ccc([C@@H](F)C2(N)CC2)cc1 257938706 573058831 /nfs/dbraw/zinc/05/88/31/573058831.db2.gz URMPKGIWJUURNV-SNVBAGLBSA-N 0 3 179.238 2.497 10 0 AEAEHN CCc1ccc(Cl)c2c1[C@@H](N)CO2 238274589 573058792 /nfs/dbraw/zinc/05/87/92/573058792.db2.gz LUHJWNPRWXNAOR-QMMMGPOBSA-N 0 3 197.665 2.295 10 0 AEAEHN CC(C)CC1(CNC2COC2)CCC1 308492341 573059302 /nfs/dbraw/zinc/05/93/02/573059302.db2.gz CBTQISQFJZNPKS-UHFFFAOYSA-N 0 3 197.322 2.191 10 0 AEAEHN CCc1ccc(Cl)c2c1[C@H](N)CO2 238274573 573059659 /nfs/dbraw/zinc/05/96/59/573059659.db2.gz LUHJWNPRWXNAOR-MRVPVSSYSA-N 0 3 197.665 2.295 10 0 AEAEHN Cc1ccc([C@H](F)C2(N)CC2)cc1 257938705 573060277 /nfs/dbraw/zinc/06/02/77/573060277.db2.gz URMPKGIWJUURNV-JTQLQIEISA-N 0 3 179.238 2.497 10 0 AEAEHN C[NH2+]CC[C@H](F)c1ccccc1[O-] 257938635 573060371 /nfs/dbraw/zinc/06/03/71/573060371.db2.gz UNYKEEZXOJOGSZ-VIFPVBQESA-N 0 3 183.226 2.012 10 0 AEAEHN CCc1ccc(Cl)c2c1OC[C@H]2N 238274726 573061121 /nfs/dbraw/zinc/06/11/21/573061121.db2.gz LOMHQRSSMIJNKV-MRVPVSSYSA-N 0 3 197.665 2.295 10 0 AEAEHN CN[C@@H](CSC(C)C)c1ccc[nH]1 308242226 573061280 /nfs/dbraw/zinc/06/12/80/573061280.db2.gz ZCLOFSHVFZCWQK-JTQLQIEISA-N 0 3 198.335 2.417 10 0 AEAEHN Cc1ccc(-c2nc([C@@H](C)N)co2)o1 257940263 573062608 /nfs/dbraw/zinc/06/26/08/573062608.db2.gz FIDUQQZPYOVACQ-SSDOTTSWSA-N 0 3 192.218 2.263 10 0 AEAEHN CCCC[C@H](N)c1cnccc1OC 308488683 573064981 /nfs/dbraw/zinc/06/49/81/573064981.db2.gz PLHPNNFYUJIBAU-JTQLQIEISA-N 0 3 194.278 2.280 10 0 AEAEHN CN1CCC(Nc2ccsc2)CC1 85527745 573064514 /nfs/dbraw/zinc/06/45/14/573064514.db2.gz AYLRNKQOMZOCEN-UHFFFAOYSA-N 0 3 196.319 2.254 10 0 AEAEHN CN[C@H](CSC(C)C)c1ccc[nH]1 308242227 573064936 /nfs/dbraw/zinc/06/49/36/573064936.db2.gz ZCLOFSHVFZCWQK-SNVBAGLBSA-N 0 3 198.335 2.417 10 0 AEAEHN CC(C)(C)Sc1cccnc1CN 88077699 573065204 /nfs/dbraw/zinc/06/52/04/573065204.db2.gz AWDAIFXOSCEOMK-UHFFFAOYSA-N 0 3 196.319 2.431 10 0 AEAEHN CC(C)[C@H](C)NCc1cccnc1F 308488469 573066012 /nfs/dbraw/zinc/06/60/12/573066012.db2.gz AUFFUNFKYWUVNG-VIFPVBQESA-N 0 3 196.269 2.355 10 0 AEAEHN CCCOC[C@@H](NCC)c1ccc[nH]1 308494481 573066149 /nfs/dbraw/zinc/06/61/49/573066149.db2.gz SKFNIPFQFIKGTH-LLVKDONJSA-N 0 3 196.294 2.092 10 0 AEAEHN CC(C)c1ccc(C2(N)CC2)nc1 259321955 573066665 /nfs/dbraw/zinc/06/66/65/573066665.db2.gz OGGKUICVSOHTSV-UHFFFAOYSA-N 0 3 176.263 2.153 10 0 AEAEHN CC(C)(C)c1ccc(CN)c(Cl)n1 114232621 573066705 /nfs/dbraw/zinc/06/67/05/573066705.db2.gz ONQTVNOEEFBXEC-UHFFFAOYSA-N 0 3 198.697 2.491 10 0 AEAEHN CC(C)[C@@H](C)NCc1cccnc1F 308488467 573066799 /nfs/dbraw/zinc/06/67/99/573066799.db2.gz AUFFUNFKYWUVNG-SECBINFHSA-N 0 3 196.269 2.355 10 0 AEAEHN CCCOC[C@H](NCC)c1ccc[nH]1 308494482 573066976 /nfs/dbraw/zinc/06/69/76/573066976.db2.gz SKFNIPFQFIKGTH-NSHDSACASA-N 0 3 196.294 2.092 10 0 AEAEHN C1CCCC(NC2COC2)CCC1 82487856 573067258 /nfs/dbraw/zinc/06/72/58/573067258.db2.gz NCVWTUHYTBNHAN-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN C[C@@H]1CCCN([C@@H]2CCCC2=O)CC1 82489684 573067904 /nfs/dbraw/zinc/06/79/04/573067904.db2.gz KUBJKQXSKSWSIZ-GHMZBOCLSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)C[C@H](C)C(=O)CNCC1CC1 308495030 573067959 /nfs/dbraw/zinc/06/79/59/573067959.db2.gz SNXFPIGTRRXEMN-JTQLQIEISA-N 0 3 197.322 2.237 10 0 AEAEHN Nc1cnccc1Nc1ccsc1 85528508 573068048 /nfs/dbraw/zinc/06/80/48/573068048.db2.gz UFJRERXTNOOFCW-UHFFFAOYSA-N 0 3 191.259 2.469 10 0 AEAEHN CC(C)CCC[C@@H](C)NC1COC1 82488308 573068239 /nfs/dbraw/zinc/06/82/39/573068239.db2.gz SEELPWVBPQGICH-SNVBAGLBSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@H](N)c1nccc2ncccc12 238265973 573068290 /nfs/dbraw/zinc/06/82/90/573068290.db2.gz MPWWOJXHRDPTBN-VIFPVBQESA-N 0 3 187.246 2.040 10 0 AEAEHN CC1=CC(C)(C)N=C1C 209751321 573068367 /nfs/dbraw/zinc/06/83/67/573068367.db2.gz CJYWSEPNERKBRD-UHFFFAOYSA-N 0 3 123.199 2.186 10 0 AEAEHN CCCC[C@@H](N)c1cnccc1OC 308488685 573068409 /nfs/dbraw/zinc/06/84/09/573068409.db2.gz PLHPNNFYUJIBAU-SNVBAGLBSA-N 0 3 194.278 2.280 10 0 AEAEHN Cc1cc(OC(C)(C)C)c(CN)cn1 88115870 573069440 /nfs/dbraw/zinc/06/94/40/573069440.db2.gz AYDUKFFKWDDJDY-UHFFFAOYSA-N 0 3 194.278 2.026 10 0 AEAEHN C[C@H]1CCCN([C@@H]2CCCC2=O)CC1 82489685 573069599 /nfs/dbraw/zinc/06/95/99/573069599.db2.gz KUBJKQXSKSWSIZ-WDEREUQCSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(=N)Nc1ccsc1 85535979 573069637 /nfs/dbraw/zinc/06/96/37/573069637.db2.gz SCQRNSZBOMYIJY-UHFFFAOYSA-N 0 3 140.211 2.157 10 0 AEAEHN CCC(=O)CN1CCC[C@@H](C)CC1 82489646 573070542 /nfs/dbraw/zinc/07/05/42/573070542.db2.gz ARWIUUVCHPTSBF-SNVBAGLBSA-N 0 3 183.295 2.088 10 0 AEAEHN CCNC1=NC(C)(C)C[C@@H](C)S1 238267545 573069796 /nfs/dbraw/zinc/06/97/96/573069796.db2.gz GYGIRXZPVKUQKI-SSDOTTSWSA-N 0 3 186.324 2.256 10 0 AEAEHN N=C1CCCN1c1ccsc1 85534950 573069964 /nfs/dbraw/zinc/06/99/64/573069964.db2.gz NKDVKDDIULQLMW-UHFFFAOYSA-N 0 3 166.249 2.326 10 0 AEAEHN Cc1nc2ccsc2c(N)c1C 85535304 573070416 /nfs/dbraw/zinc/07/04/16/573070416.db2.gz VZDKXOLIFZHLPJ-UHFFFAOYSA-N 0 3 178.260 2.495 10 0 AEAEHN C=C/C=C(\OCC)[C@@H](N)C(C)(C)C 214012437 573070882 /nfs/dbraw/zinc/07/08/82/573070882.db2.gz MMYQYKNKEXLDIF-HSTULFTRSA-N 0 3 183.295 2.466 10 0 AEAEHN CCNCc1ncc(C)c2occc12 238267625 573071045 /nfs/dbraw/zinc/07/10/45/573071045.db2.gz YQMSQIXTLWSQPT-UHFFFAOYSA-N 0 3 190.246 2.246 10 0 AEAEHN CCNCc1nccc2ccsc12 238267790 573071209 /nfs/dbraw/zinc/07/12/09/573071209.db2.gz KVYYIVOSBIMNDJ-UHFFFAOYSA-N 0 3 192.287 2.406 10 0 AEAEHN CC(=O)[C@H](C)N1CCC[C@H](C)CC1 82489671 573071602 /nfs/dbraw/zinc/07/16/02/573071602.db2.gz JXLFWXJVENGTMQ-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCCC[C@H](N)c1ncnn1C(C)C 308489975 573071608 /nfs/dbraw/zinc/07/16/08/573071608.db2.gz QHCNGEGSJCKWKD-VIFPVBQESA-N 0 3 196.298 2.049 10 0 AEAEHN CCCC[C@@H](N)c1ncnn1C(C)C 308489973 573071614 /nfs/dbraw/zinc/07/16/14/573071614.db2.gz QHCNGEGSJCKWKD-SECBINFHSA-N 0 3 196.298 2.049 10 0 AEAEHN CN[C@@H](COC(C)(C)C)c1ccc[nH]1 308490424 573072388 /nfs/dbraw/zinc/07/23/88/573072388.db2.gz QHKMAHXTMMQGTF-JTQLQIEISA-N 0 3 196.294 2.090 10 0 AEAEHN CN[C@H](COC(C)(C)C)c1ccc[nH]1 308490425 573072572 /nfs/dbraw/zinc/07/25/72/573072572.db2.gz QHKMAHXTMMQGTF-SNVBAGLBSA-N 0 3 196.294 2.090 10 0 AEAEHN CCNCc1nccc2sccc12 238267841 573072574 /nfs/dbraw/zinc/07/25/74/573072574.db2.gz GWKCBSGWLDRZCO-UHFFFAOYSA-N 0 3 192.287 2.406 10 0 AEAEHN CCCc1nc2ccc(C)cn2c1N 82486003 573073584 /nfs/dbraw/zinc/07/35/84/573073584.db2.gz UJOKMBHZOSBVPT-UHFFFAOYSA-N 0 3 189.262 2.177 10 0 AEAEHN C=C/C=C(\OCC)[C@H](N)C(C)(C)C 214012383 573073450 /nfs/dbraw/zinc/07/34/50/573073450.db2.gz MMYQYKNKEXLDIF-QROTZFDESA-N 0 3 183.295 2.466 10 0 AEAEHN Cc1cccc2cc(C[NH3+])cc([O-])c12 257939689 573074088 /nfs/dbraw/zinc/07/40/88/573074088.db2.gz UVVZDGYAPIYRNW-UHFFFAOYSA-N 0 3 187.242 2.313 10 0 AEAEHN CC[C@H](N)c1cc(F)cc2c1OCC2 238267572 573074197 /nfs/dbraw/zinc/07/41/97/573074197.db2.gz AKYMVKJDPRZZTN-JTQLQIEISA-N 0 3 195.237 2.170 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1coc(C)n1 238268853 573074322 /nfs/dbraw/zinc/07/43/22/573074322.db2.gz URVDNXTXOVIOPW-HZGVNTEJSA-N 0 3 168.240 2.029 10 0 AEAEHN CCNCc1ncc(C)c2ccoc12 238267590 573074510 /nfs/dbraw/zinc/07/45/10/573074510.db2.gz JOHDNTYVBXGXCH-UHFFFAOYSA-N 0 3 190.246 2.246 10 0 AEAEHN CC(=O)[C@H](C)N1CCC[C@@H](C)CC1 82489670 573075233 /nfs/dbraw/zinc/07/52/33/573075233.db2.gz JXLFWXJVENGTMQ-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@H](C)[C@H](O)[C@@H](N)c1ccoc1 308488859 573075314 /nfs/dbraw/zinc/07/53/14/573075314.db2.gz OKCXRSYFGZFYCU-LSJOCFKGSA-N 0 3 197.278 2.077 10 0 AEAEHN CCC(=O)CN1CCC[C@H](C)CC1 82489644 573075576 /nfs/dbraw/zinc/07/55/76/573075576.db2.gz ARWIUUVCHPTSBF-JTQLQIEISA-N 0 3 183.295 2.088 10 0 AEAEHN CCC[C@H](C)[C@@H](O)[C@H](N)c1ccoc1 308488858 573075975 /nfs/dbraw/zinc/07/59/75/573075975.db2.gz OKCXRSYFGZFYCU-JMJZKYOTSA-N 0 3 197.278 2.077 10 0 AEAEHN CC[C@H](N)c1ccc2ncccc2n1 238271015 573076532 /nfs/dbraw/zinc/07/65/32/573076532.db2.gz JLYBYUITUWTWPN-QMMMGPOBSA-N 0 3 187.246 2.040 10 0 AEAEHN CN(CC1CCCC1)[C@@H]1CCCC1=O 82492579 573077152 /nfs/dbraw/zinc/07/71/52/573077152.db2.gz ZUFNOVJYOJXVIN-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@H]1CNCc2cc(C)oc21 238270686 573077786 /nfs/dbraw/zinc/07/77/86/573077786.db2.gz HIUCPDBFLMWBIW-MRVPVSSYSA-N 0 3 165.236 2.185 10 0 AEAEHN CCNCc1cc2c(cn1)CCCC2 238270950 573078053 /nfs/dbraw/zinc/07/80/53/573078053.db2.gz HTUNTXKLZRFVAT-UHFFFAOYSA-N 0 3 190.290 2.070 10 0 AEAEHN CC[C@H](N)c1ccc2cnccc2n1 238270982 573078142 /nfs/dbraw/zinc/07/81/42/573078142.db2.gz ICRNNMHPHZLOPW-VIFPVBQESA-N 0 3 187.246 2.040 10 0 AEAEHN CCCSCNC(C)C 104618918 573078447 /nfs/dbraw/zinc/07/84/47/573078447.db2.gz BCTQBIYKIPVNJP-UHFFFAOYSA-N 0 3 147.287 2.085 10 0 AEAEHN CCCNCSCCC 104618922 573078764 /nfs/dbraw/zinc/07/87/64/573078764.db2.gz IBXJHRZFPQTUBQ-UHFFFAOYSA-N 0 3 147.287 2.087 10 0 AEAEHN C[C@@H]1CC(C)(C)CC[C@@]12CNCCO2 88133404 573079278 /nfs/dbraw/zinc/07/92/78/573079278.db2.gz WXZBQYPTTOGJAI-ZYHUDNBSSA-N 0 3 197.322 2.191 10 0 AEAEHN CC[C@@H]1CNCOC12CCCCC2 238270037 573079530 /nfs/dbraw/zinc/07/95/30/573079530.db2.gz UQEALUTXIMDGGK-SNVBAGLBSA-N 0 3 183.295 2.293 10 0 AEAEHN CCO[C@H]1c2ccccc2CN[C@H]1C 238269941 573080363 /nfs/dbraw/zinc/08/03/63/573080363.db2.gz HHOUZRYNHRLTCM-JOYOIKCWSA-N 0 3 191.274 2.256 10 0 AEAEHN CN(CC1CCCC1)[C@H]1CCCC1=O 82492580 573080633 /nfs/dbraw/zinc/08/06/33/573080633.db2.gz ZUFNOVJYOJXVIN-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H]1CC(C)(C)CC[C@]12CNCCO2 88133411 573081095 /nfs/dbraw/zinc/08/10/95/573081095.db2.gz WXZBQYPTTOGJAI-JQWIXIFHSA-N 0 3 197.322 2.191 10 0 AEAEHN CC[C@H]1NCO[C@@H]1c1ccccc1 238271906 573081823 /nfs/dbraw/zinc/08/18/23/573081823.db2.gz ICSRAKNVRKLGGU-GHMZBOCLSA-N 0 3 177.247 2.084 10 0 AEAEHN C[C@H]1CC(C)(C)CC[C@@]12CNCCO2 88133407 573082240 /nfs/dbraw/zinc/08/22/40/573082240.db2.gz WXZBQYPTTOGJAI-CMPLNLGQSA-N 0 3 197.322 2.191 10 0 AEAEHN CCC[C@@H](C)[C@@H](N)c1cnc(C)n1C 308497073 573082868 /nfs/dbraw/zinc/08/28/68/573082868.db2.gz TYMPWBBEMOWPRI-LDYMZIIASA-N 0 3 195.310 2.165 10 0 AEAEHN CC[C@@H]1CO[C@@H](c2ccccc2C)N1 238272061 573082893 /nfs/dbraw/zinc/08/28/93/573082893.db2.gz PMMIUTKDBXPAGW-PWSUYJOCSA-N 0 3 191.274 2.392 10 0 AEAEHN CN[C@H](c1ccco1)[C@@H]1CC[C@@H](C)O1 88141060 573083223 /nfs/dbraw/zinc/08/32/23/573083223.db2.gz LYTCUYPQGNCRKZ-DVVUODLYSA-N 0 3 195.262 2.108 10 0 AEAEHN CN[C@H](c1ccco1)[C@H]1CC[C@@H](C)O1 88141058 573084269 /nfs/dbraw/zinc/08/42/69/573084269.db2.gz LYTCUYPQGNCRKZ-FBIMIBRVSA-N 0 3 195.262 2.108 10 0 AEAEHN CCC[C@H](C)[C@@H](N)c1cnc(C)n1C 308497069 573084405 /nfs/dbraw/zinc/08/44/05/573084405.db2.gz TYMPWBBEMOWPRI-GZMMTYOYSA-N 0 3 195.310 2.165 10 0 AEAEHN C[C@@H]1NCCc2c1ccc(F)c2F 82522955 573084549 /nfs/dbraw/zinc/08/45/49/573084549.db2.gz NCPAQYMUJJTKDA-LURJTMIESA-N 0 3 183.201 2.172 10 0 AEAEHN CC[C@H](C)C[C@@H](N)c1cnc(C)n1C 308497665 573084746 /nfs/dbraw/zinc/08/47/46/573084746.db2.gz UKZZBNRJLNZHFC-WCBMZHEXSA-N 0 3 195.310 2.165 10 0 AEAEHN Cc1c(F)cccc1CNC1CC1 114482472 573084836 /nfs/dbraw/zinc/08/48/36/573084836.db2.gz NTIIWMOYVFPRJN-UHFFFAOYSA-N 0 3 179.238 2.386 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1cnc(C)n1C 308497070 573085232 /nfs/dbraw/zinc/08/52/32/573085232.db2.gz TYMPWBBEMOWPRI-KCJUWKMLSA-N 0 3 195.310 2.165 10 0 AEAEHN CCSc1ccc(F)cc1CN 82516663 573086244 /nfs/dbraw/zinc/08/62/44/573086244.db2.gz UAPPNOLDSMJSRC-UHFFFAOYSA-N 0 3 185.267 2.396 10 0 AEAEHN C[C@H]1NCCc2c1ccc(F)c2F 82522954 573086339 /nfs/dbraw/zinc/08/63/39/573086339.db2.gz NCPAQYMUJJTKDA-ZCFIWIBFSA-N 0 3 183.201 2.172 10 0 AEAEHN CCC(CC)Cn1ccc(CNC)n1 128585397 573086370 /nfs/dbraw/zinc/08/63/70/573086370.db2.gz LJCXMZJEQOZWJQ-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CC[C@H]1Cc2c(ccc(F)c2F)CN1 82522953 573086415 /nfs/dbraw/zinc/08/64/15/573086415.db2.gz PZRDEDJXWIPRCH-QMMMGPOBSA-N 0 3 197.228 2.389 10 0 AEAEHN CC[C@H]1NC[C@H](C)N1c1ccccc1 238272352 573086613 /nfs/dbraw/zinc/08/66/13/573086613.db2.gz JGRUGOFIESNUSO-JQWIXIFHSA-N 0 3 190.290 2.221 10 0 AEAEHN CC[C@H]1NCO[C@H]1c1ccccc1 238271919 573087129 /nfs/dbraw/zinc/08/71/29/573087129.db2.gz ICSRAKNVRKLGGU-MNOVXSKESA-N 0 3 177.247 2.084 10 0 AEAEHN CC[C@@H]1CO[C@H](c2ccccc2C)N1 238272231 573087206 /nfs/dbraw/zinc/08/72/06/573087206.db2.gz PMMIUTKDBXPAGW-ZYHUDNBSSA-N 0 3 191.274 2.392 10 0 AEAEHN CCC[C@H](C)[C@H](N)c1cnc(C)n1C 308497071 573087293 /nfs/dbraw/zinc/08/72/93/573087293.db2.gz TYMPWBBEMOWPRI-KWQFWETISA-N 0 3 195.310 2.165 10 0 AEAEHN Cc1cnccc1-n1cccc1 82523228 573087359 /nfs/dbraw/zinc/08/73/59/573087359.db2.gz QDVXXYVQVROESA-UHFFFAOYSA-N 0 3 158.204 2.181 10 0 AEAEHN NCc1cc(F)ccc1OC1CCC1 82516647 573087470 /nfs/dbraw/zinc/08/74/70/573087470.db2.gz NCIJQBGIPVTJHW-UHFFFAOYSA-N 0 3 195.237 2.216 10 0 AEAEHN CN/C=C(/C)c1ccccc1 104627747 573087555 /nfs/dbraw/zinc/08/75/55/573087555.db2.gz KCNPWABJJQORNA-HJWRWDBZSA-N 0 3 147.221 2.267 10 0 AEAEHN CN1C[C@@H]2C[C@]2(c2ccc(F)cc2)C1 36489214 573087627 /nfs/dbraw/zinc/08/76/27/573087627.db2.gz FCEZVCFFFLLXSG-CMPLNLGQSA-N 0 3 191.249 2.029 10 0 AEAEHN CC[C@@H]1Cc2c(ccc(F)c2F)CN1 82522952 573087893 /nfs/dbraw/zinc/08/78/93/573087893.db2.gz PZRDEDJXWIPRCH-MRVPVSSYSA-N 0 3 197.228 2.389 10 0 AEAEHN COc1ccc(CN(C)C2CC2)s1 308500702 573090374 /nfs/dbraw/zinc/09/03/74/573090374.db2.gz WOBGHJZSNVCEFC-UHFFFAOYSA-N 0 3 197.303 2.351 10 0 AEAEHN CCCNc1cc(Cl)ncc1CN 258231775 573092420 /nfs/dbraw/zinc/09/24/20/573092420.db2.gz ZMRVHDKIBIVFGY-UHFFFAOYSA-N 0 3 199.685 2.016 10 0 AEAEHN CCC(C)(CC)NCc1cnns1 308258369 573093711 /nfs/dbraw/zinc/09/37/11/573093711.db2.gz LATMCOSTCSLQIV-UHFFFAOYSA-N 0 3 199.323 2.206 10 0 AEAEHN CCCN(c1ccncc1)C1CC1 308500751 573094123 /nfs/dbraw/zinc/09/41/23/573094123.db2.gz WRFCMTACQQRJQM-UHFFFAOYSA-N 0 3 176.263 2.460 10 0 AEAEHN CCc1ccc(F)c2c1OCC[C@@H]2N 238277049 573094604 /nfs/dbraw/zinc/09/46/04/573094604.db2.gz AYYUPVKJZXAHFZ-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN CC[C@@H]1N[C@@H](c2ccccc2)CO1 238277610 573094728 /nfs/dbraw/zinc/09/47/28/573094728.db2.gz GUQRPZSDUYFQPK-GHMZBOCLSA-N 0 3 177.247 2.084 10 0 AEAEHN CCCCn1ccc2c(N)ccnc21 238276656 573094957 /nfs/dbraw/zinc/09/49/57/573094957.db2.gz JMNVILBDBNFWJX-UHFFFAOYSA-N 0 3 189.262 2.419 10 0 AEAEHN CCc1ccc(F)c2c1[C@H](N)CCO2 238276962 573095259 /nfs/dbraw/zinc/09/52/59/573095259.db2.gz BDZGIJCSKUAWRY-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN CC(C)C[C@@H](C)[C@H](N)c1cncnc1 308501053 573095497 /nfs/dbraw/zinc/09/54/97/573095497.db2.gz WMCQHKZAFPKQHX-KOLCDFICSA-N 0 3 193.294 2.159 10 0 AEAEHN C[C@H](c1ccc(F)c(N)c1)N(C)C 257940680 573095583 /nfs/dbraw/zinc/09/55/83/573095583.db2.gz UXIDGSRDAGMRKX-SSDOTTSWSA-N 0 3 182.242 2.031 10 0 AEAEHN CCOc1ccc(F)c2c1[C@H](N)CC2 238275869 573095807 /nfs/dbraw/zinc/09/58/07/573095807.db2.gz JSMKIWWAYGKNDM-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN C[C@H](NC1COC1)C1CCCCCC1 88163155 573095878 /nfs/dbraw/zinc/09/58/78/573095878.db2.gz GTKSPFXEOJMTOP-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H](NC[Si](C)(C)C)c1ccon1 308254732 573096088 /nfs/dbraw/zinc/09/60/88/573096088.db2.gz JWTGZHDQVQFOCM-MRVPVSSYSA-N 0 3 198.342 2.203 10 0 AEAEHN C[C@@H](c1ccc(F)c(N)c1)N(C)C 257940682 573096391 /nfs/dbraw/zinc/09/63/91/573096391.db2.gz UXIDGSRDAGMRKX-ZETCQYMHSA-N 0 3 182.242 2.031 10 0 AEAEHN CC[C@@H]1N[C@@H](C)[C@@H](c2ccccc2)O1 238277549 573096592 /nfs/dbraw/zinc/09/65/92/573096592.db2.gz YPHYCHZWQNPUQX-WCQGTBRESA-N 0 3 191.274 2.472 10 0 AEAEHN CCc1ccc(F)c2c1[C@@H](N)CCO2 238276973 573097142 /nfs/dbraw/zinc/09/71/42/573097142.db2.gz BDZGIJCSKUAWRY-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN CC(C)C[C@H](C)[C@@H](N)c1cncnc1 308501052 573097250 /nfs/dbraw/zinc/09/72/50/573097250.db2.gz WMCQHKZAFPKQHX-GXSJLCMTSA-N 0 3 193.294 2.159 10 0 AEAEHN CC[C@@H](C)c1nc(C)c(CN)s1 82562798 573097372 /nfs/dbraw/zinc/09/73/72/573097372.db2.gz MZQOSXSAIGJLOB-ZCFIWIBFSA-N 0 3 184.308 2.424 10 0 AEAEHN CCCOC[C@H](NC)c1coc(C)c1 131897153 573098003 /nfs/dbraw/zinc/09/80/03/573098003.db2.gz MUVRWFHOJJVZOE-NSHDSACASA-N 0 3 197.278 2.275 10 0 AEAEHN CCC[C@@H]1NC(C)(C)CN1C(C)C 238277263 573098081 /nfs/dbraw/zinc/09/80/81/573098081.db2.gz YWSICRCELWXAJM-SNVBAGLBSA-N 0 3 184.327 2.205 10 0 AEAEHN CC[C@@H]([NH3+])c1cc([O-])ccc1Cl 238276415 573098102 /nfs/dbraw/zinc/09/81/02/573098102.db2.gz JSZJRJBLHDYRQF-SECBINFHSA-N 0 3 185.654 2.455 10 0 AEAEHN CC(C)C[C@H](C)[C@H](N)c1cncnc1 308501055 573098178 /nfs/dbraw/zinc/09/81/78/573098178.db2.gz WMCQHKZAFPKQHX-ONGXEEELSA-N 0 3 193.294 2.159 10 0 AEAEHN CC[C@H](C)c1nc(C)c(CN)c(C)n1 82562959 573098774 /nfs/dbraw/zinc/09/87/74/573098774.db2.gz AGZDVDFWPBGZDS-ZETCQYMHSA-N 0 3 193.294 2.066 10 0 AEAEHN CCc1ccc(F)c2c1OCC[C@H]2N 238277109 573098934 /nfs/dbraw/zinc/09/89/34/573098934.db2.gz AYYUPVKJZXAHFZ-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN CC[C@H](C)c1nc(C)c(CN)s1 82562799 573099037 /nfs/dbraw/zinc/09/90/37/573099037.db2.gz MZQOSXSAIGJLOB-LURJTMIESA-N 0 3 184.308 2.424 10 0 AEAEHN CCOc1ccc(F)c2c1[C@@H](N)CC2 238275880 573099157 /nfs/dbraw/zinc/09/91/57/573099157.db2.gz JSMKIWWAYGKNDM-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN CC[C@@H](C)c1nc(C)c(CN)c(C)n1 82562958 573099202 /nfs/dbraw/zinc/09/92/02/573099202.db2.gz AGZDVDFWPBGZDS-SSDOTTSWSA-N 0 3 193.294 2.066 10 0 AEAEHN CC[C@H]1SCCS[C@@]1(N)CC 238279256 573099492 /nfs/dbraw/zinc/09/94/92/573099492.db2.gz IRGFBHBHRHGBCS-SFYZADRCSA-N 0 3 191.365 2.310 10 0 AEAEHN CCCOC[C@@H](NC)c1coc(C)c1 131897379 573099839 /nfs/dbraw/zinc/09/98/39/573099839.db2.gz MUVRWFHOJJVZOE-LLVKDONJSA-N 0 3 197.278 2.275 10 0 AEAEHN CC(C)C[C@@H](C)[C@@H](N)c1cncnc1 308501054 573100264 /nfs/dbraw/zinc/10/02/64/573100264.db2.gz WMCQHKZAFPKQHX-MWLCHTKSSA-N 0 3 193.294 2.159 10 0 AEAEHN CC[C@@H](c1ccc[nH]1)N(C)C 238279243 573100331 /nfs/dbraw/zinc/10/03/31/573100331.db2.gz WVPQBIPXVJWEMG-VIFPVBQESA-N 0 3 152.241 2.027 10 0 AEAEHN CC(=O)CC[C@H](N)c1sccc1C 259328648 573101296 /nfs/dbraw/zinc/10/12/96/573101296.db2.gz JAHQBNXEJBEYKO-VIFPVBQESA-N 0 3 197.303 2.426 10 0 AEAEHN CCC[C@@H]1NC[C@H](C)C1(F)F 238277813 573101310 /nfs/dbraw/zinc/10/13/10/573101310.db2.gz FRMIFLXDRLIICS-BQBZGAKWSA-N 0 3 163.211 2.030 10 0 AEAEHN CC[C@@H](C)c1ncc([C@@H](C)N)c(C)n1 82562896 573101654 /nfs/dbraw/zinc/10/16/54/573101654.db2.gz YXHMAXBCEWJYSZ-HTQZYQBOSA-N 0 3 193.294 2.318 10 0 AEAEHN CC[C@@H]1N[C@H](c2ccccc2)CO1 238277826 573101751 /nfs/dbraw/zinc/10/17/51/573101751.db2.gz GUQRPZSDUYFQPK-WDEREUQCSA-N 0 3 177.247 2.084 10 0 AEAEHN CC[C@@H]1N[C@H](C)[C@@H](c2ccccc2)O1 238277776 573101771 /nfs/dbraw/zinc/10/17/71/573101771.db2.gz YPHYCHZWQNPUQX-JLLWLGSASA-N 0 3 191.274 2.472 10 0 AEAEHN CC(=O)CC[C@@H](N)c1sccc1C 259328644 573101824 /nfs/dbraw/zinc/10/18/24/573101824.db2.gz JAHQBNXEJBEYKO-SECBINFHSA-N 0 3 197.303 2.426 10 0 AEAEHN CCC[C@@H]1N[C@@H](C)CC(C)(C)N1C 238277978 573102119 /nfs/dbraw/zinc/10/21/19/573102119.db2.gz IQDALTRLOGNDNZ-VHSXEESVSA-N 0 3 184.327 2.205 10 0 AEAEHN CCC[C@@H]1NC[C@@H](C)C1(F)F 238277747 573102983 /nfs/dbraw/zinc/10/29/83/573102983.db2.gz FRMIFLXDRLIICS-RQJHMYQMSA-N 0 3 163.211 2.030 10 0 AEAEHN CC[C@@H]1O[C@H](c2ccccc2)N[C@@H]1C 238279235 573102287 /nfs/dbraw/zinc/10/22/87/573102287.db2.gz MPFOSNZYGHHLSL-ADEWGFFLSA-N 0 3 191.274 2.472 10 0 AEAEHN COc1ccc(F)cc1[C@@H]1C[C@@H](C)N1 259035917 573102625 /nfs/dbraw/zinc/10/26/25/573102625.db2.gz BTRNWLQZWJQSSW-XCBNKYQSSA-N 0 3 195.237 2.257 10 0 AEAEHN CC[C@@H]1O[C@@H](c2ccccc2)N[C@@H]1C 238279090 573103838 /nfs/dbraw/zinc/10/38/38/573103838.db2.gz MPFOSNZYGHHLSL-USWWRNFRSA-N 0 3 191.274 2.472 10 0 AEAEHN C[C@@]1(c2ccccn2)CCCCN1 77266433 573104175 /nfs/dbraw/zinc/10/41/75/573104175.db2.gz GPFAFOFRFPSEHG-NSHDSACASA-N 0 3 176.263 2.070 10 0 AEAEHN COc1ccc(F)cc1[C@@H]1C[C@H](C)N1 259035919 573104599 /nfs/dbraw/zinc/10/45/99/573104599.db2.gz BTRNWLQZWJQSSW-XVKPBYJWSA-N 0 3 195.237 2.257 10 0 AEAEHN CCOc1ccc(S[C@H](C)N)cc1 259328035 573105131 /nfs/dbraw/zinc/10/51/31/573105131.db2.gz WSLCDFYWMZXCFP-MRVPVSSYSA-N 0 3 197.303 2.482 10 0 AEAEHN CC[C@@H](N)c1ccsc1F 238284988 573105199 /nfs/dbraw/zinc/10/51/99/573105199.db2.gz UBCXSHLQDTVYEZ-ZCFIWIBFSA-N 0 3 159.229 2.297 10 0 AEAEHN COc1ccc(F)cc1[C@H]1C[C@H](C)N1 259035915 573105389 /nfs/dbraw/zinc/10/53/89/573105389.db2.gz BTRNWLQZWJQSSW-OIBJUYFYSA-N 0 3 195.237 2.257 10 0 AEAEHN CCOc1ccc(S[C@@H](C)N)cc1 259328040 573105405 /nfs/dbraw/zinc/10/54/05/573105405.db2.gz WSLCDFYWMZXCFP-QMMMGPOBSA-N 0 3 197.303 2.482 10 0 AEAEHN COc1ccc(F)cc1[C@H]1C[C@@H](C)N1 259035914 573105553 /nfs/dbraw/zinc/10/55/53/573105553.db2.gz BTRNWLQZWJQSSW-GMSGAONNSA-N 0 3 195.237 2.257 10 0 AEAEHN CCc1ccc([C@H]2CCNC[C@@H]2F)o1 238284763 573106310 /nfs/dbraw/zinc/10/63/10/573106310.db2.gz INHULRVGVUWCEF-UWVGGRQHSA-N 0 3 197.253 2.257 10 0 AEAEHN CCN[C@@H](C[C@H](C)OC)c1ccco1 128713294 573106536 /nfs/dbraw/zinc/10/65/36/573106536.db2.gz BWPXAALSTMYUSX-UWVGGRQHSA-N 0 3 197.278 2.355 10 0 AEAEHN CC[C@@H](N)c1ccc(F)s1 238279453 573107351 /nfs/dbraw/zinc/10/73/51/573107351.db2.gz RGDQSKLCLRFPNU-RXMQYKEDSA-N 0 3 159.229 2.297 10 0 AEAEHN CCN[C@@H](C[C@H](C)OC)c1ccoc1 128700723 573107939 /nfs/dbraw/zinc/10/79/39/573107939.db2.gz PTTZKGNOCZRYFZ-ONGXEEELSA-N 0 3 197.278 2.355 10 0 AEAEHN CC[C@H]1CO[C@@H](c2ccc(C)cc2)N1 142014536 573108059 /nfs/dbraw/zinc/10/80/59/573108059.db2.gz SCZFHAGQNINGNH-RYUDHWBXSA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1ccccc1[C@H](F)C1(N)CC1 257953549 573108210 /nfs/dbraw/zinc/10/82/10/573108210.db2.gz WNMMFBMLKKSIIQ-JTQLQIEISA-N 0 3 179.238 2.497 10 0 AEAEHN C[C@H](F)CCN(C)Cc1ccco1 308262658 573108272 /nfs/dbraw/zinc/10/82/72/573108272.db2.gz ODMZENPCWCMRMN-VIFPVBQESA-N 0 3 185.242 2.460 10 0 AEAEHN CC1CC(Nc2ccncc2)C1 123625387 573108927 /nfs/dbraw/zinc/10/89/27/573108927.db2.gz YJPWMDNESUFPCI-UHFFFAOYSA-N 0 3 162.236 2.292 10 0 AEAEHN CCc1ccc([C@@H]2CCNC[C@@H]2F)o1 238280142 573109229 /nfs/dbraw/zinc/10/92/29/573109229.db2.gz INHULRVGVUWCEF-ZJUUUORDSA-N 0 3 197.253 2.257 10 0 AEAEHN CCN[C@H](C[C@H](C)OC)c1ccoc1 128700934 573109292 /nfs/dbraw/zinc/10/92/92/573109292.db2.gz PTTZKGNOCZRYFZ-GXSJLCMTSA-N 0 3 197.278 2.355 10 0 AEAEHN CCc1ccc([C@H]2CCNC[C@H]2F)o1 238284786 573109754 /nfs/dbraw/zinc/10/97/54/573109754.db2.gz INHULRVGVUWCEF-VHSXEESVSA-N 0 3 197.253 2.257 10 0 AEAEHN CN(C)C/C=C\CNc1ccccc1 308264192 573110186 /nfs/dbraw/zinc/11/01/86/573110186.db2.gz SPVVKZPEIGBJSY-SREVYHEPSA-N 0 3 190.290 2.216 10 0 AEAEHN CC[C@@H](N)c1cscc1OC 238286908 573110762 /nfs/dbraw/zinc/11/07/62/573110762.db2.gz SSPDGFVMRISQMO-SSDOTTSWSA-N 0 3 171.265 2.167 10 0 AEAEHN CCN[C@H](C[C@@H](C)OC)c1ccoc1 128700525 573110935 /nfs/dbraw/zinc/11/09/35/573110935.db2.gz PTTZKGNOCZRYFZ-MWLCHTKSSA-N 0 3 197.278 2.355 10 0 AEAEHN CCN[C@H](C[C@H](C)OC)c1ccco1 128713500 573112331 /nfs/dbraw/zinc/11/23/31/573112331.db2.gz BWPXAALSTMYUSX-VHSXEESVSA-N 0 3 197.278 2.355 10 0 AEAEHN Cc1ccccc1[C@@H](F)C1(N)CC1 257953551 573111719 /nfs/dbraw/zinc/11/17/19/573111719.db2.gz WNMMFBMLKKSIIQ-SNVBAGLBSA-N 0 3 179.238 2.497 10 0 AEAEHN CCN[C@H](C[C@@H](C)OC)c1ccco1 128713057 573112057 /nfs/dbraw/zinc/11/20/57/573112057.db2.gz BWPXAALSTMYUSX-NXEZZACHSA-N 0 3 197.278 2.355 10 0 AEAEHN CCc1nccc2[nH]c(C)cc12 238285259 573112211 /nfs/dbraw/zinc/11/22/11/573112211.db2.gz PZVHQQOPYPLRLL-UHFFFAOYSA-N 0 3 160.220 2.434 10 0 AEAEHN CCc1nccc2[nH]cc(C)c12 238285274 573112268 /nfs/dbraw/zinc/11/22/68/573112268.db2.gz RROIPXQJJHJYLD-UHFFFAOYSA-N 0 3 160.220 2.434 10 0 AEAEHN CC[C@@H](N)c1cscc1F 238286856 573112376 /nfs/dbraw/zinc/11/23/76/573112376.db2.gz JGCDPISOONVCST-SSDOTTSWSA-N 0 3 159.229 2.297 10 0 AEAEHN CC(C)(N)SC1CCCC1 259333487 573112982 /nfs/dbraw/zinc/11/29/82/573112982.db2.gz XGVYLOCOIGBULU-UHFFFAOYSA-N 0 3 159.298 2.357 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccc(C)c(F)c1 223898304 573113267 /nfs/dbraw/zinc/11/32/67/573113267.db2.gz LLSGKDUHHKMICA-KWQFWETISA-N 0 3 197.253 2.169 10 0 AEAEHN CNC[C@](C)(F)Cc1ccccc1 257944783 573113287 /nfs/dbraw/zinc/11/32/87/573113287.db2.gz VOEIVZICSFHXSW-LLVKDONJSA-N 0 3 181.254 2.177 10 0 AEAEHN CC[C@@H](N)c1coc(Cl)c1 238286326 573114101 /nfs/dbraw/zinc/11/41/01/573114101.db2.gz QBGIKLPSXBOKMJ-ZCFIWIBFSA-N 0 3 159.616 2.343 10 0 AEAEHN C[Si](C)(C)Nc1ccncc1 197991503 573114144 /nfs/dbraw/zinc/11/41/44/573114144.db2.gz WISIJJMERCWRBN-UHFFFAOYSA-N 0 3 166.300 2.328 10 0 AEAEHN CC(C)[C@H]1CO[C@@H](c2ccccc2)N1 142054698 573114860 /nfs/dbraw/zinc/11/48/60/573114860.db2.gz WSZKRHYWXLUCLK-NEPJUHHUSA-N 0 3 191.274 2.330 10 0 AEAEHN CCc1ccc2c(c1)[C@H](C)NC2 238288577 573115369 /nfs/dbraw/zinc/11/53/69/573115369.db2.gz BGIZVJUDPCDRJQ-QMMMGPOBSA-N 0 3 161.248 2.413 10 0 AEAEHN CC[C@@H]1NCO[C@H]1c1ccccc1 238288104 573115406 /nfs/dbraw/zinc/11/54/06/573115406.db2.gz ICSRAKNVRKLGGU-QWRGUYRKSA-N 0 3 177.247 2.084 10 0 AEAEHN CNC[C@@](C)(F)Cc1ccccc1 257944787 573115881 /nfs/dbraw/zinc/11/58/81/573115881.db2.gz VOEIVZICSFHXSW-NSHDSACASA-N 0 3 181.254 2.177 10 0 AEAEHN CCN(C)Cc1cccc(Cl)n1 85696880 573116154 /nfs/dbraw/zinc/11/61/54/573116154.db2.gz BPKDVUMFGQLXNN-UHFFFAOYSA-N 0 3 184.670 2.187 10 0 AEAEHN CCCOC[C@H](N)c1coc(C)c1 131924521 573116289 /nfs/dbraw/zinc/11/62/89/573116289.db2.gz KTSCVHBKBUNOHG-JTQLQIEISA-N 0 3 183.251 2.014 10 0 AEAEHN CC[C@H](c1ccc[nH]1)N(C)C 238287278 573117015 /nfs/dbraw/zinc/11/70/15/573117015.db2.gz WVPQBIPXVJWEMG-SECBINFHSA-N 0 3 152.241 2.027 10 0 AEAEHN CC[C@@H](N)c1[nH]c2ccccc2c1N 238287862 573117178 /nfs/dbraw/zinc/11/71/78/573117178.db2.gz ARHKNPVCAZRLFU-MRVPVSSYSA-N 0 3 189.262 2.160 10 0 AEAEHN CCCOC[C@@H](N)c1coc(C)c1 131924770 573117186 /nfs/dbraw/zinc/11/71/86/573117186.db2.gz KTSCVHBKBUNOHG-SNVBAGLBSA-N 0 3 183.251 2.014 10 0 AEAEHN CC[C@@H]([NH3+])c1[nH]c2ccccc2c1[O-] 238287869 573117522 /nfs/dbraw/zinc/11/75/22/573117522.db2.gz FTOXMLQJTRXTKY-MRVPVSSYSA-N 0 3 190.246 2.283 10 0 AEAEHN CCc1ccc2c(c1)[C@H](N)CCC2=O 238287347 573117619 /nfs/dbraw/zinc/11/76/19/573117619.db2.gz AAKWKUZVRFSNPQ-LLVKDONJSA-N 0 3 189.258 2.225 10 0 AEAEHN CC[C@@H](N)c1cc(F)cc2c1OCC2 238288465 573117959 /nfs/dbraw/zinc/11/79/59/573117959.db2.gz AKYMVKJDPRZZTN-SNVBAGLBSA-N 0 3 195.237 2.170 10 0 AEAEHN CCSCCN[C@H](C)c1ccc[nH]1 308273538 573117973 /nfs/dbraw/zinc/11/79/73/573117973.db2.gz UEKGBDLOYITIJK-SECBINFHSA-N 0 3 198.335 2.418 10 0 AEAEHN CC[C@@H]1NCO[C@@H]1c1ccccc1 238288087 573117974 /nfs/dbraw/zinc/11/79/74/573117974.db2.gz ICSRAKNVRKLGGU-WDEREUQCSA-N 0 3 177.247 2.084 10 0 AEAEHN CC[C@@H]1NC[C@@H](C)N1c1ccccc1 238288184 573118218 /nfs/dbraw/zinc/11/82/18/573118218.db2.gz JGRUGOFIESNUSO-ZYHUDNBSSA-N 0 3 190.290 2.221 10 0 AEAEHN CC[C@@H]1NC[C@H](C)N1c1ccccc1 238288481 573118306 /nfs/dbraw/zinc/11/83/06/573118306.db2.gz JGRUGOFIESNUSO-CMPLNLGQSA-N 0 3 190.290 2.221 10 0 AEAEHN CCc1ccc2c(c1)[C@@H](N)CCC2=O 238287392 573118437 /nfs/dbraw/zinc/11/84/37/573118437.db2.gz AAKWKUZVRFSNPQ-NSHDSACASA-N 0 3 189.258 2.225 10 0 AEAEHN CC[C@@H](N)c1nccc2ncccc12 238287410 573119241 /nfs/dbraw/zinc/11/92/41/573119241.db2.gz MPWWOJXHRDPTBN-SECBINFHSA-N 0 3 187.246 2.040 10 0 AEAEHN CCSCCN[C@@H](C)c1ccc[nH]1 308273539 573119258 /nfs/dbraw/zinc/11/92/58/573119258.db2.gz UEKGBDLOYITIJK-VIFPVBQESA-N 0 3 198.335 2.418 10 0 AEAEHN C[C@@H]1OCC[C@@]1(C)Nc1ccncc1 235471758 573119297 /nfs/dbraw/zinc/11/92/97/573119297.db2.gz NCEJSWTTZBDMOZ-GXSJLCMTSA-N 0 3 192.262 2.061 10 0 AEAEHN CCc1ccoc1[C@H](N)CC 238287682 573119445 /nfs/dbraw/zinc/11/94/45/573119445.db2.gz VDOVBVNXOTYNNR-MRVPVSSYSA-N 0 3 153.225 2.252 10 0 AEAEHN CCCOC[C@H](N)c1cc(C)oc1C 131946323 573120482 /nfs/dbraw/zinc/12/04/82/573120482.db2.gz CIEXUDUZAICREP-NSHDSACASA-N 0 3 197.278 2.323 10 0 AEAEHN Cc1cc([O-])c(F)c([C@@H](C)CC[NH3+])c1 257947644 573120426 /nfs/dbraw/zinc/12/04/26/573120426.db2.gz AMIWWKHWAJEQFO-QMMMGPOBSA-N 0 3 197.253 2.292 10 0 AEAEHN Cc1cc([O-])c(F)c([C@H](C)CC[NH3+])c1 257947641 573120852 /nfs/dbraw/zinc/12/08/52/573120852.db2.gz AMIWWKHWAJEQFO-MRVPVSSYSA-N 0 3 197.253 2.292 10 0 AEAEHN NCc1cc(F)c(Cl)c(F)c1F 259330682 573120853 /nfs/dbraw/zinc/12/08/53/573120853.db2.gz FCDUCVJMVJUOPC-UHFFFAOYSA-N 0 3 195.571 2.216 10 0 AEAEHN CSC[C@@H]1NCc2ccccc21 258233742 573122001 /nfs/dbraw/zinc/12/20/01/573122001.db2.gz RWUOEIXLTIDFLZ-JTQLQIEISA-N 0 3 179.288 2.194 10 0 AEAEHN CN[C@H](C=C(C)C)c1cnc(C)s1 642846711 573122045 /nfs/dbraw/zinc/12/20/45/573122045.db2.gz MJNYCPWGCBZLAI-SECBINFHSA-N 0 3 195.311 2.350 10 0 AEAEHN Cc1noc(C2CCCC2)c1CN 257947712 573122119 /nfs/dbraw/zinc/12/21/19/573122119.db2.gz VVVAYGWPKYSXJJ-UHFFFAOYSA-N 0 3 180.251 2.099 10 0 AEAEHN Cc1cc([O-])c(F)c(CC(C)(C)[NH3+])c1 257947810 573123116 /nfs/dbraw/zinc/12/31/16/573123116.db2.gz AQGQICVBCKTHQT-UHFFFAOYSA-N 0 3 197.253 2.120 10 0 AEAEHN CC(=O)CC1=CCCN(C(C)C)C1 257948108 573123225 /nfs/dbraw/zinc/12/32/25/573123225.db2.gz DZRSBWIPACGFRQ-UHFFFAOYSA-N 0 3 181.279 2.006 10 0 AEAEHN CSC[C@H]1NCc2ccccc21 258233747 573123615 /nfs/dbraw/zinc/12/36/15/573123615.db2.gz RWUOEIXLTIDFLZ-SNVBAGLBSA-N 0 3 179.288 2.194 10 0 AEAEHN CCc1ccc2c(c1)[C@@H](C)NC2 238288611 573123727 /nfs/dbraw/zinc/12/37/27/573123727.db2.gz BGIZVJUDPCDRJQ-MRVPVSSYSA-N 0 3 161.248 2.413 10 0 AEAEHN CCCOC[C@@H](N)c1cc(C)oc1C 131946512 573124018 /nfs/dbraw/zinc/12/40/18/573124018.db2.gz CIEXUDUZAICREP-LLVKDONJSA-N 0 3 197.278 2.323 10 0 AEAEHN CNCc1cc(F)ccc1SC 82616369 573124700 /nfs/dbraw/zinc/12/47/00/573124700.db2.gz FMDCLWSJANDUHW-UHFFFAOYSA-N 0 3 185.267 2.267 10 0 AEAEHN CC(C)CC(F)(F)[C@@H]1CCCN1 257949326 573125967 /nfs/dbraw/zinc/12/59/67/573125967.db2.gz VZPAPEVPBZUDHB-QMMMGPOBSA-N 0 3 177.238 2.420 10 0 AEAEHN CN(C)C(C)(C)[C@@H](O)c1ccsc1 85735034 573126876 /nfs/dbraw/zinc/12/68/76/573126876.db2.gz PBKIGSCOSHQTCO-VIFPVBQESA-N 0 3 199.319 2.122 10 0 AEAEHN CN(C)C(C)(C)C(=O)C1CCCC1 85734499 573127137 /nfs/dbraw/zinc/12/71/37/573127137.db2.gz ZETGSXUOJIDQNC-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1cc(F)cc2nccc(N)c12 85732109 573127584 /nfs/dbraw/zinc/12/75/84/573127584.db2.gz JBFXWSAJENCDJZ-UHFFFAOYSA-N 0 3 176.194 2.265 10 0 AEAEHN Cc1ncccc1N1CCCCC1=N 85728268 573127609 /nfs/dbraw/zinc/12/76/09/573127609.db2.gz ICAMRLOATQOIGE-UHFFFAOYSA-N 0 3 189.262 2.358 10 0 AEAEHN NCc1c(C2CC2)oc2c1CCC2 74306994 573128714 /nfs/dbraw/zinc/12/87/14/573128714.db2.gz HGKGAGVQYDVNTF-UHFFFAOYSA-N 0 3 177.247 2.104 10 0 AEAEHN CN(C)C(C)(C)C(=O)CC1CCCC1 85734505 573128857 /nfs/dbraw/zinc/12/88/57/573128857.db2.gz PRLURGMFNJDKMJ-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CN(C)C(C)(C)[C@H](N)c1ccsc1 85736246 573129502 /nfs/dbraw/zinc/12/95/02/573129502.db2.gz BVOAEVKZUDMJIB-SECBINFHSA-N 0 3 198.335 2.088 10 0 AEAEHN CN(C)C(C)(C)[C@H](N)c1cccs1 85737103 573129981 /nfs/dbraw/zinc/12/99/81/573129981.db2.gz PAZAUUGBUTUKDD-SECBINFHSA-N 0 3 198.335 2.088 10 0 AEAEHN CN(C)C(C)(C)[C@@H](N)c1cccs1 85737106 573130264 /nfs/dbraw/zinc/13/02/64/573130264.db2.gz PAZAUUGBUTUKDD-VIFPVBQESA-N 0 3 198.335 2.088 10 0 AEAEHN Nc1ccccc1/C=C\C1=NOCC1 225236968 573130352 /nfs/dbraw/zinc/13/03/52/573130352.db2.gz KRRGSUYEUGMJCZ-WAYWQWQTSA-N 0 3 188.230 2.058 10 0 AEAEHN CC(C)CC(F)(F)[C@H]1CCCN1 257949325 573130429 /nfs/dbraw/zinc/13/04/29/573130429.db2.gz VZPAPEVPBZUDHB-MRVPVSSYSA-N 0 3 177.238 2.420 10 0 AEAEHN CC(C)CC(C)(C)CNC1COC1 308272244 573130801 /nfs/dbraw/zinc/13/08/01/573130801.db2.gz SODCGLCIRZVEGE-UHFFFAOYSA-N 0 3 185.311 2.047 10 0 AEAEHN CN(C)C(C)(C)[C@@H](O)c1cccs1 85735289 573130921 /nfs/dbraw/zinc/13/09/21/573130921.db2.gz FXQBLJUPPYDMSJ-VIFPVBQESA-N 0 3 199.319 2.122 10 0 AEAEHN CCCCC(=O)C(C)(C)N(C)C 85734320 573131216 /nfs/dbraw/zinc/13/12/16/573131216.db2.gz XFSHEASCYBRPFF-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN C[C@@H]1C[C@@H](c2ccccc2F)N1 259336458 573131320 /nfs/dbraw/zinc/13/13/20/573131320.db2.gz VASJKXLXGHZRJB-XCBNKYQSSA-N 0 3 165.211 2.249 10 0 AEAEHN Cc1cc(F)cc(NCCN(C)C)c1 85731026 573131496 /nfs/dbraw/zinc/13/14/96/573131496.db2.gz QKQMFLSYXZBAMU-UHFFFAOYSA-N 0 3 196.269 2.108 10 0 AEAEHN CN(C)C(C)(C)[C@H](O)c1cccs1 85735285 573131584 /nfs/dbraw/zinc/13/15/84/573131584.db2.gz FXQBLJUPPYDMSJ-SECBINFHSA-N 0 3 199.319 2.122 10 0 AEAEHN C[C@@H]1C[C@@H](N)c2c(F)ccc(F)c21 82617938 573131589 /nfs/dbraw/zinc/13/15/89/573131589.db2.gz KVDJGMKHBDTXGG-SVGQVSJJSA-N 0 3 183.201 2.472 10 0 AEAEHN CCN(CC)[C@@](C)(CC)C(=O)C1CC1 85747229 573132771 /nfs/dbraw/zinc/13/27/71/573132771.db2.gz RUDUIWCHBBGFIX-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CNCc1ccn([C@@H](C)CC(C)C)n1 308502334 573131784 /nfs/dbraw/zinc/13/17/84/573131784.db2.gz XDEPDIXFCJNLTP-JTQLQIEISA-N 0 3 195.310 2.210 10 0 AEAEHN C[C@H]1C[C@H](N)c2c(F)ccc(F)c21 82617937 573131825 /nfs/dbraw/zinc/13/18/25/573131825.db2.gz KVDJGMKHBDTXGG-XNCJUZBTSA-N 0 3 183.201 2.472 10 0 AEAEHN CN(C)C(C)(C)C(=O)C1CCCCC1 85734559 573131934 /nfs/dbraw/zinc/13/19/34/573131934.db2.gz GZKQYOPVXKDOCO-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CN(C)C(C)(C)[C@H](O)c1ccsc1 85735032 573132012 /nfs/dbraw/zinc/13/20/12/573132012.db2.gz PBKIGSCOSHQTCO-SECBINFHSA-N 0 3 199.319 2.122 10 0 AEAEHN C[C@@H]1C[C@H](N)c2c(F)ccc(F)c21 82617936 573132051 /nfs/dbraw/zinc/13/20/51/573132051.db2.gz KVDJGMKHBDTXGG-XRGYYRRGSA-N 0 3 183.201 2.472 10 0 AEAEHN Cc1ccccc1N[C@H]1CCCN1 257951866 573132092 /nfs/dbraw/zinc/13/20/92/573132092.db2.gz WIGBXFXRJFAGHK-NSHDSACASA-N 0 3 176.263 2.116 10 0 AEAEHN CCc1cc(F)c([O-])c(/C=C/C[NH3+])c1 257951705 573132144 /nfs/dbraw/zinc/13/21/44/573132144.db2.gz AXXFRHXGUAEITD-ONEGZZNKSA-N 0 3 195.237 2.066 10 0 AEAEHN C[C@H]1C[C@H](c2ccccc2F)N1 259336456 573132173 /nfs/dbraw/zinc/13/21/73/573132173.db2.gz VASJKXLXGHZRJB-OIBJUYFYSA-N 0 3 165.211 2.249 10 0 AEAEHN CNCc1ccn([C@H](C)CC(C)C)n1 308502335 573132185 /nfs/dbraw/zinc/13/21/85/573132185.db2.gz XDEPDIXFCJNLTP-SNVBAGLBSA-N 0 3 195.310 2.210 10 0 AEAEHN C[C@H]1C[C@@H](c2ccccc2F)N1 259336460 573132260 /nfs/dbraw/zinc/13/22/60/573132260.db2.gz VASJKXLXGHZRJB-XVKPBYJWSA-N 0 3 165.211 2.249 10 0 AEAEHN CC[C@@H](N)c1ccccc1NC(C)=O 238283971 573132323 /nfs/dbraw/zinc/13/23/23/573132323.db2.gz LOKOQYAOWQKIQV-SNVBAGLBSA-N 0 3 192.262 2.055 10 0 AEAEHN CN(C)C1(C(=O)C(C)(C)C)CCCC1 85751467 573133713 /nfs/dbraw/zinc/13/37/13/573133713.db2.gz QWDGNJYCANUINK-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)(C)C(=O)C(C)(C)N1CCCC1 85739697 573132661 /nfs/dbraw/zinc/13/26/61/573132661.db2.gz SVPJKDWISXQMMG-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN Cn1ccnc1NCC1(C)CCCC1 82625602 573132826 /nfs/dbraw/zinc/13/28/26/573132826.db2.gz SPZDMVDWZZSXEY-UHFFFAOYSA-N 0 3 193.294 2.412 10 0 AEAEHN CCC(=O)[C@@]1(N(C)C)CCC[C@@H](C)C1 85753508 573132851 /nfs/dbraw/zinc/13/28/51/573132851.db2.gz ODEWXRJUYSBRNG-ZYHUDNBSSA-N 0 3 197.322 2.476 10 0 AEAEHN c1cc(NCc2cscn2)ccn1 82626428 573133055 /nfs/dbraw/zinc/13/30/55/573133055.db2.gz LIHNBDJAMSJSNC-UHFFFAOYSA-N 0 3 191.259 2.150 10 0 AEAEHN CC[C@@](C)(C(C)=O)N1CCCCC1 85749365 573133390 /nfs/dbraw/zinc/13/33/90/573133390.db2.gz XMWYXCINIIIIIC-NSHDSACASA-N 0 3 183.295 2.230 10 0 AEAEHN CC(C)Cc1cnc([C@H]2CCCN2)o1 225247936 573133585 /nfs/dbraw/zinc/13/35/85/573133585.db2.gz AOFLTXHBPZOXJY-SNVBAGLBSA-N 0 3 194.278 2.298 10 0 AEAEHN CCc1cn2c(N)cnc2cc1Cl 238299237 573133602 /nfs/dbraw/zinc/13/36/02/573133602.db2.gz FBJXDUCHYIFMJP-UHFFFAOYSA-N 0 3 195.653 2.132 10 0 AEAEHN C[C@H]1C[C@@H](N)c2c(F)ccc(F)c21 82617939 573133705 /nfs/dbraw/zinc/13/37/05/573133705.db2.gz KVDJGMKHBDTXGG-YLWLKBPMSA-N 0 3 183.201 2.472 10 0 AEAEHN c1ncc(CN[C@@H]2C[C@H]2C2CC2)s1 308278808 573133818 /nfs/dbraw/zinc/13/38/18/573133818.db2.gz WYBUWSFYBNYFNB-VHSXEESVSA-N 0 3 194.303 2.031 10 0 AEAEHN CC(C)C(=O)C1(N(C)C)CCCCC1 85752880 573133839 /nfs/dbraw/zinc/13/38/39/573133839.db2.gz XJNLFPVHYKRBKO-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H](N)c1ccnc(Cl)c1F 238284631 573133928 /nfs/dbraw/zinc/13/39/28/573133928.db2.gz KHVDZSGPEJGXRA-ZCFIWIBFSA-N 0 3 188.633 2.284 10 0 AEAEHN CN[C@H]1Cc2c(Cl)cccc21 258537511 573133965 /nfs/dbraw/zinc/13/39/65/573133965.db2.gz OCEMVPBMNPUNGU-VIFPVBQESA-N 0 3 167.639 2.157 10 0 AEAEHN c1ncc(CN[C@H]2C[C@@H]2C2CC2)s1 308278810 573134396 /nfs/dbraw/zinc/13/43/96/573134396.db2.gz WYBUWSFYBNYFNB-ZJUUUORDSA-N 0 3 194.303 2.031 10 0 AEAEHN C[C@@H]1C[C@H](c2ccccc2F)N1 259336454 573134585 /nfs/dbraw/zinc/13/45/85/573134585.db2.gz VASJKXLXGHZRJB-GMSGAONNSA-N 0 3 165.211 2.249 10 0 AEAEHN CC(=O)[C@]1(N(C)C)CCC[C@@H](C)C1 85753565 573134622 /nfs/dbraw/zinc/13/46/22/573134622.db2.gz VTWNNNLJPMWRSC-KOLCDFICSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@]1(N(C)C)CCC[C@H](C)C1 85753566 573134736 /nfs/dbraw/zinc/13/47/36/573134736.db2.gz VTWNNNLJPMWRSC-ONGXEEELSA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1ccccc1N[C@@H]1CCCN1 257951864 573135294 /nfs/dbraw/zinc/13/52/94/573135294.db2.gz WIGBXFXRJFAGHK-LLVKDONJSA-N 0 3 176.263 2.116 10 0 AEAEHN c1ncc(CN[C@@H]2C[C@@H]2C2CC2)s1 308278804 573135408 /nfs/dbraw/zinc/13/54/08/573135408.db2.gz WYBUWSFYBNYFNB-NXEZZACHSA-N 0 3 194.303 2.031 10 0 AEAEHN c1ncc(CN[C@H]2C[C@H]2C2CC2)s1 308278806 573135478 /nfs/dbraw/zinc/13/54/78/573135478.db2.gz WYBUWSFYBNYFNB-UWVGGRQHSA-N 0 3 194.303 2.031 10 0 AEAEHN COc1c(C)ccc(F)c1C(C)(C)N 257951725 573135341 /nfs/dbraw/zinc/13/53/41/573135341.db2.gz AYWZBJVCMXZRSO-UHFFFAOYSA-N 0 3 197.253 2.337 10 0 AEAEHN CCCCC(=O)[C@@](C)(CC)N(C)C 85742981 573135568 /nfs/dbraw/zinc/13/55/68/573135568.db2.gz UMHYJKCWNSOFPT-LLVKDONJSA-N 0 3 185.311 2.476 10 0 AEAEHN CCC(=O)C(C)(C)N1CCCCC1 85740979 573136131 /nfs/dbraw/zinc/13/61/31/573136131.db2.gz ZPALJIJXKLFKRM-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CC(C)C(=O)C1(N(C)C)CCCC1 85751490 573136153 /nfs/dbraw/zinc/13/61/53/573136153.db2.gz GMOMCZDXZYSUKS-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@](C)(C(C)=O)N1CCCCC1 85749367 573136370 /nfs/dbraw/zinc/13/63/70/573136370.db2.gz XMWYXCINIIIIIC-LLVKDONJSA-N 0 3 183.295 2.230 10 0 AEAEHN Cc1ccnc([C@@H](N)C(C)C)c1 82643668 573136380 /nfs/dbraw/zinc/13/63/80/573136380.db2.gz FWLKCWGLJVQOTD-JTQLQIEISA-N 0 3 164.252 2.046 10 0 AEAEHN CC(=O)[C@H]1CCCN(CC=C(C)C)C1 82644693 573136467 /nfs/dbraw/zinc/13/64/67/573136467.db2.gz GNNLKTFLQZKDBD-LBPRGKRZSA-N 0 3 195.306 2.254 10 0 AEAEHN Cc1cccc(-c2ocnc2CN)c1 82636082 573136625 /nfs/dbraw/zinc/13/66/25/573136625.db2.gz LITRVLVCXUPOSK-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CCC(=O)C1(N(C)C)CCC(C)CC1 85753288 573136627 /nfs/dbraw/zinc/13/66/27/573136627.db2.gz OXTGMJACRUEOMX-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CCN(CC)C(C)(C)C(=O)CC1CC1 85738559 573136830 /nfs/dbraw/zinc/13/68/30/573136830.db2.gz LHAUEYHONAFMJR-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(=O)C1(N2CCCCC2)CCCC1 85752648 573136940 /nfs/dbraw/zinc/13/69/40/573136940.db2.gz LTBQZQGCWWKSCN-UHFFFAOYSA-N 0 3 195.306 2.374 10 0 AEAEHN CC(C)(C(=O)CC1CC1)N1CCCC1 85739880 573137188 /nfs/dbraw/zinc/13/71/88/573137188.db2.gz HYCBEIGRIXEJPZ-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@H](NC)c1cc(C)ccn1 82643721 573137205 /nfs/dbraw/zinc/13/72/05/573137205.db2.gz MEPKGDBQBFWMNF-SECBINFHSA-N 0 3 164.252 2.061 10 0 AEAEHN CC(=O)[C@@]1(N(C)C)CCC[C@H](C)C1 85753563 573137272 /nfs/dbraw/zinc/13/72/72/573137272.db2.gz VTWNNNLJPMWRSC-GXSJLCMTSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)C1(N(C)C)CCC(C)CC1 85753304 573137294 /nfs/dbraw/zinc/13/72/94/573137294.db2.gz IGMFQRWJWDYNQG-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)[C@@]1(N(C)C)CCC[C@H](C)C1 85753504 573137409 /nfs/dbraw/zinc/13/74/09/573137409.db2.gz ODEWXRJUYSBRNG-CMPLNLGQSA-N 0 3 197.322 2.476 10 0 AEAEHN CN(C)C1(C(=O)C2CC2)CCCCC1 85752870 573137427 /nfs/dbraw/zinc/13/74/27/573137427.db2.gz GCURUYPQOBHIIQ-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(=O)C(C)(C)N1CCCCCC1 85742593 573137436 /nfs/dbraw/zinc/13/74/36/573137436.db2.gz AZWYIHHOPGGVQF-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CCC(=O)[C@]1(N(C)C)CCC[C@H](C)C1 85753500 573137477 /nfs/dbraw/zinc/13/74/77/573137477.db2.gz ODEWXRJUYSBRNG-JQWIXIFHSA-N 0 3 197.322 2.476 10 0 AEAEHN Cc1ccnc([C@@H](N)CC(C)C)c1 82643631 573137484 /nfs/dbraw/zinc/13/74/84/573137484.db2.gz HLOQSLXECIGKQB-JTQLQIEISA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1ccsc1-c1ocnc1CN 82637266 573138994 /nfs/dbraw/zinc/13/89/94/573138994.db2.gz JIODLSIJAFTROH-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN C=Cc1cccc2c1OCC[C@@H]2N 104660974 573137995 /nfs/dbraw/zinc/13/79/95/573137995.db2.gz LTUIKXSBSHHXNP-JTQLQIEISA-N 0 3 175.231 2.112 10 0 AEAEHN CC(=O)[C@@]1(N(C)C)CCC[C@@H](C)C1 85753561 573138000 /nfs/dbraw/zinc/13/80/00/573138000.db2.gz VTWNNNLJPMWRSC-MWLCHTKSSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)C(=O)C(C)(C)N1CCCCC1 85741023 573138202 /nfs/dbraw/zinc/13/82/02/573138202.db2.gz OCBZFXJTNQJHSG-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN NCc1cnccc1[C@@H]1CCCS1 258235681 573138052 /nfs/dbraw/zinc/13/80/52/573138052.db2.gz ZWUDYNAKKFNPIZ-JTQLQIEISA-N 0 3 194.303 2.108 10 0 AEAEHN CC(C)c1c(CN)cnn1C(C)C 82635208 573138086 /nfs/dbraw/zinc/13/80/86/573138086.db2.gz ZHPDMTRVBGMJCY-UHFFFAOYSA-N 0 3 181.283 2.046 10 0 AEAEHN Cc1cc2c(cc1Cl)OC[C@H]2N 104659670 573138207 /nfs/dbraw/zinc/13/82/07/573138207.db2.gz YZZWFVNTTWWDGA-MRVPVSSYSA-N 0 3 183.638 2.041 10 0 AEAEHN CN[C@@H]1Cc2c(Cl)cccc21 258537508 573138323 /nfs/dbraw/zinc/13/83/23/573138323.db2.gz OCEMVPBMNPUNGU-SECBINFHSA-N 0 3 167.639 2.157 10 0 AEAEHN CCC(=O)C1(N(C)C)CCCCC1 85752859 573138324 /nfs/dbraw/zinc/13/83/24/573138324.db2.gz SJUYFZOGXUBWKW-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CC(C)C(=O)C(C)(C)N1CCCC1 85739746 573138355 /nfs/dbraw/zinc/13/83/55/573138355.db2.gz XKMFDHLBVOZUIN-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)[C@]1(N(C)C)CCC[C@@H](C)C1 85753506 573138447 /nfs/dbraw/zinc/13/84/47/573138447.db2.gz ODEWXRJUYSBRNG-PWSUYJOCSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC[C@H](N)c1ccc(C)cn1 104661551 573138789 /nfs/dbraw/zinc/13/87/89/573138789.db2.gz IHTQBZDEQAFHPK-VIFPVBQESA-N 0 3 164.252 2.190 10 0 AEAEHN Cc1cc(-c2ocnc2CN)c(C)o1 82636749 573138973 /nfs/dbraw/zinc/13/89/73/573138973.db2.gz MSVRYLCVSCPVEQ-UHFFFAOYSA-N 0 3 192.218 2.010 10 0 AEAEHN CSc1ccc([C@H](C)[NH3+])cc1[O-] 257955940 573139161 /nfs/dbraw/zinc/13/91/61/573139161.db2.gz BJHHFHJQINWQEJ-LURJTMIESA-N 0 3 183.276 2.134 10 0 AEAEHN CCc1c(F)ccc2c1[C@H](N)CCO2 238299619 573139343 /nfs/dbraw/zinc/13/93/43/573139343.db2.gz DCZPLFRHLLRCOQ-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN COc1cc(SC)ccc1[C@H](C)N 257955921 573139505 /nfs/dbraw/zinc/13/95/05/573139505.db2.gz BIVBNPFZHXDERK-ZETCQYMHSA-N 0 3 197.303 2.437 10 0 AEAEHN CC(C)Nc1ccc(F)c(CN)c1 82635299 573139754 /nfs/dbraw/zinc/13/97/54/573139754.db2.gz QRCCFQUIKQFJPJ-UHFFFAOYSA-N 0 3 182.242 2.105 10 0 AEAEHN Cc1ccnc([C@H](N)C(C)(C)C)c1 82643710 573139769 /nfs/dbraw/zinc/13/97/69/573139769.db2.gz DEEZSFJBVIBEDA-JTQLQIEISA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1ccc(-c2ocnc2CN)s1 82637265 573139912 /nfs/dbraw/zinc/13/99/12/573139912.db2.gz ONHNADDHRSXJFM-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CCC[C@@H](C)C[C@H](N)c1ccnn1C 162439624 573139950 /nfs/dbraw/zinc/13/99/50/573139950.db2.gz CHDSHCAYKGMWOG-ZJUUUORDSA-N 0 3 195.310 2.246 10 0 AEAEHN Cc1ccc(N(C)C2CC2)c(CN)c1 82636534 573140056 /nfs/dbraw/zinc/14/00/56/573140056.db2.gz VMPBLKQCTIAEKB-UHFFFAOYSA-N 0 3 190.290 2.052 10 0 AEAEHN CN[C@@H](c1cc(C)ccn1)C(C)C 82643742 573140127 /nfs/dbraw/zinc/14/01/27/573140127.db2.gz MVUGJDOQDXAJHH-LLVKDONJSA-N 0 3 178.279 2.307 10 0 AEAEHN Clc1sccc1[C@@H]1CCN1 104660643 573140315 /nfs/dbraw/zinc/14/03/15/573140315.db2.gz JIVUFEAOICPDKG-LURJTMIESA-N 0 3 173.668 2.436 10 0 AEAEHN CSc1ccc([C@@H](C)[NH3+])cc1[O-] 257955942 573140354 /nfs/dbraw/zinc/14/03/54/573140354.db2.gz BJHHFHJQINWQEJ-ZCFIWIBFSA-N 0 3 183.276 2.134 10 0 AEAEHN C[C@@H](N)c1cc2cc(N)ccc2o1 104659554 573140599 /nfs/dbraw/zinc/14/05/99/573140599.db2.gz NUILJNRNKOYBLN-ZCFIWIBFSA-N 0 3 176.219 2.035 10 0 AEAEHN CCc1c(CN)cnn1C1CCCC1 82637132 573140907 /nfs/dbraw/zinc/14/09/07/573140907.db2.gz DINILRUWIMPGMX-UHFFFAOYSA-N 0 3 193.294 2.019 10 0 AEAEHN CCc1c(F)ccc2c1[C@@H](N)CCO2 238299635 573141265 /nfs/dbraw/zinc/14/12/65/573141265.db2.gz DCZPLFRHLLRCOQ-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN Cc1ccccc1-c1ocnc1CN 82636081 573141366 /nfs/dbraw/zinc/14/13/66/573141366.db2.gz ISFGQGPYKREOFX-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CCc1c(F)ccc2c1OCC[C@@H]2N 238299717 573141374 /nfs/dbraw/zinc/14/13/74/573141374.db2.gz GBTIETWBCVISJV-JTQLQIEISA-N 0 3 195.237 2.170 10 0 AEAEHN CC[C@H](NC)c1cc(C)ccn1 82643720 573141378 /nfs/dbraw/zinc/14/13/78/573141378.db2.gz MEPKGDBQBFWMNF-VIFPVBQESA-N 0 3 164.252 2.061 10 0 AEAEHN Cc1cc2c(cc1Cl)OC[C@@H]2N 104663429 573141486 /nfs/dbraw/zinc/14/14/86/573141486.db2.gz YZZWFVNTTWWDGA-QMMMGPOBSA-N 0 3 183.638 2.041 10 0 AEAEHN Cc1ccc(-c2ocnc2CN)cc1 82636083 573141505 /nfs/dbraw/zinc/14/15/05/573141505.db2.gz FFEULLGKAOVDHO-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CC(C)Oc1c(F)cccc1CN 82635458 573141524 /nfs/dbraw/zinc/14/15/24/573141524.db2.gz QEKCKUPOOZDGKH-UHFFFAOYSA-N 0 3 183.226 2.072 10 0 AEAEHN Cc1ncc([C@H](N)CCC(C)C)n1C 308503456 573141613 /nfs/dbraw/zinc/14/16/13/573141613.db2.gz XSKRCTHIGHLCLE-SNVBAGLBSA-N 0 3 195.310 2.165 10 0 AEAEHN CC(=O)[C@@H]1CCCN(CC=C(C)C)C1 82644694 573141635 /nfs/dbraw/zinc/14/16/35/573141635.db2.gz GNNLKTFLQZKDBD-GFCCVEGCSA-N 0 3 195.306 2.254 10 0 AEAEHN Cc1ccnc([C@@H](N)C(C)(C)C)c1 82643711 573141868 /nfs/dbraw/zinc/14/18/68/573141868.db2.gz DEEZSFJBVIBEDA-SNVBAGLBSA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1cccc(CN)c1OCC1CC1 128915304 573141942 /nfs/dbraw/zinc/14/19/42/573141942.db2.gz LQPSSFOVZFWTAQ-UHFFFAOYSA-N 0 3 191.274 2.243 10 0 AEAEHN Cc1ccnc([C@H](N)C(C)C)c1 82643667 573142107 /nfs/dbraw/zinc/14/21/07/573142107.db2.gz FWLKCWGLJVQOTD-SNVBAGLBSA-N 0 3 164.252 2.046 10 0 AEAEHN CC[C@@H]1N[C@H](C)[C@@H](O)c2ccccc21 238289228 573142306 /nfs/dbraw/zinc/14/23/06/573142306.db2.gz UYJQABLHNLIOPO-JFUSQASVSA-N 0 3 191.274 2.163 10 0 AEAEHN CCc1c(F)ccc2c1OCC[C@H]2N 238299774 573142503 /nfs/dbraw/zinc/14/25/03/573142503.db2.gz GBTIETWBCVISJV-SNVBAGLBSA-N 0 3 195.237 2.170 10 0 AEAEHN Fc1cc([C@H]2CCCCN2)ccn1 104664887 573143055 /nfs/dbraw/zinc/14/30/55/573143055.db2.gz KMZIXUSSSWQMIH-SECBINFHSA-N 0 3 180.226 2.035 10 0 AEAEHN CC(=O)[C@@H]1CCCCN1C1CCCC1 82645143 573143528 /nfs/dbraw/zinc/14/35/28/573143528.db2.gz DHOARYOKCTYEGK-LBPRGKRZSA-N 0 3 195.306 2.373 10 0 AEAEHN C[C@@H]1C[C@H]1CN(C)[C@@H]1CCCCC1=O 82649127 573143556 /nfs/dbraw/zinc/14/35/56/573143556.db2.gz JFDJXEFGYOCALV-OUAUKWLOSA-N 0 3 195.306 2.086 10 0 AEAEHN CCc1c(C)ccc2[nH]c(N)nc12 238290967 573143684 /nfs/dbraw/zinc/14/36/84/573143684.db2.gz QENUYZXJWKTLEJ-UHFFFAOYSA-N 0 3 175.235 2.016 10 0 AEAEHN CCO[C@@H](C(C)C)[C@@H](N)c1ccc[nH]1 308503453 573143696 /nfs/dbraw/zinc/14/36/96/573143696.db2.gz XSJQOBGTNSLGNB-QWRGUYRKSA-N 0 3 196.294 2.076 10 0 AEAEHN CC[C@@H](N)c1ccc2ncccc2n1 238290789 573143917 /nfs/dbraw/zinc/14/39/17/573143917.db2.gz JLYBYUITUWTWPN-MRVPVSSYSA-N 0 3 187.246 2.040 10 0 AEAEHN CCO[C@H](C(C)C)[C@H](N)c1ccc[nH]1 308503450 573143986 /nfs/dbraw/zinc/14/39/86/573143986.db2.gz XSJQOBGTNSLGNB-GHMZBOCLSA-N 0 3 196.294 2.076 10 0 AEAEHN C/C(=C\c1ccc([O-])c(F)c1)[C@H](C)[NH3+] 235490405 573144030 /nfs/dbraw/zinc/14/40/30/573144030.db2.gz CAFPSIINJZCDKH-IVGLGHLBSA-N 0 3 195.237 2.282 10 0 AEAEHN CC(=O)[C@@H]1CCCCN1CC(C)C 82645030 573144082 /nfs/dbraw/zinc/14/40/82/573144082.db2.gz ZBBPHTCTWQMSGN-NSHDSACASA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@@H](N)c1ccc2cnccc2n1 238290757 573144141 /nfs/dbraw/zinc/14/41/41/573144141.db2.gz ICRNNMHPHZLOPW-SECBINFHSA-N 0 3 187.246 2.040 10 0 AEAEHN CCc1ccc2c(c1)CN[C@@H]2C 238290464 573144212 /nfs/dbraw/zinc/14/42/12/573144212.db2.gz IPXOFQUWHXFWSG-MRVPVSSYSA-N 0 3 161.248 2.413 10 0 AEAEHN CC(=O)[C@H]1CCCCN1C1CCCC1 82645144 573145224 /nfs/dbraw/zinc/14/52/24/573145224.db2.gz DHOARYOKCTYEGK-GFCCVEGCSA-N 0 3 195.306 2.373 10 0 AEAEHN CC(=O)C1CCN(CC=C(C)C)CC1 82644854 573144388 /nfs/dbraw/zinc/14/43/88/573144388.db2.gz ZNNUBRPHYRTPNH-UHFFFAOYSA-N 0 3 195.306 2.254 10 0 AEAEHN CCC(CC)N(C)Cc1ccno1 308503522 573144487 /nfs/dbraw/zinc/14/44/87/573144487.db2.gz YAXCULLKGSNUPN-UHFFFAOYSA-N 0 3 182.267 2.295 10 0 AEAEHN CN[C@@H](C)c1c[nH]c(CCC(C)C)n1 308507962 573145738 /nfs/dbraw/zinc/14/57/38/573145738.db2.gz ARARMTHYJGCIKZ-VIFPVBQESA-N 0 3 195.310 2.279 10 0 AEAEHN CC[C@@H](C)N1CCCC[C@@H]1C(C)=O 82645155 573145806 /nfs/dbraw/zinc/14/58/06/573145806.db2.gz GUJLQODJBHKWHQ-MWLCHTKSSA-N 0 3 183.295 2.228 10 0 AEAEHN C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCCCC1=O 82649125 573145937 /nfs/dbraw/zinc/14/59/37/573145937.db2.gz JFDJXEFGYOCALV-GMTAPVOTSA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@H](C)N1CCCC[C@@H]1C(C)=O 82645156 573146319 /nfs/dbraw/zinc/14/63/19/573146319.db2.gz GUJLQODJBHKWHQ-GXSJLCMTSA-N 0 3 183.295 2.228 10 0 AEAEHN CCO[C@@H](C(C)C)[C@H](N)c1ccc[nH]1 308503451 573146457 /nfs/dbraw/zinc/14/64/57/573146457.db2.gz XSJQOBGTNSLGNB-MNOVXSKESA-N 0 3 196.294 2.076 10 0 AEAEHN CCO[C@H](C(C)C)[C@@H](N)c1ccc[nH]1 308503454 573146479 /nfs/dbraw/zinc/14/64/79/573146479.db2.gz XSJQOBGTNSLGNB-WDEREUQCSA-N 0 3 196.294 2.076 10 0 AEAEHN Cc1ncc([C@@H](N)CCC(C)C)n1C 308503455 573147127 /nfs/dbraw/zinc/14/71/27/573147127.db2.gz XSKRCTHIGHLCLE-JTQLQIEISA-N 0 3 195.310 2.165 10 0 AEAEHN Cc1cnc(Cl)c([C@H](C)N)c1 104665016 573147143 /nfs/dbraw/zinc/14/71/43/573147143.db2.gz AMEASYMOHKSCPC-LURJTMIESA-N 0 3 170.643 2.063 10 0 AEAEHN CCC[C@@H](N)c1ccc2[nH]ccc2n1 89220960 573147246 /nfs/dbraw/zinc/14/72/46/573147246.db2.gz GILMAMHEHCPWAQ-MRVPVSSYSA-N 0 3 189.262 2.363 10 0 AEAEHN CC(C)[C@H](N)c1nccc2[nH]ccc12 89220552 573147370 /nfs/dbraw/zinc/14/73/70/573147370.db2.gz ISYADXGFBDLDMZ-JTQLQIEISA-N 0 3 189.262 2.219 10 0 AEAEHN CCc1ccc2c(c1)CN[C@H]2C 238290804 573147712 /nfs/dbraw/zinc/14/77/12/573147712.db2.gz IPXOFQUWHXFWSG-QMMMGPOBSA-N 0 3 161.248 2.413 10 0 AEAEHN Cc1cnc(Cl)c([C@@H](C)N)c1 104665011 573147832 /nfs/dbraw/zinc/14/78/32/573147832.db2.gz AMEASYMOHKSCPC-ZCFIWIBFSA-N 0 3 170.643 2.063 10 0 AEAEHN FCCN[C@@H]1CC[C@H]1c1ccccc1 308504884 573147892 /nfs/dbraw/zinc/14/78/92/573147892.db2.gz DJILYSWZCWTUIF-NWDGAFQWSA-N 0 3 193.265 2.492 10 0 AEAEHN CC(=O)[C@H]1CCCCN1CC(C)C 82645029 573148505 /nfs/dbraw/zinc/14/85/05/573148505.db2.gz ZBBPHTCTWQMSGN-LLVKDONJSA-N 0 3 183.295 2.086 10 0 AEAEHN FCCN[C@H]1CC[C@@H]1c1ccccc1 308504882 573148414 /nfs/dbraw/zinc/14/84/14/573148414.db2.gz DJILYSWZCWTUIF-NEPJUHHUSA-N 0 3 193.265 2.492 10 0 AEAEHN CCC[C@H](N)c1ccc2[nH]ccc2n1 89220959 573148549 /nfs/dbraw/zinc/14/85/49/573148549.db2.gz GILMAMHEHCPWAQ-QMMMGPOBSA-N 0 3 189.262 2.363 10 0 AEAEHN FCCN[C@H]1CC[C@H]1c1ccccc1 308504885 573148595 /nfs/dbraw/zinc/14/85/95/573148595.db2.gz DJILYSWZCWTUIF-RYUDHWBXSA-N 0 3 193.265 2.492 10 0 AEAEHN Cc1cnc(Cl)c([C@@H]2CCN2)c1 104666211 573148702 /nfs/dbraw/zinc/14/87/02/573148702.db2.gz GBGOFOGITQNOMU-QMMMGPOBSA-N 0 3 182.654 2.078 10 0 AEAEHN CC(C)[C@H](N)c1ncccc1Cl 104667694 573149151 /nfs/dbraw/zinc/14/91/51/573149151.db2.gz ZRHJJXXXQYJMAI-QMMMGPOBSA-N 0 3 184.670 2.391 10 0 AEAEHN FCCN[C@@H]1CC[C@@H]1c1ccccc1 308504886 573149261 /nfs/dbraw/zinc/14/92/61/573149261.db2.gz DJILYSWZCWTUIF-VXGBXAGGSA-N 0 3 193.265 2.492 10 0 AEAEHN CC[C@H](N)c1ncccc1Cl 104667686 573149316 /nfs/dbraw/zinc/14/93/16/573149316.db2.gz OQBOFNYWYYHMMZ-ZETCQYMHSA-N 0 3 170.643 2.145 10 0 AEAEHN CCC[C@@H](N)c1nccc2[nH]ccc12 89220565 573149600 /nfs/dbraw/zinc/14/96/00/573149600.db2.gz VXTSATDLSSBMKL-SECBINFHSA-N 0 3 189.262 2.363 10 0 AEAEHN CCN[C@@](C)(COC)c1ccccc1 308504701 573149609 /nfs/dbraw/zinc/14/96/09/573149609.db2.gz IEHPBBWPOPCVMY-LBPRGKRZSA-N 0 3 193.290 2.158 10 0 AEAEHN CCC[C@H](N)c1ccc(F)c(C)n1 104666148 573149731 /nfs/dbraw/zinc/14/97/31/573149731.db2.gz RZDRDFXXQVKYIP-VIFPVBQESA-N 0 3 182.242 2.329 10 0 AEAEHN CC(=O)CC[C@H](N)c1cccc(F)c1 259348263 573150123 /nfs/dbraw/zinc/15/01/23/573150123.db2.gz JRNNTBPNMMOYTH-NSHDSACASA-N 0 3 195.237 2.195 10 0 AEAEHN CC(C)[C@@H](N)c1nccc2[nH]ccc12 89220555 573150360 /nfs/dbraw/zinc/15/03/60/573150360.db2.gz ISYADXGFBDLDMZ-SNVBAGLBSA-N 0 3 189.262 2.219 10 0 AEAEHN CC(C)Cc1ccc(CN)c(F)c1 82667934 573151798 /nfs/dbraw/zinc/15/17/98/573151798.db2.gz KJADAXYRRBHTKY-UHFFFAOYSA-N 0 3 181.254 2.483 10 0 AEAEHN CC(C)(C)Cc1ncc(CN)s1 82674736 573151851 /nfs/dbraw/zinc/15/18/51/573151851.db2.gz QCHMCKXVCRCPIJ-UHFFFAOYSA-N 0 3 184.308 2.190 10 0 AEAEHN Cc1cnc(Cl)c([C@H]2CCN2)c1 104666216 573152184 /nfs/dbraw/zinc/15/21/84/573152184.db2.gz GBGOFOGITQNOMU-MRVPVSSYSA-N 0 3 182.654 2.078 10 0 AEAEHN N[C@H](CC1CC1)c1cccc(F)n1 104666300 573152382 /nfs/dbraw/zinc/15/23/82/573152382.db2.gz LDXRCVWKKKEHJX-MRVPVSSYSA-N 0 3 180.226 2.021 10 0 AEAEHN CC(C)Cc1ccc(F)c(CN)c1 82667886 573152763 /nfs/dbraw/zinc/15/27/63/573152763.db2.gz HIWBDMDQFBBMHZ-UHFFFAOYSA-N 0 3 181.254 2.483 10 0 AEAEHN CC[C@H](N)c1cc(Cl)ccn1 104668694 573153005 /nfs/dbraw/zinc/15/30/05/573153005.db2.gz WNUVVJWSJPZYQA-ZETCQYMHSA-N 0 3 170.643 2.145 10 0 AEAEHN CC(C)(C)Cc1nc(CN)cs1 82674775 573153664 /nfs/dbraw/zinc/15/36/64/573153664.db2.gz MPOMTKIHNQDKGR-UHFFFAOYSA-N 0 3 184.308 2.190 10 0 AEAEHN CN1CCC[C@H]1c1ccc(N)c(F)c1 238292186 573154008 /nfs/dbraw/zinc/15/40/08/573154008.db2.gz LQLQUOSCDKTGRW-NSHDSACASA-N 0 3 194.253 2.175 10 0 AEAEHN N[C@@H](CC1CC1)c1cccc(F)n1 104666304 573154159 /nfs/dbraw/zinc/15/41/59/573154159.db2.gz LDXRCVWKKKEHJX-QMMMGPOBSA-N 0 3 180.226 2.021 10 0 AEAEHN Cc1nc([C@@H](N)C(C)C)ccc1F 104666144 573154179 /nfs/dbraw/zinc/15/41/79/573154179.db2.gz BDZJSHNDJFMGNE-JTQLQIEISA-N 0 3 182.242 2.185 10 0 AEAEHN Fc1cccc([C@H]2CCCCN2)n1 104667449 573154360 /nfs/dbraw/zinc/15/43/60/573154360.db2.gz FSDCORYMKPHRIH-MRVPVSSYSA-N 0 3 180.226 2.035 10 0 AEAEHN Fc1ccc([C@H]2CCCCN2)cn1 104667217 573154716 /nfs/dbraw/zinc/15/47/16/573154716.db2.gz QWLQAXDZGYEGHM-SECBINFHSA-N 0 3 180.226 2.035 10 0 AEAEHN CC[C@@H]1C[C@@H]1N[C@@H](C)c1c[nH]nc1C 308506761 573154748 /nfs/dbraw/zinc/15/47/48/573154748.db2.gz JBBWNSNCUFVHEE-NMLBEHRDSA-N 0 3 193.294 2.167 10 0 AEAEHN CC(=O)CC[C@@H](N)c1cccc(F)c1 259348259 573154924 /nfs/dbraw/zinc/15/49/24/573154924.db2.gz JRNNTBPNMMOYTH-LLVKDONJSA-N 0 3 195.237 2.195 10 0 AEAEHN CC(C)[C@@H](N)c1ncccc1Cl 104667701 573154942 /nfs/dbraw/zinc/15/49/42/573154942.db2.gz ZRHJJXXXQYJMAI-MRVPVSSYSA-N 0 3 184.670 2.391 10 0 AEAEHN CC(C)c1ccc(F)c(CN)c1 82667890 573155474 /nfs/dbraw/zinc/15/54/74/573155474.db2.gz XRROHSULLQEICX-UHFFFAOYSA-N 0 3 167.227 2.408 10 0 AEAEHN CC(C)c1ccc(CN)c(F)c1 82667981 573155690 /nfs/dbraw/zinc/15/56/90/573155690.db2.gz WFQCBZZBNVWNMP-UHFFFAOYSA-N 0 3 167.227 2.408 10 0 AEAEHN CCc1ccc2c(c1)OCC[C@H]2N 104670441 573155890 /nfs/dbraw/zinc/15/58/90/573155890.db2.gz OQIMJMGOWPSJSL-SNVBAGLBSA-N 0 3 177.247 2.031 10 0 AEAEHN CCc1ccc2ncc(N)n2c1CC 238293916 573155941 /nfs/dbraw/zinc/15/59/41/573155941.db2.gz VPIIBVAFIRAWPH-UHFFFAOYSA-N 0 3 189.262 2.041 10 0 AEAEHN CN[C@@H](C)c1cnc(C(C)C)o1 257957273 573156151 /nfs/dbraw/zinc/15/61/51/573156151.db2.gz GDNBRSZHRUPGIP-ZETCQYMHSA-N 0 3 168.240 2.078 10 0 AEAEHN CCc1ccc(F)c(C2(N)CC2)c1 257954133 573156338 /nfs/dbraw/zinc/15/63/38/573156338.db2.gz GDVZWJXWISWPAB-UHFFFAOYSA-N 0 3 179.238 2.336 10 0 AEAEHN CC[C@@H]1SCCS[C@@]1(N)CC 238293067 573156527 /nfs/dbraw/zinc/15/65/27/573156527.db2.gz IRGFBHBHRHGBCS-YUMQZZPRSA-N 0 3 191.365 2.310 10 0 AEAEHN CC(C)CCCNCc1cnns1 308282690 573157444 /nfs/dbraw/zinc/15/74/44/573157444.db2.gz YNZGDRARXCSWOV-UHFFFAOYSA-N 0 3 199.323 2.064 10 0 AEAEHN CN(C)CC1=Cc2ccccc2NC1 238294139 573157476 /nfs/dbraw/zinc/15/74/76/573157476.db2.gz ZYOSDIBWORMKSF-UHFFFAOYSA-N 0 3 188.274 2.057 10 0 AEAEHN C=Cc1ccc2c(c1)[C@@H](N)CCO2 104671329 573157646 /nfs/dbraw/zinc/15/76/46/573157646.db2.gz MADWFYMWIWSISR-JTQLQIEISA-N 0 3 175.231 2.112 10 0 AEAEHN CC[C@@H]1C[C@H]1N[C@@H](C)c1c[nH]nc1C 308506758 573157740 /nfs/dbraw/zinc/15/77/40/573157740.db2.gz JBBWNSNCUFVHEE-JVUFJMBOSA-N 0 3 193.294 2.167 10 0 AEAEHN CC[C@@H]1C[C@@H]1N[C@H](C)c1c[nH]nc1C 308506765 573157808 /nfs/dbraw/zinc/15/78/08/573157808.db2.gz JBBWNSNCUFVHEE-ZOFUNIGCSA-N 0 3 193.294 2.167 10 0 AEAEHN CC[C@H](N)c1ccc(Cl)cn1 82707483 573158555 /nfs/dbraw/zinc/15/85/55/573158555.db2.gz DGBCIQZFSPBPMS-ZETCQYMHSA-N 0 3 170.643 2.145 10 0 AEAEHN C=Cc1cccc2c1OCC[C@H]2N 104671339 573158176 /nfs/dbraw/zinc/15/81/76/573158176.db2.gz LTUIKXSBSHHXNP-SNVBAGLBSA-N 0 3 175.231 2.112 10 0 AEAEHN CC[C@@H]1SCCS[C@]1(N)CC 238293083 573158346 /nfs/dbraw/zinc/15/83/46/573158346.db2.gz IRGFBHBHRHGBCS-JGVFFNPUSA-N 0 3 191.365 2.310 10 0 AEAEHN CCNCc1nc(C)c(CC(C)C)[nH]1 258554595 573158599 /nfs/dbraw/zinc/15/85/99/573158599.db2.gz LCNPGFWIPBGGIU-UHFFFAOYSA-N 0 3 195.310 2.026 10 0 AEAEHN CCNCc1nc(CC(C)C)c(C)[nH]1 258554595 573158605 /nfs/dbraw/zinc/15/86/05/573158605.db2.gz LCNPGFWIPBGGIU-UHFFFAOYSA-N 0 3 195.310 2.026 10 0 AEAEHN CC(C)[C@H](N)c1ccc(Cl)cn1 82707485 573158766 /nfs/dbraw/zinc/15/87/66/573158766.db2.gz FXHCPKDVLYJFKB-VIFPVBQESA-N 0 3 184.670 2.391 10 0 AEAEHN CC[C@@H](C)c1ccc([C@@H](N)O)cc1 259350417 573158996 /nfs/dbraw/zinc/15/89/96/573158996.db2.gz JTSDOJSRGMFEBF-KCJUWKMLSA-N 0 3 179.263 2.150 10 0 AEAEHN Cc1ccc([C@@H]2CCN2)c(Cl)n1 104671522 573159253 /nfs/dbraw/zinc/15/92/53/573159253.db2.gz YJRVMDNRBNHAGP-QMMMGPOBSA-N 0 3 182.654 2.078 10 0 AEAEHN N[C@H](c1cc(Cl)ccn1)C1CC1 104669442 573159380 /nfs/dbraw/zinc/15/93/80/573159380.db2.gz OOSUCJAULCTCAS-VIFPVBQESA-N 0 3 182.654 2.145 10 0 AEAEHN CCc1ccc2ncc(N)n2c1Cl 238293931 573159515 /nfs/dbraw/zinc/15/95/15/573159515.db2.gz AHCJWTUITDSUCZ-UHFFFAOYSA-N 0 3 195.653 2.132 10 0 AEAEHN Cc1ccc([C@H]2CCN2)c(Cl)n1 104671527 573159840 /nfs/dbraw/zinc/15/98/40/573159840.db2.gz YJRVMDNRBNHAGP-MRVPVSSYSA-N 0 3 182.654 2.078 10 0 AEAEHN N[C@H](c1cccc(Cl)n1)C1CC1 104669427 573160297 /nfs/dbraw/zinc/16/02/97/573160297.db2.gz ZEEMQZKYBGMBDJ-VIFPVBQESA-N 0 3 182.654 2.145 10 0 AEAEHN CC[C@@H](N)c1c(F)cccc1OC 82707516 573160394 /nfs/dbraw/zinc/16/03/94/573160394.db2.gz CETGHCMXDXPEJD-MRVPVSSYSA-N 0 3 183.226 2.244 10 0 AEAEHN C[C@@H]1CO[C@@](C)(Cc2cccs2)N1 258561678 573160626 /nfs/dbraw/zinc/16/06/26/573160626.db2.gz OXLBGXWRAOXMQC-SCZZXKLOSA-N 0 3 197.303 2.015 10 0 AEAEHN CC(C)=CCCNCc1c[nH]c(C)n1 308511010 573160674 /nfs/dbraw/zinc/16/06/74/573160674.db2.gz KXYNMGUUAVLOTP-UHFFFAOYSA-N 0 3 193.294 2.164 10 0 AEAEHN C[C@H]1CO[C@@](C)(Cc2cccs2)N1 258561684 573161086 /nfs/dbraw/zinc/16/10/86/573161086.db2.gz OXLBGXWRAOXMQC-WPRPVWTQSA-N 0 3 197.303 2.015 10 0 AEAEHN CC[C@@H](N)c1ccc(Cl)cn1 82707484 573161126 /nfs/dbraw/zinc/16/11/26/573161126.db2.gz DGBCIQZFSPBPMS-SSDOTTSWSA-N 0 3 170.643 2.145 10 0 AEAEHN CC[C@H](N)c1c(F)cccc1OC 82707515 573161181 /nfs/dbraw/zinc/16/11/81/573161181.db2.gz CETGHCMXDXPEJD-QMMMGPOBSA-N 0 3 183.226 2.244 10 0 AEAEHN C[C@H](N)c1sccc1Cl 82707471 573161935 /nfs/dbraw/zinc/16/19/35/573161935.db2.gz XOESVDQIPAYBHC-BYPYZUCNSA-N 0 3 161.657 2.421 10 0 AEAEHN CC(C)[C@@H](N)c1ccc(Cl)cn1 82707486 573162080 /nfs/dbraw/zinc/16/20/80/573162080.db2.gz FXHCPKDVLYJFKB-SECBINFHSA-N 0 3 184.670 2.391 10 0 AEAEHN COc1ccsc1CNC1CCC1 308284821 573162221 /nfs/dbraw/zinc/16/22/21/573162221.db2.gz BHNQVUXONSUNJC-UHFFFAOYSA-N 0 3 197.303 2.399 10 0 AEAEHN CC[C@@H](C)c1ccc([C@H](N)O)cc1 259350423 573162407 /nfs/dbraw/zinc/16/24/07/573162407.db2.gz JTSDOJSRGMFEBF-LDYMZIIASA-N 0 3 179.263 2.150 10 0 AEAEHN CC[C@H](C)c1ccc([C@@H](N)O)cc1 259350419 573162572 /nfs/dbraw/zinc/16/25/72/573162572.db2.gz JTSDOJSRGMFEBF-KWQFWETISA-N 0 3 179.263 2.150 10 0 AEAEHN CCC[C@@H](N)c1ccc[nH]c1=S 104673208 573163347 /nfs/dbraw/zinc/16/33/47/573163347.db2.gz PYGJSOBWAAPUDN-MRVPVSSYSA-N 0 3 182.292 2.170 10 0 AEAEHN CC(C)[C@H](N)c1ccc[nH]c1=S 104673195 573163414 /nfs/dbraw/zinc/16/34/14/573163414.db2.gz BYKAYZVWLCIEIC-QMMMGPOBSA-N 0 3 182.292 2.026 10 0 AEAEHN CN(C)Cc1cc2c(F)cccc2[nH]1 257958948 573163530 /nfs/dbraw/zinc/16/35/30/573163530.db2.gz HRAMDWVFWGAMIU-UHFFFAOYSA-N 0 3 192.237 2.369 10 0 AEAEHN CC[C@H](C)c1ccc([C@H](N)O)cc1 259350413 573163846 /nfs/dbraw/zinc/16/38/46/573163846.db2.gz JTSDOJSRGMFEBF-GZMMTYOYSA-N 0 3 179.263 2.150 10 0 AEAEHN C[C@@H]1CO[C@](C)(Cc2cccs2)N1 258561676 573164171 /nfs/dbraw/zinc/16/41/71/573164171.db2.gz OXLBGXWRAOXMQC-PSASIEDQSA-N 0 3 197.303 2.015 10 0 AEAEHN CSCCCN(C)c1ccncc1 308289673 573164203 /nfs/dbraw/zinc/16/42/03/573164203.db2.gz DBDBKRTYRWLHPY-UHFFFAOYSA-N 0 3 196.319 2.271 10 0 AEAEHN C[C@H]1CO[C@](C)(Cc2cccs2)N1 258561681 573164370 /nfs/dbraw/zinc/16/43/70/573164370.db2.gz OXLBGXWRAOXMQC-WCBMZHEXSA-N 0 3 197.303 2.015 10 0 AEAEHN CC[C@H](N)c1cnccc1Cl 104674058 573164662 /nfs/dbraw/zinc/16/46/62/573164662.db2.gz MIRDHJNSUOAGFU-QMMMGPOBSA-N 0 3 170.643 2.145 10 0 AEAEHN CC(C)[C@@H](N)c1ccc[nH]c1=S 104673200 573164697 /nfs/dbraw/zinc/16/46/97/573164697.db2.gz BYKAYZVWLCIEIC-MRVPVSSYSA-N 0 3 182.292 2.026 10 0 AEAEHN Clc1sccc1[C@H]1CCN1 104673272 573165464 /nfs/dbraw/zinc/16/54/64/573165464.db2.gz JIVUFEAOICPDKG-ZCFIWIBFSA-N 0 3 173.668 2.436 10 0 AEAEHN Cc1cc(-c2cnccc2N)cc(C)n1 308786157 573165471 /nfs/dbraw/zinc/16/54/71/573165471.db2.gz GCWPSJJPGKENGS-UHFFFAOYSA-N 0 3 199.257 2.343 10 0 AEAEHN NCc1cnccc1[C@H]1CCCS1 258236582 573165697 /nfs/dbraw/zinc/16/56/97/573165697.db2.gz ZWUDYNAKKFNPIZ-SNVBAGLBSA-N 0 3 194.303 2.108 10 0 AEAEHN C[C@H](N)c1c[nH]c(CCC(C)(C)C)n1 308511543 573165731 /nfs/dbraw/zinc/16/57/31/573165731.db2.gz CJIADBSCMXHLDF-QMMMGPOBSA-N 0 3 195.310 2.408 10 0 AEAEHN C[C@@H](N)c1c[nH]c(CCC(C)(C)C)n1 308511541 573165932 /nfs/dbraw/zinc/16/59/32/573165932.db2.gz CJIADBSCMXHLDF-MRVPVSSYSA-N 0 3 195.310 2.408 10 0 AEAEHN CCN[C@H](C)c1c[nH]c(C2CCC2)n1 308511989 573166098 /nfs/dbraw/zinc/16/60/98/573166098.db2.gz CMPHBJUJHRDSQG-MRVPVSSYSA-N 0 3 193.294 2.348 10 0 AEAEHN CCN[C@@H](C)c1c[nH]c(C2CCC2)n1 308511990 573167159 /nfs/dbraw/zinc/16/71/59/573167159.db2.gz CMPHBJUJHRDSQG-QMMMGPOBSA-N 0 3 193.294 2.348 10 0 AEAEHN Fc1cnccc1[C@H]1CCCCN1 104674869 573167762 /nfs/dbraw/zinc/16/77/62/573167762.db2.gz CBYQPMIRNKSDFA-SNVBAGLBSA-N 0 3 180.226 2.035 10 0 AEAEHN CCC[C@H](N)c1ccc[nH]c1=S 104673205 573167961 /nfs/dbraw/zinc/16/79/61/573167961.db2.gz PYGJSOBWAAPUDN-QMMMGPOBSA-N 0 3 182.292 2.170 10 0 AEAEHN Cc1ccc(C)n1Nc1ccncc1 85832357 573168439 /nfs/dbraw/zinc/16/84/39/573168439.db2.gz REAXHZMYNDHUPJ-UHFFFAOYSA-N 0 3 187.246 2.375 10 0 AEAEHN CO[C@H](N)c1cccc2ccccc12 259352451 573168491 /nfs/dbraw/zinc/16/84/91/573168491.db2.gz JVHBHNCTVMGDMH-LBPRGKRZSA-N 0 3 187.242 2.444 10 0 AEAEHN Cc1cnccc1Nn1cccc1 85832055 573168537 /nfs/dbraw/zinc/16/85/37/573168537.db2.gz ODBMIGZMZDJQSP-UHFFFAOYSA-N 0 3 173.219 2.067 10 0 AEAEHN FCCNCc1c[nH]c2ccccc12 308508227 573169837 /nfs/dbraw/zinc/16/98/37/573169837.db2.gz AUZIURCKXFAGKG-UHFFFAOYSA-N 0 3 192.237 2.227 10 0 AEAEHN NC1(c2cc3ccccc3cn2)CC1 104676731 573170118 /nfs/dbraw/zinc/17/01/18/573170118.db2.gz ZBPSUTHRTNDGPI-UHFFFAOYSA-N 0 3 184.242 2.183 10 0 AEAEHN Cc1cc([C@H]2CCCCN2)cnc1F 104676583 573170182 /nfs/dbraw/zinc/17/01/82/573170182.db2.gz QFDGXEBUWKVDMT-SNVBAGLBSA-N 0 3 194.253 2.344 10 0 AEAEHN COC[C@H](N)c1sccc1Cl 104677901 573170341 /nfs/dbraw/zinc/17/03/41/573170341.db2.gz IZILXIVETDJWGL-LURJTMIESA-N 0 3 191.683 2.048 10 0 AEAEHN CN[C@H](O)c1ccc(C(C)(C)C)cc1 259349732 573170520 /nfs/dbraw/zinc/17/05/20/573170520.db2.gz KQNLDRBXXQHLSE-LLVKDONJSA-N 0 3 193.290 2.194 10 0 AEAEHN CCc1cccc([C@@H](N)CF)c1 238303577 573170610 /nfs/dbraw/zinc/17/06/10/573170610.db2.gz MKLVQWRSKCJIBD-JTQLQIEISA-N 0 3 167.227 2.218 10 0 AEAEHN CC[C@H](N)c1ccc(N2CCCC2)o1 104678298 573170721 /nfs/dbraw/zinc/17/07/21/573170721.db2.gz NVKWRQGNDJYCTF-VIFPVBQESA-N 0 3 194.278 2.290 10 0 AEAEHN CN[C@@H](O)c1ccc(C(C)(C)C)cc1 259349738 573171390 /nfs/dbraw/zinc/17/13/90/573171390.db2.gz KQNLDRBXXQHLSE-NSHDSACASA-N 0 3 193.290 2.194 10 0 AEAEHN COC[C@@H](N)c1ccsc1Cl 104677897 573171539 /nfs/dbraw/zinc/17/15/39/573171539.db2.gz KMCUJIKOFNQVBY-ZCFIWIBFSA-N 0 3 191.683 2.048 10 0 AEAEHN Cc1ccc(CCCC[NH3+])c([O-])c1F 257958132 573171561 /nfs/dbraw/zinc/17/15/61/573171561.db2.gz BMDKWSNTVZBURD-UHFFFAOYSA-N 0 3 197.253 2.121 10 0 AEAEHN Cc1cc(F)ncc1[C@H]1CCCCN1 104676575 573171957 /nfs/dbraw/zinc/17/19/57/573171957.db2.gz FGZQDPWFLDEROE-SNVBAGLBSA-N 0 3 194.253 2.344 10 0 AEAEHN CCc1c(C)ccc2c1[C@H](N)CCO2 238298658 573172058 /nfs/dbraw/zinc/17/20/58/573172058.db2.gz DPRBUMFCRHEBOR-SNVBAGLBSA-N 0 3 191.274 2.340 10 0 AEAEHN CCc1c(C)ccc2c1[C@@H](N)CCO2 238298668 573172136 /nfs/dbraw/zinc/17/21/36/573172136.db2.gz DPRBUMFCRHEBOR-JTQLQIEISA-N 0 3 191.274 2.340 10 0 AEAEHN Cc1nc(F)ccc1[C@H]1CCCCN1 104677564 573172220 /nfs/dbraw/zinc/17/22/20/573172220.db2.gz ZBBHQHWHRMRXNR-SNVBAGLBSA-N 0 3 194.253 2.344 10 0 AEAEHN Nc1c(F)cccc1[C@@H]1CCCCN1 104678286 573172267 /nfs/dbraw/zinc/17/22/67/573172267.db2.gz ZKQKZBKNXXBYDL-JTQLQIEISA-N 0 3 194.253 2.223 10 0 AEAEHN COC[C@H](N)c1ccsc1Cl 104677894 573172277 /nfs/dbraw/zinc/17/22/77/573172277.db2.gz KMCUJIKOFNQVBY-LURJTMIESA-N 0 3 191.683 2.048 10 0 AEAEHN Cc1cc([O-])c(/C=C/C[NH3+])cc1Cl 257958220 573172648 /nfs/dbraw/zinc/17/26/48/573172648.db2.gz BPNSDPXNTPJPEX-NSCUHMNNSA-N 0 3 197.665 2.326 10 0 AEAEHN CNc1nc(C)c(C2CCCC2)[nH]1 258568366 573173230 /nfs/dbraw/zinc/17/32/30/573173230.db2.gz MXITZBCYFAHJKH-UHFFFAOYSA-N 0 3 179.267 2.417 10 0 AEAEHN CNc1nc(C2CCCC2)c(C)[nH]1 258568366 573173235 /nfs/dbraw/zinc/17/32/35/573173235.db2.gz MXITZBCYFAHJKH-UHFFFAOYSA-N 0 3 179.267 2.417 10 0 AEAEHN COc1cc(F)c(C)cc1C1(N)CC1 257958241 573173295 /nfs/dbraw/zinc/17/32/95/573173295.db2.gz BQGPCLBJWHMYKJ-UHFFFAOYSA-N 0 3 195.237 2.091 10 0 AEAEHN CCc1cccc([C@H](N)CF)c1 238304183 573173353 /nfs/dbraw/zinc/17/33/53/573173353.db2.gz MKLVQWRSKCJIBD-SNVBAGLBSA-N 0 3 167.227 2.218 10 0 AEAEHN CCc1cccc2c1[C@@H](N)CCC2=O 238304496 573174072 /nfs/dbraw/zinc/17/40/72/573174072.db2.gz QZOWQCCEPXQIDG-JTQLQIEISA-N 0 3 189.258 2.225 10 0 AEAEHN Nc1ccc(F)c([C@@H]2CCCCN2)c1 104678281 573174235 /nfs/dbraw/zinc/17/42/35/573174235.db2.gz XMXAIOGEHDFYAN-NSHDSACASA-N 0 3 194.253 2.223 10 0 AEAEHN Cc1nc([C@H]2CCCCN2)ccc1F 104675765 573174512 /nfs/dbraw/zinc/17/45/12/573174512.db2.gz LPFPFOCWMRRPFV-SNVBAGLBSA-N 0 3 194.253 2.344 10 0 AEAEHN Cc1nc([C@H](N)CC2CC2)ccc1F 104675758 573174579 /nfs/dbraw/zinc/17/45/79/573174579.db2.gz GVRDVYPMVGQYTB-SNVBAGLBSA-N 0 3 194.253 2.329 10 0 AEAEHN Cc1nc([C@@H](N)CC2CC2)ccc1F 104675761 573174709 /nfs/dbraw/zinc/17/47/09/573174709.db2.gz GVRDVYPMVGQYTB-JTQLQIEISA-N 0 3 194.253 2.329 10 0 AEAEHN Nc1cccc(F)c1[C@@H]1CCCCN1 104677570 573174924 /nfs/dbraw/zinc/17/49/24/573174924.db2.gz RCTHZQVRFLLMLU-JTQLQIEISA-N 0 3 194.253 2.223 10 0 AEAEHN CC[C@H]1Oc2c(ccc(C)c2C)[C@H]1N 82759837 573175224 /nfs/dbraw/zinc/17/52/24/573175224.db2.gz YXOKWNCUAYYDEH-GHMZBOCLSA-N 0 3 191.274 2.474 10 0 AEAEHN CNC(C)(C)SC(C)C 259354537 573175264 /nfs/dbraw/zinc/17/52/64/573175264.db2.gz ZCJZZQBAPSZEQH-UHFFFAOYSA-N 0 3 147.287 2.084 10 0 AEAEHN COC[C@@H](N)c1sccc1Cl 104677904 573175328 /nfs/dbraw/zinc/17/53/28/573175328.db2.gz IZILXIVETDJWGL-ZCFIWIBFSA-N 0 3 191.683 2.048 10 0 AEAEHN CC[C@@H]1Oc2ccc(C)cc2[C@H]1NC 82759652 573175352 /nfs/dbraw/zinc/17/53/52/573175352.db2.gz UMORTDUPUBCYFJ-CMPLNLGQSA-N 0 3 191.274 2.427 10 0 AEAEHN CC[C@H]1Oc2cc(C)c(C)cc2[C@@H]1N 82759827 573175437 /nfs/dbraw/zinc/17/54/37/573175437.db2.gz PLBKZJZOVKDPGX-PWSUYJOCSA-N 0 3 191.274 2.474 10 0 AEAEHN CC[C@H]1Oc2ccc(C)cc2[C@H]1NC 82759651 573177279 /nfs/dbraw/zinc/17/72/79/573177279.db2.gz UMORTDUPUBCYFJ-ZYHUDNBSSA-N 0 3 191.274 2.427 10 0 AEAEHN CCC(C)(C)[C@H](NC)c1cn(C)cn1 308510561 573177282 /nfs/dbraw/zinc/17/72/82/573177282.db2.gz BUBJYFYQVFVIQD-SNVBAGLBSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H]1Oc2ccc(F)cc2[C@H]1NC 82759732 573175729 /nfs/dbraw/zinc/17/57/29/573175729.db2.gz LHWCXVOCDIHTNC-GXSJLCMTSA-N 0 3 195.237 2.257 10 0 AEAEHN CC[C@H]1Oc2ccc(F)cc2[C@@H]1NC 82759733 573176111 /nfs/dbraw/zinc/17/61/11/573176111.db2.gz LHWCXVOCDIHTNC-KOLCDFICSA-N 0 3 195.237 2.257 10 0 AEAEHN CC[C@@H]1Oc2c(F)cccc2[C@@H]1NC 82759622 573176162 /nfs/dbraw/zinc/17/61/62/573176162.db2.gz OHBYCUVVKSOKGZ-UWVGGRQHSA-N 0 3 195.237 2.257 10 0 AEAEHN CCC(C)(C)NCc1cnc(C)cn1 308509987 573176231 /nfs/dbraw/zinc/17/62/31/573176231.db2.gz KMJXFSQNZVDKIE-UHFFFAOYSA-N 0 3 193.294 2.063 10 0 AEAEHN CC[C@@H]1Oc2cc(C)c(C)cc2[C@H]1N 82759826 573176257 /nfs/dbraw/zinc/17/62/57/573176257.db2.gz PLBKZJZOVKDPGX-CMPLNLGQSA-N 0 3 191.274 2.474 10 0 AEAEHN CC[C@@H]1Oc2c(C)cccc2[C@@H]1NC 82759670 573176304 /nfs/dbraw/zinc/17/63/04/573176304.db2.gz ICDWQOAPFUKXOQ-QWRGUYRKSA-N 0 3 191.274 2.427 10 0 AEAEHN CC[C@@H]1Oc2ccccc2[C@H]1NC 82759684 573176391 /nfs/dbraw/zinc/17/63/91/573176391.db2.gz QXYHFPNNLXTEAU-GXSJLCMTSA-N 0 3 177.247 2.118 10 0 AEAEHN CC(C)(N)c1cccc(C2CC2)n1 115263857 573176505 /nfs/dbraw/zinc/17/65/05/573176505.db2.gz RVZMFXOZBBXFFO-UHFFFAOYSA-N 0 3 176.263 2.153 10 0 AEAEHN Nc1cccc(F)c1[C@@H](N)CC1CC1 104681682 573177323 /nfs/dbraw/zinc/17/73/23/573177323.db2.gz PZDCOSHVMSFIJE-JTQLQIEISA-N 0 3 194.253 2.208 10 0 AEAEHN CCC(C)(C)[C@@H](NC)c1cn(C)cn1 308510559 573176563 /nfs/dbraw/zinc/17/65/63/573176563.db2.gz BUBJYFYQVFVIQD-JTQLQIEISA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H]1Oc2c(ccc(C)c2C)[C@H]1N 82759838 573176566 /nfs/dbraw/zinc/17/65/66/573176566.db2.gz YXOKWNCUAYYDEH-WDEREUQCSA-N 0 3 191.274 2.474 10 0 AEAEHN CC[C@H]1Oc2c(F)cccc2[C@@H]1NC 82759621 573176655 /nfs/dbraw/zinc/17/66/55/573176655.db2.gz OHBYCUVVKSOKGZ-ZJUUUORDSA-N 0 3 195.237 2.257 10 0 AEAEHN Cc1cc2c(s1)C(=O)CC[C@@H]2N 104679177 573176734 /nfs/dbraw/zinc/17/67/34/573176734.db2.gz UEAJGSQIWFPCRO-ZETCQYMHSA-N 0 3 181.260 2.033 10 0 AEAEHN CC[C@H]1Oc2cc(C)c(C)cc2[C@H]1N 82759825 573176826 /nfs/dbraw/zinc/17/68/26/573176826.db2.gz PLBKZJZOVKDPGX-ZYHUDNBSSA-N 0 3 191.274 2.474 10 0 AEAEHN C[C@H](N)c1coc(-c2cccs2)n1 257959495 573176866 /nfs/dbraw/zinc/17/68/66/573176866.db2.gz GIILBOKUKVSAJB-LURJTMIESA-N 0 3 194.259 2.423 10 0 AEAEHN CC[C@@H]1Oc2c(F)cccc2[C@H]1NC 82759620 573176841 /nfs/dbraw/zinc/17/68/41/573176841.db2.gz OHBYCUVVKSOKGZ-VHSXEESVSA-N 0 3 195.237 2.257 10 0 AEAEHN Nc1ccc(F)cc1[C@@H](N)CC1CC1 104680240 573176974 /nfs/dbraw/zinc/17/69/74/573176974.db2.gz YPLMWIZKGAXEBY-NSHDSACASA-N 0 3 194.253 2.208 10 0 AEAEHN Nc1cc(F)ccc1[C@H]1CCCCN1 104680983 573176994 /nfs/dbraw/zinc/17/69/94/573176994.db2.gz VJQLZMCBTWGSCX-LLVKDONJSA-N 0 3 194.253 2.223 10 0 AEAEHN CC[C@H]1Oc2ccc(C)cc2[C@H]1N 82759647 573177051 /nfs/dbraw/zinc/17/70/51/573177051.db2.gz PPVIJAHFCASLRW-MWLCHTKSSA-N 0 3 177.247 2.166 10 0 AEAEHN CC[C@@H]1Oc2ccc(F)cc2[C@@H]1NC 82759734 573177110 /nfs/dbraw/zinc/17/71/10/573177110.db2.gz LHWCXVOCDIHTNC-ONGXEEELSA-N 0 3 195.237 2.257 10 0 AEAEHN CCc1cccc2c1[C@H](N)CCC2=O 238304484 573177218 /nfs/dbraw/zinc/17/72/18/573177218.db2.gz QZOWQCCEPXQIDG-SNVBAGLBSA-N 0 3 189.258 2.225 10 0 AEAEHN Nc1ccc(F)cc1[C@H](N)CC1CC1 104680238 573177466 /nfs/dbraw/zinc/17/74/66/573177466.db2.gz YPLMWIZKGAXEBY-LLVKDONJSA-N 0 3 194.253 2.208 10 0 AEAEHN C[C@@H](N)c1coc(-c2cccs2)n1 257959497 573177594 /nfs/dbraw/zinc/17/75/94/573177594.db2.gz GIILBOKUKVSAJB-ZCFIWIBFSA-N 0 3 194.259 2.423 10 0 AEAEHN CC[C@H]1Oc2c(C)cccc2[C@@H]1NC 82759669 573177613 /nfs/dbraw/zinc/17/76/13/573177613.db2.gz ICDWQOAPFUKXOQ-MNOVXSKESA-N 0 3 191.274 2.427 10 0 AEAEHN CC[C@@H]1Oc2cc(C)c(C)cc2[C@@H]1N 82759828 573177779 /nfs/dbraw/zinc/17/77/79/573177779.db2.gz PLBKZJZOVKDPGX-JQWIXIFHSA-N 0 3 191.274 2.474 10 0 AEAEHN CCc1cccc2c1O[C@@H](CC)[C@H]2N 82760028 573177880 /nfs/dbraw/zinc/17/78/80/573177880.db2.gz LORKUJOTZQDJGV-QWRGUYRKSA-N 0 3 191.274 2.420 10 0 AEAEHN CC[C@@H]1Oc2c(ccc(C)c2C)[C@@H]1N 82759840 573177920 /nfs/dbraw/zinc/17/79/20/573177920.db2.gz YXOKWNCUAYYDEH-QWRGUYRKSA-N 0 3 191.274 2.474 10 0 AEAEHN CC[C@H]1Oc2ccccc2[C@H]1NC 82759683 573177930 /nfs/dbraw/zinc/17/79/30/573177930.db2.gz QXYHFPNNLXTEAU-MWLCHTKSSA-N 0 3 177.247 2.118 10 0 AEAEHN CC[C@H]1Oc2c(ccc(C)c2C)[C@@H]1N 82759839 573178029 /nfs/dbraw/zinc/17/80/29/573178029.db2.gz YXOKWNCUAYYDEH-MNOVXSKESA-N 0 3 191.274 2.474 10 0 AEAEHN CC[C@@H]1Oc2ccccc2[C@@H]1NC 82759686 573178148 /nfs/dbraw/zinc/17/81/48/573178148.db2.gz QXYHFPNNLXTEAU-ONGXEEELSA-N 0 3 177.247 2.118 10 0 AEAEHN CCC[C@@H](N)c1cc(O)ccc1F 104679892 573178204 /nfs/dbraw/zinc/17/82/04/573178204.db2.gz KQFZHRKQRVHAJK-SNVBAGLBSA-N 0 3 183.226 2.331 10 0 AEAEHN CC[C@@H]1Oc2ccc(C)cc2[C@H]1N 82759648 573178219 /nfs/dbraw/zinc/17/82/19/573178219.db2.gz PPVIJAHFCASLRW-GXSJLCMTSA-N 0 3 177.247 2.166 10 0 AEAEHN CC[C@H]1Oc2c(C)cccc2[C@H]1NC 82759667 573178323 /nfs/dbraw/zinc/17/83/23/573178323.db2.gz ICDWQOAPFUKXOQ-GHMZBOCLSA-N 0 3 191.274 2.427 10 0 AEAEHN CCc1cccc2c1O[C@H](CC)[C@@H]2N 82760025 573178378 /nfs/dbraw/zinc/17/83/78/573178378.db2.gz LORKUJOTZQDJGV-GHMZBOCLSA-N 0 3 191.274 2.420 10 0 AEAEHN CC[C@H]1Oc2ccc(F)cc2[C@H]1NC 82759731 573178406 /nfs/dbraw/zinc/17/84/06/573178406.db2.gz LHWCXVOCDIHTNC-MWLCHTKSSA-N 0 3 195.237 2.257 10 0 AEAEHN CC[C@@H]1Oc2ccc(C)cc2[C@@H]1N 82759650 573179480 /nfs/dbraw/zinc/17/94/80/573179480.db2.gz PPVIJAHFCASLRW-ONGXEEELSA-N 0 3 177.247 2.166 10 0 AEAEHN CCc1cccc2c1O[C@@H](CC)[C@@H]2N 82760026 573178492 /nfs/dbraw/zinc/17/84/92/573178492.db2.gz LORKUJOTZQDJGV-WDEREUQCSA-N 0 3 191.274 2.420 10 0 AEAEHN CC[C@@H]1Oc2c(C)cccc2[C@H]1NC 82759668 573178534 /nfs/dbraw/zinc/17/85/34/573178534.db2.gz ICDWQOAPFUKXOQ-WDEREUQCSA-N 0 3 191.274 2.427 10 0 AEAEHN CCC[C@H](N)c1cc(O)ccc1F 104679889 573178538 /nfs/dbraw/zinc/17/85/38/573178538.db2.gz KQFZHRKQRVHAJK-JTQLQIEISA-N 0 3 183.226 2.331 10 0 AEAEHN CC[C@H]1Oc2c(F)cccc2[C@H]1NC 82759619 573178582 /nfs/dbraw/zinc/17/85/82/573178582.db2.gz OHBYCUVVKSOKGZ-NXEZZACHSA-N 0 3 195.237 2.257 10 0 AEAEHN CCc1cccc2c1[C@H](C)NC2 238305196 573179076 /nfs/dbraw/zinc/17/90/76/573179076.db2.gz DFPJCDZWDHNBQA-QMMMGPOBSA-N 0 3 161.248 2.413 10 0 AEAEHN CC[C@H]1Oc2ccccc2[C@@H]1NC 82759685 573179081 /nfs/dbraw/zinc/17/90/81/573179081.db2.gz QXYHFPNNLXTEAU-KOLCDFICSA-N 0 3 177.247 2.118 10 0 AEAEHN CC[C@H]1Oc2ccc(C)cc2[C@@H]1N 82759649 573179143 /nfs/dbraw/zinc/17/91/43/573179143.db2.gz PPVIJAHFCASLRW-KOLCDFICSA-N 0 3 177.247 2.166 10 0 AEAEHN Nc1cc(F)ccc1[C@@H]1CCCCN1 104680979 573179158 /nfs/dbraw/zinc/17/91/58/573179158.db2.gz VJQLZMCBTWGSCX-NSHDSACASA-N 0 3 194.253 2.223 10 0 AEAEHN CC[C@H]1Oc2ccc(C)cc2[C@@H]1NC 82759653 573179326 /nfs/dbraw/zinc/17/93/26/573179326.db2.gz UMORTDUPUBCYFJ-PWSUYJOCSA-N 0 3 191.274 2.427 10 0 AEAEHN Nc1ccc(F)c([C@H]2CCCCN2)c1 104681697 573179574 /nfs/dbraw/zinc/17/95/74/573179574.db2.gz XMXAIOGEHDFYAN-LLVKDONJSA-N 0 3 194.253 2.223 10 0 AEAEHN CCc1cccc2c1O[C@H](CC)[C@H]2N 82760027 573179676 /nfs/dbraw/zinc/17/96/76/573179676.db2.gz LORKUJOTZQDJGV-MNOVXSKESA-N 0 3 191.274 2.420 10 0 AEAEHN Nc1cccc(F)c1[C@H]1CCCCN1 104681685 573179778 /nfs/dbraw/zinc/17/97/78/573179778.db2.gz RCTHZQVRFLLMLU-SNVBAGLBSA-N 0 3 194.253 2.223 10 0 AEAEHN N[C@@H](CC1CC1)c1ccc[nH]c1=S 104680283 573179809 /nfs/dbraw/zinc/17/98/09/573179809.db2.gz INQXXAITLTYXRZ-VIFPVBQESA-N 0 3 194.303 2.170 10 0 AEAEHN Nc1cccc(F)c1[C@H](N)CC1CC1 104681679 573179851 /nfs/dbraw/zinc/17/98/51/573179851.db2.gz PZDCOSHVMSFIJE-SNVBAGLBSA-N 0 3 194.253 2.208 10 0 AEAEHN CCc1cccc2c1C(=O)CC[C@@H]2N 238306523 573180105 /nfs/dbraw/zinc/18/01/05/573180105.db2.gz OBBZPSCWBCISBU-JTQLQIEISA-N 0 3 189.258 2.225 10 0 AEAEHN Cc1cc2c(s1)C(=O)CC[C@H]2N 104679181 573180424 /nfs/dbraw/zinc/18/04/24/573180424.db2.gz UEAJGSQIWFPCRO-SSDOTTSWSA-N 0 3 181.260 2.033 10 0 AEAEHN FC(F)[C@@H]1CC2(CCCC2)CN1 257962252 573180469 /nfs/dbraw/zinc/18/04/69/573180469.db2.gz XOHKDWPIYZJIQB-ZETCQYMHSA-N 0 3 175.222 2.174 10 0 AEAEHN N[C@H](CC1CC1)c1ccc[nH]c1=S 104680279 573180921 /nfs/dbraw/zinc/18/09/21/573180921.db2.gz INQXXAITLTYXRZ-SECBINFHSA-N 0 3 194.303 2.170 10 0 AEAEHN CCc1ccc(C2(N)CCCC2)nc1 259357587 573181591 /nfs/dbraw/zinc/18/15/91/573181591.db2.gz PVFHCUXTECJSHB-UHFFFAOYSA-N 0 3 190.290 2.372 10 0 AEAEHN C[C@@H](F)COc1cccc2c1CNC2 257960585 573181770 /nfs/dbraw/zinc/18/17/70/573181770.db2.gz JFGHRPJLROFPRX-MRVPVSSYSA-N 0 3 195.237 2.027 10 0 AEAEHN C[C@H](F)COc1cccc2c1CNC2 257960588 573182643 /nfs/dbraw/zinc/18/26/43/573182643.db2.gz JFGHRPJLROFPRX-QMMMGPOBSA-N 0 3 195.237 2.027 10 0 AEAEHN CN[C@@H](c1cccnc1OC)C(C)C 158479155 573182293 /nfs/dbraw/zinc/18/22/93/573182293.db2.gz BWFFFZTXDMBHAV-SNVBAGLBSA-N 0 3 194.278 2.007 10 0 AEAEHN Cc1cc([O-])c(F)c(C(C)(C)[NH3+])c1 257962570 573182768 /nfs/dbraw/zinc/18/27/68/573182768.db2.gz BXSIUWBFWKJBJR-UHFFFAOYSA-N 0 3 183.226 2.034 10 0 AEAEHN CSC[C@H](C)N(C)Cc1ccc[nH]1 308294853 573185364 /nfs/dbraw/zinc/18/53/64/573185364.db2.gz HNICOELFOJKNRD-VIFPVBQESA-N 0 3 198.335 2.198 10 0 AEAEHN CN[C@H](COC)c1ccc(C)cc1F 132018116 573185884 /nfs/dbraw/zinc/18/58/84/573185884.db2.gz XICZNSLICZUNJA-LLVKDONJSA-N 0 3 197.253 2.041 10 0 AEAEHN C[C@@H](N)c1cc2cccnc2cc1F 115369355 573185886 /nfs/dbraw/zinc/18/58/86/573185886.db2.gz MLEIELNBRQFSIF-SSDOTTSWSA-N 0 3 190.221 2.394 10 0 AEAEHN CSC[C@@H](C)N(C)Cc1ccc[nH]1 308294852 573185046 /nfs/dbraw/zinc/18/50/46/573185046.db2.gz HNICOELFOJKNRD-SECBINFHSA-N 0 3 198.335 2.198 10 0 AEAEHN CCc1cccc2c1CN[C@@H]2C 238306404 573185056 /nfs/dbraw/zinc/18/50/56/573185056.db2.gz BZLNRXNWEXLHPS-MRVPVSSYSA-N 0 3 161.248 2.413 10 0 AEAEHN CCc1cccc2c1[C@H](N)CCO2 238306090 573185493 /nfs/dbraw/zinc/18/54/93/573185493.db2.gz KDPJYAUYAOJABG-SECBINFHSA-N 0 3 177.247 2.031 10 0 AEAEHN CCO[C@@H]1c2ccccc2CN[C@@H]1C 238300570 573186517 /nfs/dbraw/zinc/18/65/17/573186517.db2.gz HHOUZRYNHRLTCM-SKDRFNHKSA-N 0 3 191.274 2.256 10 0 AEAEHN C/C=C/CCNCc1c(C)noc1C 123792237 573186219 /nfs/dbraw/zinc/18/62/19/573186219.db2.gz SEARAGIGCZOMCA-SNAWJCMRSA-N 0 3 194.278 2.347 10 0 AEAEHN Nc1c(F)cccc1[C@@H](N)CC1CC1 104682290 573187428 /nfs/dbraw/zinc/18/74/28/573187428.db2.gz IFKULMICWYFBNR-JTQLQIEISA-N 0 3 194.253 2.208 10 0 AEAEHN C[C@@H]1CNCc2cc(F)cc(F)c21 82784374 573187514 /nfs/dbraw/zinc/18/75/14/573187514.db2.gz UPDMTMHSZYURAM-ZCFIWIBFSA-N 0 3 183.201 2.172 10 0 AEAEHN CCc1c(C)sc2c1OCCNC2 238299944 573187524 /nfs/dbraw/zinc/18/75/24/573187524.db2.gz MQRFCADMPSTUMI-UHFFFAOYSA-N 0 3 197.303 2.101 10 0 AEAEHN CCOc1cccc2c1[C@@H](C)NCC2 82785365 573187554 /nfs/dbraw/zinc/18/75/54/573187554.db2.gz YBQONTMQFXTQLT-SECBINFHSA-N 0 3 191.274 2.292 10 0 AEAEHN C[C@H]1CNCc2c(F)ccc(F)c21 82784355 573188061 /nfs/dbraw/zinc/18/80/61/573188061.db2.gz SRQIXRMQXZKFPV-LURJTMIESA-N 0 3 183.201 2.172 10 0 AEAEHN C[C@@H]1NCc2cc(F)ccc2[C@@H]1C 82784519 573188158 /nfs/dbraw/zinc/18/81/58/573188158.db2.gz BZLFSIKDPAYDPU-SFYZADRCSA-N 0 3 179.238 2.421 10 0 AEAEHN C[C@H]1CNCc2cc(F)cc(F)c21 82784375 573188235 /nfs/dbraw/zinc/18/82/35/573188235.db2.gz UPDMTMHSZYURAM-LURJTMIESA-N 0 3 183.201 2.172 10 0 AEAEHN CCC(C)(C)N[C@@H](C)c1ncc[nH]1 308296859 573188309 /nfs/dbraw/zinc/18/83/09/573188309.db2.gz KJOFVLASGRRRCL-QMMMGPOBSA-N 0 3 181.283 2.249 10 0 AEAEHN C[C@@H]1CNCc2c(F)ccc(F)c21 82784354 573188598 /nfs/dbraw/zinc/18/85/98/573188598.db2.gz SRQIXRMQXZKFPV-ZCFIWIBFSA-N 0 3 183.201 2.172 10 0 AEAEHN N=C(N)c1cc2ccsc2s1 142232190 573188662 /nfs/dbraw/zinc/18/86/62/573188662.db2.gz AKAUBDHOBMKKPR-UHFFFAOYSA-N 0 3 182.273 2.247 10 0 AEAEHN C[C@H]1NCc2cc(F)ccc2[C@H]1C 82784516 573188829 /nfs/dbraw/zinc/18/88/29/573188829.db2.gz BZLFSIKDPAYDPU-JGVFFNPUSA-N 0 3 179.238 2.421 10 0 AEAEHN CCc1cnc2ccccc2c1N 238300390 573188855 /nfs/dbraw/zinc/18/88/55/573188855.db2.gz BNGBDKCWTRKABG-UHFFFAOYSA-N 0 3 172.231 2.379 10 0 AEAEHN C[C@@H]1NCc2cc(F)ccc2[C@H]1C 82784518 573189547 /nfs/dbraw/zinc/18/95/47/573189547.db2.gz BZLFSIKDPAYDPU-YUMQZZPRSA-N 0 3 179.238 2.421 10 0 AEAEHN CC1(C)Cc2sccc2[C@H]1N 142189778 573189628 /nfs/dbraw/zinc/18/96/28/573189628.db2.gz WJRUEAXVHVUZCO-MRVPVSSYSA-N 0 3 167.277 2.330 10 0 AEAEHN C[C@H]1c2ccc(F)cc2CN[C@@H]1C 82784517 573189778 /nfs/dbraw/zinc/18/97/78/573189778.db2.gz BZLFSIKDPAYDPU-HTQZYQBOSA-N 0 3 179.238 2.421 10 0 AEAEHN C[C@H]1CNCc2cccc(F)c21 82784359 573189816 /nfs/dbraw/zinc/18/98/16/573189816.db2.gz UDHMUPQGIMTYLH-ZETCQYMHSA-N 0 3 165.211 2.032 10 0 AEAEHN CCc1cccc(OC)c1[C@H](C)N 238302202 573190572 /nfs/dbraw/zinc/19/05/72/573190572.db2.gz WLFALCHDKTXSHK-QMMMGPOBSA-N 0 3 179.263 2.277 10 0 AEAEHN COc1ccc(C)c2c1[C@@H](C)NCC2 82785370 573190028 /nfs/dbraw/zinc/19/00/28/573190028.db2.gz WGDNPMIRRVLTHW-SECBINFHSA-N 0 3 191.274 2.210 10 0 AEAEHN C[C@H](F)Oc1cccc2c1CCNC2 257962850 573190168 /nfs/dbraw/zinc/19/01/68/573190168.db2.gz JJUJYESKVJPURG-MRVPVSSYSA-N 0 3 195.237 2.027 10 0 AEAEHN CCn1cnc([C@H](N)C(C)(C)CC)c1 308513942 573190598 /nfs/dbraw/zinc/19/05/98/573190598.db2.gz DIKBMEYRXOKCLC-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CCc1cccc(OC)c1[C@@H](C)N 238302191 573190658 /nfs/dbraw/zinc/19/06/58/573190658.db2.gz WLFALCHDKTXSHK-MRVPVSSYSA-N 0 3 179.263 2.277 10 0 AEAEHN C[C@@H]1CNCc2cccc(F)c21 82784358 573190847 /nfs/dbraw/zinc/19/08/47/573190847.db2.gz UDHMUPQGIMTYLH-SSDOTTSWSA-N 0 3 165.211 2.032 10 0 AEAEHN CCn1cnc([C@@H](N)C(C)(C)CC)c1 308513945 573191047 /nfs/dbraw/zinc/19/10/47/573191047.db2.gz DIKBMEYRXOKCLC-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@H]1Cc2cccc(F)c2[C@@H](C)N1 82785458 573191637 /nfs/dbraw/zinc/19/16/37/573191637.db2.gz OJOHCKNZLIFJTH-JGVFFNPUSA-N 0 3 179.238 2.421 10 0 AEAEHN C[C@H]1CSC(NC2(C)CCCC2)=N1 82785626 573191800 /nfs/dbraw/zinc/19/18/00/573191800.db2.gz VKMZYEMBFHROCO-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@H]1CCO[C@@H](c2ccccc2)N1 142136099 573191868 /nfs/dbraw/zinc/19/18/68/573191868.db2.gz UGLVZLZAMWNAHL-RYUDHWBXSA-N 0 3 191.274 2.474 10 0 AEAEHN C[C@@H]1Cc2cccc3c2[C@H](CCO3)N1 82785451 573192090 /nfs/dbraw/zinc/19/20/90/573192090.db2.gz IANWMWQOGMXMTK-SCZZXKLOSA-N 0 3 189.258 2.044 10 0 AEAEHN COc1cccc2c1[C@@H](C)N[C@H](C)C2 82785421 573192225 /nfs/dbraw/zinc/19/22/25/573192225.db2.gz NRSNZRFMAQZZKP-RKDXNWHRSA-N 0 3 191.274 2.290 10 0 AEAEHN COc1cccc2c1[C@H](C)N[C@@H](C)C2 82785420 573192411 /nfs/dbraw/zinc/19/24/11/573192411.db2.gz NRSNZRFMAQZZKP-IUCAKERBSA-N 0 3 191.274 2.290 10 0 AEAEHN CC1(NC2=NCCS2)CCCC1 82785634 573192425 /nfs/dbraw/zinc/19/24/25/573192425.db2.gz VMMKFVDMDZHTLP-UHFFFAOYSA-N 0 3 184.308 2.012 10 0 AEAEHN C[C@H]1CN=C(NC2(C)CCCC2)S1 82785619 573193191 /nfs/dbraw/zinc/19/31/91/573193191.db2.gz YHKNTWJEZWVINF-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@@H]1CN(C2(C)CCCC2)CCC1=O 82785555 573193226 /nfs/dbraw/zinc/19/32/26/573193226.db2.gz ZJGKYPSJEKAUAE-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)C[C@@H](C)Oc1cnccc1N 308515468 573193447 /nfs/dbraw/zinc/19/34/47/573193447.db2.gz UXALZFPCKKODCP-SECBINFHSA-N 0 3 194.278 2.477 10 0 AEAEHN COc1cccc2c1[C@H](C)N[C@H](C)C2 82785419 573193459 /nfs/dbraw/zinc/19/34/59/573193459.db2.gz NRSNZRFMAQZZKP-BDAKNGLRSA-N 0 3 191.274 2.290 10 0 AEAEHN CC1(NC2=NCCCS2)CCCC1 82785621 573193544 /nfs/dbraw/zinc/19/35/44/573193544.db2.gz AAMCJVDXHULWCD-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN C[C@H]1Cc2cccc(F)c2[C@H](C)N1 82785456 573194002 /nfs/dbraw/zinc/19/40/02/573194002.db2.gz OJOHCKNZLIFJTH-YUMQZZPRSA-N 0 3 179.238 2.421 10 0 AEAEHN C[C@H]1Cc2cccc3c2[C@@H](CCO3)N1 82785454 573195039 /nfs/dbraw/zinc/19/50/39/573195039.db2.gz IANWMWQOGMXMTK-WCBMZHEXSA-N 0 3 189.258 2.044 10 0 AEAEHN C[C@H]1CN(C2(C)CCCC2)CCC1=O 82785556 573195094 /nfs/dbraw/zinc/19/50/94/573195094.db2.gz ZJGKYPSJEKAUAE-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN CC[NH2+]Cc1cc2c([O-])cccc2o1 257967478 573196955 /nfs/dbraw/zinc/19/69/55/573196955.db2.gz IMRLWQALCKBHMG-UHFFFAOYSA-N 0 3 191.230 2.248 10 0 AEAEHN CCCC[C@H](C)NCc1ccn(C)n1 123817816 573197011 /nfs/dbraw/zinc/19/70/11/573197011.db2.gz UAGUTEZGBGVEAC-JTQLQIEISA-N 0 3 195.310 2.088 10 0 AEAEHN NCc1cc2c(cc1F)CCCC2 257966013 573197958 /nfs/dbraw/zinc/19/79/58/573197958.db2.gz HNJAATNYAUPPAC-UHFFFAOYSA-N 0 3 179.238 2.163 10 0 AEAEHN CCCN[C@H](COC)c1coc(C)c1 132069000 573201488 /nfs/dbraw/zinc/20/14/88/573201488.db2.gz LAWZKCAKRWOHIN-LLVKDONJSA-N 0 3 197.278 2.275 10 0 AEAEHN CCSc1ccc2c(c1)OC[C@H]2N 238310590 573201554 /nfs/dbraw/zinc/20/15/54/573201554.db2.gz DUIJDDBNJXCMHX-SECBINFHSA-N 0 3 195.287 2.191 10 0 AEAEHN Cc1cccc([C@H](F)[C@H]2CCN2)c1 257967946 573201750 /nfs/dbraw/zinc/20/17/50/573201750.db2.gz YHSOOOIAWZVUOJ-MNOVXSKESA-N 0 3 179.238 2.368 10 0 AEAEHN Cc1ccc([C@H]2C[C@@H](C)N2)o1 259036188 573202234 /nfs/dbraw/zinc/20/22/34/573202234.db2.gz BYTYWILDGJYIRV-HTRCEHHLSA-N 0 3 151.209 2.011 10 0 AEAEHN Cc1cccc([C@H](F)[C@@H]2CCN2)c1 257967947 573202242 /nfs/dbraw/zinc/20/22/42/573202242.db2.gz YHSOOOIAWZVUOJ-QWRGUYRKSA-N 0 3 179.238 2.368 10 0 AEAEHN Cc1ccc([C@@H]2C[C@H](C)N2)o1 259036196 573204578 /nfs/dbraw/zinc/20/45/78/573204578.db2.gz BYTYWILDGJYIRV-XPUUQOCRSA-N 0 3 151.209 2.011 10 0 AEAEHN CC(=O)C[C@H](N)c1ccc(F)c(C)c1 259367723 573204600 /nfs/dbraw/zinc/20/46/00/573204600.db2.gz KMKXSGXVGPSDBY-NSHDSACASA-N 0 3 195.237 2.113 10 0 AEAEHN C[C@@H](F)Oc1cccc2c1CNCC2 257964962 573206281 /nfs/dbraw/zinc/20/62/81/573206281.db2.gz JQBIYXMPXWILPG-QMMMGPOBSA-N 0 3 195.237 2.027 10 0 AEAEHN CC(C)c1ncc(CN)cc1Cl 257963947 573206346 /nfs/dbraw/zinc/20/63/46/573206346.db2.gz XSXOIMRZUOHEDG-UHFFFAOYSA-N 0 3 184.670 2.317 10 0 AEAEHN CSC[C@H](C)N(C)Cc1cc[nH]c1 308310586 573207807 /nfs/dbraw/zinc/20/78/07/573207807.db2.gz RJJOGPUHVBVMHV-VIFPVBQESA-N 0 3 198.335 2.198 10 0 AEAEHN CNCc1ncoc1-c1cccs1 85940328 573207839 /nfs/dbraw/zinc/20/78/39/573207839.db2.gz MRMYUSQZSIJPSE-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN C[C@@H](C[NH3+])c1coc2cccc([O-])c12 257963875 573206756 /nfs/dbraw/zinc/20/67/56/573206756.db2.gz SXVBMQCDJPOGQK-ZETCQYMHSA-N 0 3 191.230 2.201 10 0 AEAEHN C1=Cc2cscc2C=CN1 104705972 573206858 /nfs/dbraw/zinc/20/68/58/573206858.db2.gz GFLBBPZJVSQIGD-UHFFFAOYSA-N 0 3 149.218 2.293 10 0 AEAEHN CSC[C@@H](C)N(C)Cc1cc[nH]c1 308310585 573206955 /nfs/dbraw/zinc/20/69/55/573206955.db2.gz RJJOGPUHVBVMHV-SECBINFHSA-N 0 3 198.335 2.198 10 0 AEAEHN CN[C@@H](COC)c1cc(C)c(C)s1 132071977 573207010 /nfs/dbraw/zinc/20/70/10/573207010.db2.gz UOCZRMQKSGVYOV-VIFPVBQESA-N 0 3 199.319 2.272 10 0 AEAEHN CC[C@H]1CNCOC12CCCCC2 238313420 573207523 /nfs/dbraw/zinc/20/75/23/573207523.db2.gz UQEALUTXIMDGGK-JTQLQIEISA-N 0 3 183.295 2.293 10 0 AEAEHN CCO[P@](C)(=O)[C@H]1CCCCN1 238312451 573207702 /nfs/dbraw/zinc/20/77/02/573207702.db2.gz OWRAUALVMLGPDO-UFBFGSQYSA-N 0 3 191.211 2.030 10 0 AEAEHN CNCc1ncoc1-c1ccccc1 85940391 573209820 /nfs/dbraw/zinc/20/98/20/573209820.db2.gz HGJCEAFIGIKAIP-UHFFFAOYSA-N 0 3 188.230 2.061 10 0 AEAEHN CCc1cc(CC)c2c(c1)OC[C@H]2N 238307401 573210980 /nfs/dbraw/zinc/21/09/80/573210980.db2.gz ZURFUUXEABTCEJ-SNVBAGLBSA-N 0 3 191.274 2.204 10 0 AEAEHN CC[C@H](N)c1cc(F)cs1 238312962 573209394 /nfs/dbraw/zinc/20/93/94/573209394.db2.gz IVKUQEPLCFVQGT-LURJTMIESA-N 0 3 159.229 2.297 10 0 AEAEHN CCN[C@H](COC)c1cc(C)oc1C 132093744 573209664 /nfs/dbraw/zinc/20/96/64/573209664.db2.gz UMJNWIGITFULMC-LLVKDONJSA-N 0 3 197.278 2.193 10 0 AEAEHN CN[C@@H](COC)c1c(C)oc(C)c1C 132097079 573210217 /nfs/dbraw/zinc/21/02/17/573210217.db2.gz QJZKPNKOOJGGIU-JTQLQIEISA-N 0 3 197.278 2.112 10 0 AEAEHN COc1c([C@@H](C)N)ccc(C)c1F 257970961 573210450 /nfs/dbraw/zinc/21/04/50/573210450.db2.gz CTBYKPDSTSNIHS-SSDOTTSWSA-N 0 3 183.226 2.162 10 0 AEAEHN CSCc1cccc2c1CNC2 257972599 573210520 /nfs/dbraw/zinc/21/05/20/573210520.db2.gz DMDHNZUWKFMDFJ-UHFFFAOYSA-N 0 3 179.288 2.153 10 0 AEAEHN CCc1cc(CC)c2ncc(N)n2c1 238307477 573210659 /nfs/dbraw/zinc/21/06/59/573210659.db2.gz KHETWSAQNZCZRB-UHFFFAOYSA-N 0 3 189.262 2.041 10 0 AEAEHN C[C@H](F)Oc1ccc2c(c1)CNCC2 257971024 573210768 /nfs/dbraw/zinc/21/07/68/573210768.db2.gz KDCRYNAINYTTPA-MRVPVSSYSA-N 0 3 195.237 2.027 10 0 AEAEHN CCc1cc(CC)c2c(c1)[C@@H](N)CO2 238307316 573214079 /nfs/dbraw/zinc/21/40/79/573214079.db2.gz VJLIOXXAPDPVHK-NSHDSACASA-N 0 3 191.274 2.204 10 0 AEAEHN NCc1ncsc1-c1ccccc1 82817890 573213502 /nfs/dbraw/zinc/21/35/02/573213502.db2.gz GSXOPDNXCRGFMA-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN C[C@H](N)c1cccnc1OC1CCC1 235536972 573213599 /nfs/dbraw/zinc/21/35/99/573213599.db2.gz OLJMHOHKSLMGME-QMMMGPOBSA-N 0 3 192.262 2.033 10 0 AEAEHN CCc1cccc2c1C(=O)CC[C@H]2N 238306898 573213860 /nfs/dbraw/zinc/21/38/60/573213860.db2.gz OBBZPSCWBCISBU-SNVBAGLBSA-N 0 3 189.258 2.225 10 0 AEAEHN CCc1cccc2c1CN[C@H]2C 238306764 573214825 /nfs/dbraw/zinc/21/48/25/573214825.db2.gz BZLNRXNWEXLHPS-QMMMGPOBSA-N 0 3 161.248 2.413 10 0 AEAEHN CCc1cc(CC)c2c(c1)OC[C@@H]2N 238307364 573214717 /nfs/dbraw/zinc/21/47/17/573214717.db2.gz ZURFUUXEABTCEJ-JTQLQIEISA-N 0 3 191.274 2.204 10 0 AEAEHN NC/C(F)=C\Cc1cccc(F)c1 115773635 573216171 /nfs/dbraw/zinc/21/61/71/573216171.db2.gz CJWYUEABTQAOCS-BJMVGYQFSA-N 0 3 183.201 2.180 10 0 AEAEHN NC1([C@@H](F)c2ccccc2F)CC1 257973214 573217679 /nfs/dbraw/zinc/21/76/79/573217679.db2.gz YWFGSCMBSTUUAK-VIFPVBQESA-N 0 3 183.201 2.328 10 0 AEAEHN COc1c(CN)ccc2c1CCCC2 257974923 573219663 /nfs/dbraw/zinc/21/96/63/573219663.db2.gz DEKGYMKMPJSIHQ-UHFFFAOYSA-N 0 3 191.274 2.033 10 0 AEAEHN CCNc1cccc(NCCCF)n1 308518685 573221213 /nfs/dbraw/zinc/22/12/13/573221213.db2.gz GPRAHEPVMVJNQL-UHFFFAOYSA-N 0 3 197.257 2.285 10 0 AEAEHN CC[C@H](O)CCCNc1ccncc1 308518755 573221294 /nfs/dbraw/zinc/22/12/94/573221294.db2.gz NVWCAFKVVXTPJF-NSHDSACASA-N 0 3 194.278 2.045 10 0 AEAEHN CCCNC/C(Cl)=C/Cl 85977347 573222266 /nfs/dbraw/zinc/22/22/66/573222266.db2.gz MWJBQGIBMAIYOT-XQRVVYSFSA-N 0 3 168.067 2.305 10 0 AEAEHN Cl/C=C(/Cl)CNCC1CC1 85976868 573222362 /nfs/dbraw/zinc/22/23/62/573222362.db2.gz PRTMOGCZILTMJX-XVNBXDOJSA-N 0 3 180.078 2.305 10 0 AEAEHN C[C@@H](N)n1c(Cl)cc2cccnc21 258239654 573223456 /nfs/dbraw/zinc/22/34/56/573223456.db2.gz ZOZPJTMWXYSYMJ-LURJTMIESA-N 0 3 195.653 2.167 10 0 AEAEHN Nc1ccncc1OCCC1CCC1 308518947 573223468 /nfs/dbraw/zinc/22/34/68/573223468.db2.gz WNSIWBPUECVJID-UHFFFAOYSA-N 0 3 192.262 2.233 10 0 AEAEHN [NH3+]C1(Cc2cccc(Cl)c2[O-])CC1 257974930 573223526 /nfs/dbraw/zinc/22/35/26/573223526.db2.gz DELMSNGMTCORJV-UHFFFAOYSA-N 0 3 197.665 2.079 10 0 AEAEHN CCO[P@@](C)(=O)[C@H]1CCCCN1 238309382 573223717 /nfs/dbraw/zinc/22/37/17/573223717.db2.gz OWRAUALVMLGPDO-QPUJVOFHSA-N 0 3 191.211 2.030 10 0 AEAEHN C[C@@H]([NH3+])Cc1coc2cccc([O-])c12 257975533 573226335 /nfs/dbraw/zinc/22/63/35/573226335.db2.gz UVGCBMYXRFCIDB-SSDOTTSWSA-N 0 3 191.230 2.028 10 0 AEAEHN CNCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C 238321720 573227437 /nfs/dbraw/zinc/22/74/37/573227437.db2.gz UGYNHFALCFXPAN-BXKDBHETSA-N 0 3 197.322 2.237 10 0 AEAEHN CCCCn1cc([C@@H](C)NC)nc1C 308519875 573227475 /nfs/dbraw/zinc/22/74/75/573227475.db2.gz HCJYNLLIEBBHKB-SECBINFHSA-N 0 3 195.310 2.272 10 0 AEAEHN CNCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C 238321732 573227494 /nfs/dbraw/zinc/22/74/94/573227494.db2.gz UGYNHFALCFXPAN-JOYOIKCWSA-N 0 3 197.322 2.237 10 0 AEAEHN Fc1cccc2c1CNC1(CC1)C2 259038228 573228390 /nfs/dbraw/zinc/22/83/90/573228390.db2.gz ABHVSCKWBKOETB-UHFFFAOYSA-N 0 3 177.222 2.004 10 0 AEAEHN Cc1nc(C2CCCCC2)c(N)n1C 104848820 573228461 /nfs/dbraw/zinc/22/84/61/573228461.db2.gz XITZYRWYXSSTEC-UHFFFAOYSA-N 0 3 193.294 2.358 10 0 AEAEHN CCc1nc(C2CCCC2)n(C)c1N 104907872 573230720 /nfs/dbraw/zinc/23/07/20/573230720.db2.gz OJVFISFQQZQGBF-UHFFFAOYSA-N 0 3 193.294 2.222 10 0 AEAEHN CCc1nc(C)c(N)n1C(C)(C)C 104907732 573230764 /nfs/dbraw/zinc/23/07/64/573230764.db2.gz OVPYSHQJBHWRGQ-UHFFFAOYSA-N 0 3 181.283 2.091 10 0 AEAEHN CCc1nc(C2CCCC2)c(N)n1C 104907701 573231146 /nfs/dbraw/zinc/23/11/46/573231146.db2.gz FGJDXRSKEQOIQB-UHFFFAOYSA-N 0 3 193.294 2.222 10 0 AEAEHN Cc1nc(C(C)C)n(C2CC2)c1N 104907780 573231194 /nfs/dbraw/zinc/23/11/94/573231194.db2.gz WYQPPAHYIXYZFZ-UHFFFAOYSA-N 0 3 179.267 2.232 10 0 AEAEHN CC(C)c1nc(C2CC2)c(N)n1C 104907761 573231317 /nfs/dbraw/zinc/23/13/17/573231317.db2.gz SJZANQJLTDGPIT-UHFFFAOYSA-N 0 3 179.267 2.003 10 0 AEAEHN CCc1nc(C)n(C(C)(C)C)c1N 104907601 573231949 /nfs/dbraw/zinc/23/19/49/573231949.db2.gz GJXSDJSIMAYWQP-UHFFFAOYSA-N 0 3 181.283 2.091 10 0 AEAEHN CCn1c(C2CCCC2)nc(C)c1N 104907881 573232025 /nfs/dbraw/zinc/23/20/25/573232025.db2.gz VIRSLKWUKYZSJC-UHFFFAOYSA-N 0 3 193.294 2.451 10 0 AEAEHN Cc1nc(C2CC2)n(C(C)(C)C)c1N 104907822 573232066 /nfs/dbraw/zinc/23/20/66/573232066.db2.gz ADFHBGNNKJKGIA-UHFFFAOYSA-N 0 3 193.294 2.406 10 0 AEAEHN CC[C@@H](C)c1n[nH]cc1CNC1CC1 308524702 573232181 /nfs/dbraw/zinc/23/21/81/573232181.db2.gz IOMNIDTXZYRDBE-MRVPVSSYSA-N 0 3 193.294 2.175 10 0 AEAEHN CCc1cnc(Cl)c(CNC)c1 238323558 573232433 /nfs/dbraw/zinc/23/24/33/573232433.db2.gz KXBCJMOICDPPNH-UHFFFAOYSA-N 0 3 184.670 2.017 10 0 AEAEHN Cc1nc(C2CC2)c(N)n1C(C)(C)C 104907612 573232516 /nfs/dbraw/zinc/23/25/16/573232516.db2.gz DWMAZGUPKXJECV-UHFFFAOYSA-N 0 3 193.294 2.406 10 0 AEAEHN Cc1nc(C(C)C)c(N)n1C(C)C 104907577 573233006 /nfs/dbraw/zinc/23/30/06/573233006.db2.gz WQZYUUFVKDOTAO-UHFFFAOYSA-N 0 3 181.283 2.478 10 0 AEAEHN Cc1nc(C2CC2)n(C(C)C)c1N 104907817 573233420 /nfs/dbraw/zinc/23/34/20/573233420.db2.gz IKKWZIDYSCJIGS-UHFFFAOYSA-N 0 3 179.267 2.232 10 0 AEAEHN Cc1nc(C(C)C)c(N)n1C1CC1 104907593 573233591 /nfs/dbraw/zinc/23/35/91/573233591.db2.gz ABMDYMGZXMFPLC-UHFFFAOYSA-N 0 3 179.267 2.232 10 0 AEAEHN CCc1cc(CN(C)C)cc(C)c1O 238323591 573233592 /nfs/dbraw/zinc/23/35/92/573233592.db2.gz CQDXNKXHFFWXHX-UHFFFAOYSA-N 0 3 193.290 2.325 10 0 AEAEHN CCn1c(C(C)(C)C)nc(C)c1N 104907847 573233628 /nfs/dbraw/zinc/23/36/28/573233628.db2.gz ARSAAYGEACDFSX-UHFFFAOYSA-N 0 3 181.283 2.091 10 0 AEAEHN CCn1c(C)nc(C2CCCC2)c1N 104907557 573233666 /nfs/dbraw/zinc/23/36/66/573233666.db2.gz VBYPHGLRTWFJOQ-UHFFFAOYSA-N 0 3 193.294 2.451 10 0 AEAEHN Cc1nc(C(C)C)n(C(C)C)c1N 104907775 573233929 /nfs/dbraw/zinc/23/39/29/573233929.db2.gz ZFOOQHCRQITERN-UHFFFAOYSA-N 0 3 181.283 2.478 10 0 AEAEHN CCn1c(C)nc(C(C)(C)C)c1N 104907549 573233964 /nfs/dbraw/zinc/23/39/64/573233964.db2.gz BOQVYRXLRMGZBU-UHFFFAOYSA-N 0 3 181.283 2.091 10 0 AEAEHN Cc1ncc(CNC(C)C)n1C(C)C 258242495 573234005 /nfs/dbraw/zinc/23/40/05/573234005.db2.gz QSVNRBVEZSJLBP-UHFFFAOYSA-N 0 3 195.310 2.270 10 0 AEAEHN CCc1nc([C@@H](C)N)cn1CC(C)C 308524654 573234026 /nfs/dbraw/zinc/23/40/26/573234026.db2.gz AQCOFSUTLZIDHV-SECBINFHSA-N 0 3 195.310 2.121 10 0 AEAEHN CCOc1ccccc1C1(N)CC1 115990412 573235602 /nfs/dbraw/zinc/23/56/02/573235602.db2.gz LOWJMIPRJNHYMY-UHFFFAOYSA-N 0 3 177.247 2.033 10 0 AEAEHN CN1CC[C@@H]2CCc3ccncc3[C@@H]21 9315 573235579 /nfs/dbraw/zinc/23/55/79/573235579.db2.gz ZZGFWRKTYORFQP-CMPLNLGQSA-N 0 3 188.274 2.021 10 0 AEAEHN CCC[C@H](C)[C@H](C)C[C@H]1COCCN1 308526703 573235597 /nfs/dbraw/zinc/23/55/97/573235597.db2.gz BFWIUMBLRAWBHL-TUAOUCFPSA-N 0 3 199.338 2.437 10 0 AEAEHN CC(C)=C[C@H](N)c1ccncc1 86025127 573237817 /nfs/dbraw/zinc/23/78/17/573237817.db2.gz REOKRZMNAXJADA-JTQLQIEISA-N 0 3 162.236 2.048 10 0 AEAEHN Cc1ccc2occ(CN)c2c1 82850300 573237832 /nfs/dbraw/zinc/23/78/32/573237832.db2.gz LDHLTMLGBSJKIQ-UHFFFAOYSA-N 0 3 161.204 2.200 10 0 AEAEHN CCn1cnc([C@@H](NC)C(C)(C)C)c1 308528001 573238021 /nfs/dbraw/zinc/23/80/21/573238021.db2.gz JKRYRBAEQCQGRV-SNVBAGLBSA-N 0 3 195.310 2.210 10 0 AEAEHN CCn1c(C)nc(CC(C)(C)C)c1N 105064849 573238088 /nfs/dbraw/zinc/23/80/88/573238088.db2.gz JJBPHNBNXYCYSZ-UHFFFAOYSA-N 0 3 195.310 2.382 10 0 AEAEHN CC(C)Cc1nc(C2CC2)n(C)c1N 105025405 573238151 /nfs/dbraw/zinc/23/81/51/573238151.db2.gz IBEPSJWYTJYJEL-UHFFFAOYSA-N 0 3 193.294 2.078 10 0 AEAEHN CCc1nc(C(C)C)n(C2CC2)c1N 105025380 573238186 /nfs/dbraw/zinc/23/81/86/573238186.db2.gz NHDIYBDWQPIESV-UHFFFAOYSA-N 0 3 193.294 2.486 10 0 AEAEHN CC(C)Cc1ccsc1CN 82854768 573238289 /nfs/dbraw/zinc/23/82/89/573238289.db2.gz YUPHJZRMXFDIGV-UHFFFAOYSA-N 0 3 169.293 2.405 10 0 AEAEHN CCc1nc(C(C)C)c(N)n1C1CC1 105025278 573238295 /nfs/dbraw/zinc/23/82/95/573238295.db2.gz UPQOAIJYIGDCJB-UHFFFAOYSA-N 0 3 193.294 2.486 10 0 AEAEHN CCCc1nccc([C@H](C)NCC)n1 308528098 573238304 /nfs/dbraw/zinc/23/83/04/573238304.db2.gz PWAZYKPDAPARNO-VIFPVBQESA-N 0 3 193.294 2.100 10 0 AEAEHN Cc1ccc(F)c(C(C)(C)N)c1F 115990421 573238435 /nfs/dbraw/zinc/23/84/35/573238435.db2.gz XOBRUZPXFHCNQG-UHFFFAOYSA-N 0 3 185.217 2.467 10 0 AEAEHN CCCc1nccc([C@@H](C)NCC)n1 308528097 573238436 /nfs/dbraw/zinc/23/84/36/573238436.db2.gz PWAZYKPDAPARNO-SECBINFHSA-N 0 3 193.294 2.100 10 0 AEAEHN CN[C@@H](C=C(C)C)c1cccnc1 86025848 573238440 /nfs/dbraw/zinc/23/84/40/573238440.db2.gz BBMBPLLFXRWHKK-NSHDSACASA-N 0 3 176.263 2.308 10 0 AEAEHN CCc1nc([C@@H](C)CC)c(N)n1C 105025227 573238491 /nfs/dbraw/zinc/23/84/91/573238491.db2.gz BTXVPLUVICLPSH-ZETCQYMHSA-N 0 3 181.283 2.078 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccncc1 86025136 573239982 /nfs/dbraw/zinc/23/99/82/573239982.db2.gz REOKRZMNAXJADA-SNVBAGLBSA-N 0 3 162.236 2.048 10 0 AEAEHN Cl/C=C/CNC[C@H]1CCCS1 236014293 573240174 /nfs/dbraw/zinc/24/01/74/573240174.db2.gz KPYDWEWLNZQXCE-BYDTYLDUSA-N 0 3 191.727 2.224 10 0 AEAEHN CCc1ccccc1[C@@H](N)CF 238314259 573240216 /nfs/dbraw/zinc/24/02/16/573240216.db2.gz SRVPVGALPPNFOU-JTQLQIEISA-N 0 3 167.227 2.218 10 0 AEAEHN CC(C)Cc1nc(C(C)C)n(C)c1N 105025347 573240293 /nfs/dbraw/zinc/24/02/93/573240293.db2.gz GMOTUFCABKROMA-UHFFFAOYSA-N 0 3 195.310 2.324 10 0 AEAEHN CN[C@@H](C)c1cc(C)cnc1Cl 238324437 573240311 /nfs/dbraw/zinc/24/03/11/573240311.db2.gz YZYPHZUIVRUGIE-ZETCQYMHSA-N 0 3 184.670 2.324 10 0 AEAEHN CN[C@H](C=C(C)C)c1ccncc1 86025911 573240335 /nfs/dbraw/zinc/24/03/35/573240335.db2.gz ASSPSAGJSVWEPW-LLVKDONJSA-N 0 3 176.263 2.308 10 0 AEAEHN CN[C@@H](C=C(C)C)c1ccccn1 86025793 573240351 /nfs/dbraw/zinc/24/03/51/573240351.db2.gz VSTHJIYVNLJGPS-NSHDSACASA-N 0 3 176.263 2.308 10 0 AEAEHN Cc1ccc(CCN(C)C)c(F)c1 238315240 573241286 /nfs/dbraw/zinc/24/12/86/573241286.db2.gz RZGDSXVJIODPIP-UHFFFAOYSA-N 0 3 181.254 2.238 10 0 AEAEHN CN(C)CCc1cccc(F)c1F 238315470 573241343 /nfs/dbraw/zinc/24/13/43/573241343.db2.gz ZIMVSHPCBWIOMR-UHFFFAOYSA-N 0 3 185.217 2.069 10 0 AEAEHN CCCC[C@@H](C)Nc1nccn1C 50889348 573241618 /nfs/dbraw/zinc/24/16/18/573241618.db2.gz BXANKSHMHBTNMQ-SECBINFHSA-N 0 3 181.283 2.411 10 0 AEAEHN CC(C)=C[C@H](N)c1cc(C)ccn1 86056291 573241637 /nfs/dbraw/zinc/24/16/37/573241637.db2.gz PKZQSFFFBXKKHJ-JTQLQIEISA-N 0 3 176.263 2.356 10 0 AEAEHN CCCC[C@H](C)Nc1nccn1C 50889349 573241764 /nfs/dbraw/zinc/24/17/64/573241764.db2.gz BXANKSHMHBTNMQ-VIFPVBQESA-N 0 3 181.283 2.411 10 0 AEAEHN CC(C)=C[C@H](N)c1cccc(C)n1 86056177 573241796 /nfs/dbraw/zinc/24/17/96/573241796.db2.gz RGFBZYODEZHOGK-JTQLQIEISA-N 0 3 176.263 2.356 10 0 AEAEHN CN[C@]1(C)C(C)=C(C)[C@@]1(C)Cl 238315938 573241917 /nfs/dbraw/zinc/24/19/17/573241917.db2.gz ZLVOPSUDTXCSHO-RKDXNWHRSA-N 0 3 173.687 2.312 10 0 AEAEHN CC1CCC(n2cc(CN)cn2)CC1 82856436 573242281 /nfs/dbraw/zinc/24/22/81/573242281.db2.gz VLDGUIYWAPYMNT-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN CCOc1nccc([C@@H](N)CC)c1F 308521643 573242313 /nfs/dbraw/zinc/24/23/13/573242313.db2.gz IAKLWKXJPFEZFI-QMMMGPOBSA-N 0 3 198.241 2.029 10 0 AEAEHN CN(Cc1ccc(F)cc1N)C1CC1 82864499 573244877 /nfs/dbraw/zinc/24/48/77/573244877.db2.gz MFFLMFCEWFKTQL-UHFFFAOYSA-N 0 3 194.253 2.002 10 0 AEAEHN CN[C@@H](O)c1ccc2ccccc2c1 259604336 573248161 /nfs/dbraw/zinc/24/81/61/573248161.db2.gz YFCFENQAOIMOBP-LBPRGKRZSA-N 0 3 187.242 2.050 10 0 AEAEHN COC(C)(C)[C@H](N)c1ccc(F)cc1 86073223 573248165 /nfs/dbraw/zinc/24/81/65/573248165.db2.gz NJONPSKXVHFWPT-SNVBAGLBSA-N 0 3 197.253 2.251 10 0 AEAEHN COC(C)(C)[C@H](N)c1cccc(C)c1 86072724 573248213 /nfs/dbraw/zinc/24/82/13/573248213.db2.gz FBWAVQMSHXVGIG-LLVKDONJSA-N 0 3 193.290 2.420 10 0 AEAEHN Cc1ccccc1[C@@]1(C)NC[C@@H](C)O1 258609334 573248282 /nfs/dbraw/zinc/24/82/82/573248282.db2.gz QWSIGPLDLHJEMU-PWSUYJOCSA-N 0 3 191.274 2.176 10 0 AEAEHN COC(C)(C)[C@H](N)c1ccccc1 86073046 573248322 /nfs/dbraw/zinc/24/83/22/573248322.db2.gz TWHLTZMRVCGXTQ-SNVBAGLBSA-N 0 3 179.263 2.111 10 0 AEAEHN CC[C@H](N)C(=O)CC[C@@H]1C[C@H]1C1CC1 714861848 573248374 /nfs/dbraw/zinc/24/83/74/573248374.db2.gz BHWFNPHQCIPROJ-VWYCJHECSA-N 0 3 195.306 2.119 10 0 AEAEHN Cc1c(C)c2ccccn2c1CN 82868331 573248471 /nfs/dbraw/zinc/24/84/71/573248471.db2.gz UGWGJYJMPGBNEP-UHFFFAOYSA-N 0 3 174.247 2.015 10 0 AEAEHN COC(C)(C)[C@H](N)c1ccc(C)cc1 86072866 573248540 /nfs/dbraw/zinc/24/85/40/573248540.db2.gz AAONYMJIMRSXLB-LLVKDONJSA-N 0 3 193.290 2.420 10 0 AEAEHN Cc1cc(F)c([C@H](C)N)s1 257775509 573248565 /nfs/dbraw/zinc/24/85/65/573248565.db2.gz VWZBPGYARTZWRA-YFKPBYRVSA-N 0 3 159.229 2.215 10 0 AEAEHN CN[C@H](OC)c1ccc(C)c(C)c1 259049274 573248654 /nfs/dbraw/zinc/24/86/54/573248654.db2.gz AGHOKPYELCBZCZ-LLVKDONJSA-N 0 3 179.263 2.168 10 0 AEAEHN CN[C@@H](OC)c1ccc(C)c(C)c1 259049278 573249162 /nfs/dbraw/zinc/24/91/62/573249162.db2.gz AGHOKPYELCBZCZ-NSHDSACASA-N 0 3 179.263 2.168 10 0 AEAEHN COC(C)(C)[C@H](N)c1ccsc1 86072710 573248728 /nfs/dbraw/zinc/24/87/28/573248728.db2.gz XCKVAQSOPKJUTE-MRVPVSSYSA-N 0 3 185.292 2.173 10 0 AEAEHN COC(C)(C)[C@@H](N)c1cccs1 86073424 573248759 /nfs/dbraw/zinc/24/87/59/573248759.db2.gz WUEHGGNHMSHZHU-QMMMGPOBSA-N 0 3 185.292 2.173 10 0 AEAEHN FC1(CNCc2cc[nH]c2)CCCC1 308523788 573248769 /nfs/dbraw/zinc/24/87/69/573248769.db2.gz VTRSYHPPADRXKK-UHFFFAOYSA-N 0 3 196.269 2.387 10 0 AEAEHN Cc1ccccc1[C@@]1(C)NC[C@H](C)O1 258609324 573249866 /nfs/dbraw/zinc/24/98/66/573249866.db2.gz QWSIGPLDLHJEMU-JQWIXIFHSA-N 0 3 191.274 2.176 10 0 AEAEHN Cc1cc(F)c([C@@H](C)N)s1 257775507 573249892 /nfs/dbraw/zinc/24/98/92/573249892.db2.gz VWZBPGYARTZWRA-RXMQYKEDSA-N 0 3 159.229 2.215 10 0 AEAEHN COC(C)(C)[C@@H](N)c1cccc(F)c1 86073117 573251237 /nfs/dbraw/zinc/25/12/37/573251237.db2.gz RHZWRHJGNSJCIJ-JTQLQIEISA-N 0 3 197.253 2.251 10 0 AEAEHN COC(C)(C)[C@@H](N)c1ccc(F)cc1 86073226 573251299 /nfs/dbraw/zinc/25/12/99/573251299.db2.gz NJONPSKXVHFWPT-JTQLQIEISA-N 0 3 197.253 2.251 10 0 AEAEHN CCc1ccccc1CN(C)C 116147176 573251342 /nfs/dbraw/zinc/25/13/42/573251342.db2.gz DLYYDPQXPGXXNB-UHFFFAOYSA-N 0 3 163.264 2.311 10 0 AEAEHN COC(C)(C)[C@@H](N)c1cccc(C)c1 86072723 573251371 /nfs/dbraw/zinc/25/13/71/573251371.db2.gz FBWAVQMSHXVGIG-NSHDSACASA-N 0 3 193.290 2.420 10 0 AEAEHN CC[C@H]1N[C@@H](c2ccccc2)CO1 238318166 573252280 /nfs/dbraw/zinc/25/22/80/573252280.db2.gz GUQRPZSDUYFQPK-MNOVXSKESA-N 0 3 177.247 2.084 10 0 AEAEHN CC[C@H]1CNCc2c(F)cccc21 258249378 573253253 /nfs/dbraw/zinc/25/32/53/573253253.db2.gz QAZMJECIFJBADS-QMMMGPOBSA-N 0 3 179.238 2.423 10 0 AEAEHN CN[C@@H](CSC)c1ccc(C)o1 259055548 573254384 /nfs/dbraw/zinc/25/43/84/573254384.db2.gz GOCOSOGKIVISPT-QMMMGPOBSA-N 0 3 185.292 2.212 10 0 AEAEHN CC[C@H](N)c1ccccc1NC(C)=O 238318684 573254419 /nfs/dbraw/zinc/25/44/19/573254419.db2.gz LOKOQYAOWQKIQV-JTQLQIEISA-N 0 3 192.262 2.055 10 0 AEAEHN CC[C@H]1N[C@H](c2ccccc2)CO1 238318316 573254483 /nfs/dbraw/zinc/25/44/83/573254483.db2.gz GUQRPZSDUYFQPK-QWRGUYRKSA-N 0 3 177.247 2.084 10 0 AEAEHN CC[C@@H]1CNCc2c(F)cccc21 258249371 573255867 /nfs/dbraw/zinc/25/58/67/573255867.db2.gz QAZMJECIFJBADS-MRVPVSSYSA-N 0 3 179.238 2.423 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1ccc(O)cc1 257980719 573256147 /nfs/dbraw/zinc/25/61/47/573256147.db2.gz ZQQVXDLMEITFBU-XVKPBYJWSA-N 0 3 183.226 2.011 10 0 AEAEHN NC[C@@H](F)CSc1ccccc1 257981347 573256482 /nfs/dbraw/zinc/25/64/82/573256482.db2.gz ZSABLONNCGTQBR-MRVPVSSYSA-N 0 3 185.267 2.076 10 0 AEAEHN CN[C@H](C)[C@H](F)c1ccc(O)cc1 257980717 573256544 /nfs/dbraw/zinc/25/65/44/573256544.db2.gz ZQQVXDLMEITFBU-XCBNKYQSSA-N 0 3 183.226 2.011 10 0 AEAEHN CCc1cc2ncc(N)n2cc1CC 238319333 573257647 /nfs/dbraw/zinc/25/76/47/573257647.db2.gz HTBOJEUSZUGGMW-UHFFFAOYSA-N 0 3 189.262 2.041 10 0 AEAEHN Cc1cc([O-])c(F)c([C@@H]2CCC[NH2+]2)c1 257981454 573259555 /nfs/dbraw/zinc/25/95/55/573259555.db2.gz DRTBCCXPSBTTFC-VIFPVBQESA-N 0 3 195.237 2.264 10 0 AEAEHN CCc1cc(Cl)cc2c1OC[C@H]2N 238326818 573259559 /nfs/dbraw/zinc/25/95/59/573259559.db2.gz SLVXDJJOFWUKBC-SECBINFHSA-N 0 3 197.665 2.295 10 0 AEAEHN CC[C@H](N)c1cscc1OC 238320410 573260228 /nfs/dbraw/zinc/26/02/28/573260228.db2.gz SSPDGFVMRISQMO-ZETCQYMHSA-N 0 3 171.265 2.167 10 0 AEAEHN FC1(CNC[C@H]2CCC=CO2)CCC1 308531040 573260828 /nfs/dbraw/zinc/26/08/28/573260828.db2.gz ZSWXECRXJOJXLH-SNVBAGLBSA-N 0 3 199.269 2.161 10 0 AEAEHN CC[C@@H](N)C(=O)CC1(CC)CCC1 308332207 573260869 /nfs/dbraw/zinc/26/08/69/573260869.db2.gz LLQBWPKGFVEWBK-SECBINFHSA-N 0 3 183.295 2.263 10 0 AEAEHN C[C@H](N)c1ccc(Cl)c2c1OCO2 258263003 573262110 /nfs/dbraw/zinc/26/21/10/573262110.db2.gz YRUASEKRRKNZHW-YFKPBYRVSA-N 0 3 199.637 2.088 10 0 AEAEHN CN[C@@H](C)c1cc(F)cnc1Cl 238327001 573262270 /nfs/dbraw/zinc/26/22/70/573262270.db2.gz JNRDYKQZWAAZIQ-YFKPBYRVSA-N 0 3 188.633 2.155 10 0 AEAEHN C[C@@H](N)c1ccc(Cl)c2c1OCO2 258263002 573262308 /nfs/dbraw/zinc/26/23/08/573262308.db2.gz YRUASEKRRKNZHW-RXMQYKEDSA-N 0 3 199.637 2.088 10 0 AEAEHN CCCC(=O)CN1CCCC[C@H]1C 50184092 573264165 /nfs/dbraw/zinc/26/41/65/573264165.db2.gz DZBVKPFJKBUTGX-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCC(=O)CN1CCC[C@H](CC)C1 50184154 573263266 /nfs/dbraw/zinc/26/32/66/573263266.db2.gz OWLKTLPGLGAWAJ-NSHDSACASA-N 0 3 197.322 2.478 10 0 AEAEHN CCCC(=O)CN1C[C@@H](C)C[C@H](C)C1 50184081 573263394 /nfs/dbraw/zinc/26/33/94/573263394.db2.gz ASJOCZYHZVRLIA-QWRGUYRKSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](N)C(=O)CC1(CC)CCC1 308332208 573263434 /nfs/dbraw/zinc/26/34/34/573263434.db2.gz LLQBWPKGFVEWBK-VIFPVBQESA-N 0 3 183.295 2.263 10 0 AEAEHN CCc1cc(Cl)cc2c1OC[C@@H]2N 238326765 573263628 /nfs/dbraw/zinc/26/36/28/573263628.db2.gz SLVXDJJOFWUKBC-VIFPVBQESA-N 0 3 197.665 2.295 10 0 AEAEHN [NH3+]CCCCc1ccc([O-])c(Cl)c1 258268001 573263677 /nfs/dbraw/zinc/26/36/77/573263677.db2.gz ZARAXYXFIMBGDJ-UHFFFAOYSA-N 0 3 199.681 2.327 10 0 AEAEHN CCCC(=O)CN(C)[C@H](C)C(C)C 50184149 573263697 /nfs/dbraw/zinc/26/36/97/573263697.db2.gz YOFFQUAPGBYKJR-SNVBAGLBSA-N 0 3 185.311 2.332 10 0 AEAEHN FC1(CNC[C@@H]2CCC=CO2)CCC1 308531039 573263763 /nfs/dbraw/zinc/26/37/63/573263763.db2.gz ZSWXECRXJOJXLH-JTQLQIEISA-N 0 3 199.269 2.161 10 0 AEAEHN CCCCN(CC)CC(=O)CCC 50184070 573264001 /nfs/dbraw/zinc/26/40/01/573264001.db2.gz SZISEMJDRRLELB-UHFFFAOYSA-N 0 3 185.311 2.478 10 0 AEAEHN Cc1ccccc1[C@H](F)[C@H](C)N 258615886 573264143 /nfs/dbraw/zinc/26/41/43/573264143.db2.gz WIAAVKCLCQUYIL-WCBMZHEXSA-N 0 3 167.227 2.353 10 0 AEAEHN CCCC(=O)CN1C[C@H](C)C[C@@H](C)C1 50184082 573264175 /nfs/dbraw/zinc/26/41/75/573264175.db2.gz ASJOCZYHZVRLIA-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC(=O)CN(CCC)C1CC1 50184127 573264250 /nfs/dbraw/zinc/26/42/50/573264250.db2.gz AUJYDJDWAMIVRC-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCC(=O)CN1CCCC[C@@H]1C 50184091 573264270 /nfs/dbraw/zinc/26/42/70/573264270.db2.gz DZBVKPFJKBUTGX-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CN[C@@H]1Cc2ccc(Cl)cc21 258615813 573264474 /nfs/dbraw/zinc/26/44/74/573264474.db2.gz WGISGXUWJKUGGD-SECBINFHSA-N 0 3 167.639 2.157 10 0 AEAEHN CCCC(=O)CN(CC)C(C)C 50184121 573264507 /nfs/dbraw/zinc/26/45/07/573264507.db2.gz CSZBLTAHJZDEMS-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN Cc1ccccc1[C@@H](F)[C@@H](C)N 258615882 573264570 /nfs/dbraw/zinc/26/45/70/573264570.db2.gz WIAAVKCLCQUYIL-SCZZXKLOSA-N 0 3 167.227 2.353 10 0 AEAEHN CCCC(=O)CN1C[C@@H](C)C[C@@H](C)C1 50184080 573264608 /nfs/dbraw/zinc/26/46/08/573264608.db2.gz ASJOCZYHZVRLIA-PHIMTYICSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC(=O)CN(CC)CC(C)C 50184132 573266609 /nfs/dbraw/zinc/26/66/09/573266609.db2.gz CYQVHUUACLPJEE-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CCc1cc(Cl)cn2c(N)cnc12 238328188 573264725 /nfs/dbraw/zinc/26/47/25/573264725.db2.gz JODRLSRWLJWWPN-UHFFFAOYSA-N 0 3 195.653 2.132 10 0 AEAEHN CCCC(=O)CN(C)[C@@H](C)CCC 50184152 573264748 /nfs/dbraw/zinc/26/47/48/573264748.db2.gz QMMBVTGFGYQMEQ-JTQLQIEISA-N 0 3 185.311 2.476 10 0 AEAEHN CCCC(=O)CN(CC)[C@H](C)CC 50184134 573264825 /nfs/dbraw/zinc/26/48/25/573264825.db2.gz YCNNUMUKGWSDAK-SNVBAGLBSA-N 0 3 185.311 2.476 10 0 AEAEHN CCCC(=O)CN(C)C(CC)CC 50184150 573264940 /nfs/dbraw/zinc/26/49/40/573264940.db2.gz IYFUVWUDLUIRPS-UHFFFAOYSA-N 0 3 185.311 2.476 10 0 AEAEHN CCCC(=O)CN(CCC)CCC 50184105 573265032 /nfs/dbraw/zinc/26/50/32/573265032.db2.gz NFYNEXFEOOUVJA-UHFFFAOYSA-N 0 3 185.311 2.478 10 0 AEAEHN Cc1ccccc1[C@H](F)[C@@H](C)N 258615877 573265084 /nfs/dbraw/zinc/26/50/84/573265084.db2.gz WIAAVKCLCQUYIL-PSASIEDQSA-N 0 3 167.227 2.353 10 0 AEAEHN CCNCC(=O)C[C@H]1CCC[C@@H](C)C1 308533014 573265091 /nfs/dbraw/zinc/26/50/91/573265091.db2.gz RAXOKCZLXQAQLS-MNOVXSKESA-N 0 3 197.322 2.381 10 0 AEAEHN CCNCC(=O)C[C@@H]1CCC[C@@H](C)C1 308533012 573265399 /nfs/dbraw/zinc/26/53/99/573265399.db2.gz RAXOKCZLXQAQLS-GHMZBOCLSA-N 0 3 197.322 2.381 10 0 AEAEHN Cc1nc(CNC(C)C)cn1C(C)C 258268337 573265490 /nfs/dbraw/zinc/26/54/90/573265490.db2.gz SKMVJQHCCHQYBW-UHFFFAOYSA-N 0 3 195.310 2.270 10 0 AEAEHN CCCC(=O)CN(C)[C@H](C)CCC 50184151 573265645 /nfs/dbraw/zinc/26/56/45/573265645.db2.gz QMMBVTGFGYQMEQ-SNVBAGLBSA-N 0 3 185.311 2.476 10 0 AEAEHN Cc1ccccc1[C@@H](F)[C@H](C)N 258615892 573265647 /nfs/dbraw/zinc/26/56/47/573265647.db2.gz WIAAVKCLCQUYIL-WPRPVWTQSA-N 0 3 167.227 2.353 10 0 AEAEHN CCN1CCC=C(CCC(C)=O)C1 258265735 573265778 /nfs/dbraw/zinc/26/57/78/573265778.db2.gz YQLBMEBPFZWWLD-UHFFFAOYSA-N 0 3 181.279 2.008 10 0 AEAEHN CCCC(=O)CN1CCC[C@@H]1CC 50184174 573266042 /nfs/dbraw/zinc/26/60/42/573266042.db2.gz XLOCBBTUQQXQMB-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CCCC(=O)CN(CCC)C(C)C 50184126 573266078 /nfs/dbraw/zinc/26/60/78/573266078.db2.gz COZLKJWLNJIBLB-UHFFFAOYSA-N 0 3 185.311 2.476 10 0 AEAEHN CCCC(=O)CN(CC)CCC 50184125 573266206 /nfs/dbraw/zinc/26/62/06/573266206.db2.gz CTHLNCKSPYEBNI-UHFFFAOYSA-N 0 3 171.284 2.088 10 0 AEAEHN CCNCC(=O)C[C@@H]1CCC[C@H](C)C1 308533018 573266392 /nfs/dbraw/zinc/26/63/92/573266392.db2.gz RAXOKCZLXQAQLS-WDEREUQCSA-N 0 3 197.322 2.381 10 0 AEAEHN CCCC(=O)CN1CCC[C@@H](CC)C1 50184155 573267929 /nfs/dbraw/zinc/26/79/29/573267929.db2.gz OWLKTLPGLGAWAJ-LLVKDONJSA-N 0 3 197.322 2.478 10 0 AEAEHN CCCC(=O)CN1CCC[C@H](C)C1 50184098 573266484 /nfs/dbraw/zinc/26/64/84/573266484.db2.gz CRZKTMWSXSHYEG-JTQLQIEISA-N 0 3 183.295 2.088 10 0 AEAEHN CN[C@H]1Cc2ccc(Cl)cc21 258615818 573266577 /nfs/dbraw/zinc/26/65/77/573266577.db2.gz WGISGXUWJKUGGD-VIFPVBQESA-N 0 3 167.639 2.157 10 0 AEAEHN CCCC(=O)CN(C)[C@@H](C)CC 50184130 573266683 /nfs/dbraw/zinc/26/66/83/573266683.db2.gz WIIRCWRQOBUHSJ-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CCCC(=O)CN(C)[C@H](C)C1CC1 50184147 573266748 /nfs/dbraw/zinc/26/67/48/573266748.db2.gz NOCFZYQQPLNWLG-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCCC(=O)CN(C)C[C@@H](C)CC 50184136 573266848 /nfs/dbraw/zinc/26/68/48/573266848.db2.gz PUPJBPLYCCEYFX-JTQLQIEISA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC(=O)CN(C)C1CCCC1 50184124 573266920 /nfs/dbraw/zinc/26/69/20/573266920.db2.gz YUMHOZCYCUVXIA-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CC[C@@H](C)[C@@H](N)C(=O)CC(C)(C)C 212789697 573267483 /nfs/dbraw/zinc/26/74/83/573267483.db2.gz LCNFRDXMASEPEW-PSASIEDQSA-N 0 3 185.311 2.365 10 0 AEAEHN CCCC(=O)CN(C)[C@H](C)CC 50184131 573267509 /nfs/dbraw/zinc/26/75/09/573267509.db2.gz WIIRCWRQOBUHSJ-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CCCC(=O)CN(C)CC(C)(C)C 50184256 573267585 /nfs/dbraw/zinc/26/75/85/573267585.db2.gz UGDBPHBCLWMMGT-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC(=O)CN(CC)[C@@H](C)CC 50184133 573267634 /nfs/dbraw/zinc/26/76/34/573267634.db2.gz YCNNUMUKGWSDAK-JTQLQIEISA-N 0 3 185.311 2.476 10 0 AEAEHN CCCC(=O)CN(C)CCC(C)C 50184187 573267803 /nfs/dbraw/zinc/26/78/03/573267803.db2.gz QQQHFSLLYRRXMM-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CCCC(=O)CN1CCC[C@H]1CC 50184175 573267870 /nfs/dbraw/zinc/26/78/70/573267870.db2.gz XLOCBBTUQQXQMB-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCC(CC)Cn1cccc1CN 129279018 573267877 /nfs/dbraw/zinc/26/78/77/573267877.db2.gz HVQCIXRYGDAYBI-UHFFFAOYSA-N 0 3 180.295 2.383 10 0 AEAEHN CC(C)c1cccnc1C(C)(C)N 259063948 573267907 /nfs/dbraw/zinc/26/79/07/573267907.db2.gz BPXJQSDSSVDOON-UHFFFAOYSA-N 0 3 178.279 2.399 10 0 AEAEHN CCCC(=O)CN(CC1CC1)C(C)C 50184230 573268003 /nfs/dbraw/zinc/26/80/03/573268003.db2.gz AFPDILPOJDKJIU-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCC(=O)CN1CCC[C@@H](C)C1 50184099 573268190 /nfs/dbraw/zinc/26/81/90/573268190.db2.gz CRZKTMWSXSHYEG-SNVBAGLBSA-N 0 3 183.295 2.088 10 0 AEAEHN CN[C@@H](C)c1cc(N)ccc1Cl 238327782 573268250 /nfs/dbraw/zinc/26/82/50/573268250.db2.gz MYLMHXLSOWMYJN-LURJTMIESA-N 0 3 184.670 2.203 10 0 AEAEHN CC[C@H](C)[C@@H](N)C(=O)CC(C)(C)C 212789760 573268260 /nfs/dbraw/zinc/26/82/60/573268260.db2.gz LCNFRDXMASEPEW-WCBMZHEXSA-N 0 3 185.311 2.365 10 0 AEAEHN CCCC(=O)CN1CCC(C)CC1 50184087 573268323 /nfs/dbraw/zinc/26/83/23/573268323.db2.gz AFSZFUOEZAAGNI-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CCCC(=O)CN(CC(C)C)C1CC1 50184224 573268497 /nfs/dbraw/zinc/26/84/97/573268497.db2.gz LKHRUYITNLSBPW-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CC1(Oc2cccc(Cl)c2)CNC1 257986318 573268508 /nfs/dbraw/zinc/26/85/08/573268508.db2.gz DXHPHCNFQNLSSR-UHFFFAOYSA-N 0 3 197.665 2.081 10 0 AEAEHN CCCC(=O)CN(CCC)CC1CC1 50184199 573268639 /nfs/dbraw/zinc/26/86/39/573268639.db2.gz PPGHAWAQAFYTGZ-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CCN(C)CCc1cc(F)ccc1F 259063786 573268674 /nfs/dbraw/zinc/26/86/74/573268674.db2.gz LDBXXTNXPNCUES-UHFFFAOYSA-N 0 3 199.244 2.459 10 0 AEAEHN CCCC(=O)CN(C)C[C@H](C)CC 50184137 573268698 /nfs/dbraw/zinc/26/86/98/573268698.db2.gz PUPJBPLYCCEYFX-SNVBAGLBSA-N 0 3 185.311 2.334 10 0 AEAEHN Cc1cccc(CN[C@@H]2CC2(C)C)n1 86136252 573268871 /nfs/dbraw/zinc/26/88/71/573268871.db2.gz QFQXIJUDAIDQKO-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN CN[C@@H](C)c1ccc(C)nc1Cl 238329681 573268950 /nfs/dbraw/zinc/26/89/50/573268950.db2.gz OPONYRTUPLSYRT-ZETCQYMHSA-N 0 3 184.670 2.324 10 0 AEAEHN CCC(=O)CN1CCC[C@H](CC)C1 50179830 573269359 /nfs/dbraw/zinc/26/93/59/573269359.db2.gz KWQDMPAZVDCNIH-JTQLQIEISA-N 0 3 183.295 2.088 10 0 AEAEHN CCC(=O)CN(C)[C@H](C)CC(C)C 50180044 573269444 /nfs/dbraw/zinc/26/94/44/573269444.db2.gz NPITWAUYBLRNFG-SNVBAGLBSA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(=O)CN(C)[C@@H](C)CC(C)C 50180043 573269460 /nfs/dbraw/zinc/26/94/60/573269460.db2.gz NPITWAUYBLRNFG-JTQLQIEISA-N 0 3 185.311 2.332 10 0 AEAEHN CN=c1cc(NC)ss1 238329524 573269506 /nfs/dbraw/zinc/26/95/06/573269506.db2.gz AWSHNQKBTPUCQL-UHFFFAOYSA-N 0 3 161.275 2.174 10 0 AEAEHN CCC(=O)CN1CCCC[C@@H]1CC 50179736 573269690 /nfs/dbraw/zinc/26/96/90/573269690.db2.gz FXONXHAYRKQTCD-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CCNc1ccnc(CSC)c1 86135086 573269937 /nfs/dbraw/zinc/26/99/37/573269937.db2.gz WEVCAIWEHIHSTI-UHFFFAOYSA-N 0 3 182.292 2.376 10 0 AEAEHN CCC(=O)CN(CC(C)C)C1CC1 50180040 573269938 /nfs/dbraw/zinc/26/99/38/573269938.db2.gz KZMPMZNFLWPEBQ-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1ccc(Cl)c([O-])c1C[C@@H](C)[NH3+] 258275220 573270051 /nfs/dbraw/zinc/27/00/51/573270051.db2.gz ZLXJTTWZGYWBEB-SSDOTTSWSA-N 0 3 199.681 2.244 10 0 AEAEHN CCCCN(CC)CC(=O)CC 50179617 573270656 /nfs/dbraw/zinc/27/06/56/573270656.db2.gz FRUMDSBARYJZGF-UHFFFAOYSA-N 0 3 171.284 2.088 10 0 AEAEHN CCC(=O)CN(CC1CC1)C(C)C 50180054 573270513 /nfs/dbraw/zinc/27/05/13/573270513.db2.gz QVVHZBCLDZMEPT-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CCCNC1=N[C@@H](C(C)C)CS1 86126710 573272486 /nfs/dbraw/zinc/27/24/86/573272486.db2.gz HQELMWOWQWXBKG-MRVPVSSYSA-N 0 3 186.324 2.113 10 0 AEAEHN CCC(=O)CN(CC)C1CCCC1 50179792 573272520 /nfs/dbraw/zinc/27/25/20/573272520.db2.gz NFAIJOMJWXWRJZ-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN Cc1cc(/C=C/C[NH3+])cc(Cl)c1[O-] 257987024 573272521 /nfs/dbraw/zinc/27/25/21/573272521.db2.gz FGIOCELFLYRQQV-NSCUHMNNSA-N 0 3 197.665 2.326 10 0 AEAEHN CC[C@@H]1CNCc2c(OC)cccc21 257988618 573272567 /nfs/dbraw/zinc/27/25/67/573272567.db2.gz DJEDBKJCTRXUKX-SECBINFHSA-N 0 3 191.274 2.292 10 0 AEAEHN Cc1cc([C@@H](C)N)c2c(c1C)OCO2 257989298 573272711 /nfs/dbraw/zinc/27/27/11/573272711.db2.gz FIZLZHPPSVTLGY-MRVPVSSYSA-N 0 3 193.246 2.052 10 0 AEAEHN CCC[C@H](C)[C@H](N)c1ccnc(C)n1 233348888 573274993 /nfs/dbraw/zinc/27/49/93/573274993.db2.gz AORYSFXFWVPIKJ-KWQFWETISA-N 0 3 193.294 2.221 10 0 AEAEHN CCCN(CC(=O)CC)CC1CC1 50179963 573275077 /nfs/dbraw/zinc/27/50/77/573275077.db2.gz VAHXPQVTJMMXHB-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CCC[C@@H](C(C)C)N1CCC(=O)CC1 74238791 573279865 /nfs/dbraw/zinc/27/98/65/573279865.db2.gz ALHCORKAWHQODK-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CCc1cc(F)cc2c1[C@H](N)CCO2 238330314 573278429 /nfs/dbraw/zinc/27/84/29/573278429.db2.gz NTUZJDFCOPGZFS-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN CN[C@H](C)c1cc(Cl)ncc1F 238330996 573278543 /nfs/dbraw/zinc/27/85/43/573278543.db2.gz JZAJFGPLWHSBIJ-RXMQYKEDSA-N 0 3 188.633 2.155 10 0 AEAEHN CN[C@H](C)c1cc(Cl)cnc1F 238330919 573278604 /nfs/dbraw/zinc/27/86/04/573278604.db2.gz ZIZXRIWFNQJSRT-RXMQYKEDSA-N 0 3 188.633 2.155 10 0 AEAEHN COc1c(C)ccc(SC)c1CN 257991494 573279342 /nfs/dbraw/zinc/27/93/42/573279342.db2.gz FRIZYFYOGQJZNF-UHFFFAOYSA-N 0 3 197.303 2.184 10 0 AEAEHN [NH3+]C/C=C/c1ccc([O-])cc1Cl 257991443 573279692 /nfs/dbraw/zinc/27/96/92/573279692.db2.gz FQFFVYKGXMXYBX-OWOJBTEDSA-N 0 3 183.638 2.018 10 0 AEAEHN CC1Oc2cc3c(cc2C1=O)CCC3 105738259 573279791 /nfs/dbraw/zinc/27/97/91/573279791.db2.gz GSJIIZXZZBFONA-SSDOTTSWSA-N 0 3 188.226 2.139 10 0 AEAEHN Cc1cc(CN(C)C)c2ccccn12 238330447 573279891 /nfs/dbraw/zinc/27/98/91/573279891.db2.gz LTZHCKFQGDOOBW-UHFFFAOYSA-N 0 3 188.274 2.309 10 0 AEAEHN CCCC(C)(C)NCc1ccncn1 126044001 573280248 /nfs/dbraw/zinc/28/02/48/573280248.db2.gz CSFYFSXWBDTHRA-UHFFFAOYSA-N 0 3 193.294 2.145 10 0 AEAEHN CCOc1cccc2c1OC(C)C2=O 105738280 573280540 /nfs/dbraw/zinc/28/05/40/573280540.db2.gz JHHSVHOLASZHRS-SSDOTTSWSA-N 0 3 192.214 2.049 10 0 AEAEHN c1ncc(CN2CCCCCC2)o1 258276614 573281370 /nfs/dbraw/zinc/28/13/70/573281370.db2.gz SXNIGTYHFLAXQP-UHFFFAOYSA-N 0 3 180.251 2.051 10 0 AEAEHN CN(C)Cc1ccn2ccccc12 238333203 573282190 /nfs/dbraw/zinc/28/21/90/573282190.db2.gz DUNPHONTJGYDFR-UHFFFAOYSA-N 0 3 174.247 2.001 10 0 AEAEHN CNCc1ncc(C)c2sccc12 238332563 573282297 /nfs/dbraw/zinc/28/22/97/573282297.db2.gz WIYJSFZAMYVRPK-UHFFFAOYSA-N 0 3 192.287 2.324 10 0 AEAEHN Cn1cnc([C@@H](N)CC2CCCC2)c1 236092408 573282562 /nfs/dbraw/zinc/28/25/62/573282562.db2.gz XBXWBBFOSLFQAW-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN CN[C@H](C)c1cc(F)cnc1Cl 238332050 573283013 /nfs/dbraw/zinc/28/30/13/573283013.db2.gz JNRDYKQZWAAZIQ-RXMQYKEDSA-N 0 3 188.633 2.155 10 0 AEAEHN CNCc1nc(C)cc2sccc12 238332266 573283103 /nfs/dbraw/zinc/28/31/03/573283103.db2.gz FKLYPYLKHWJGQL-UHFFFAOYSA-N 0 3 192.287 2.324 10 0 AEAEHN CCNCc1cn(C)nc1[C@H](C)CC 308539607 573283225 /nfs/dbraw/zinc/28/32/25/573283225.db2.gz MIZSNERLTXADNJ-SECBINFHSA-N 0 3 195.310 2.043 10 0 AEAEHN CCNCc1cn(C)nc1[C@@H](C)CC 308539608 573283460 /nfs/dbraw/zinc/28/34/60/573283460.db2.gz MIZSNERLTXADNJ-VIFPVBQESA-N 0 3 195.310 2.043 10 0 AEAEHN CNCc1nc(C)cc2ccsc12 238332223 573284300 /nfs/dbraw/zinc/28/43/00/573284300.db2.gz SJJVHWVHWHOCMP-UHFFFAOYSA-N 0 3 192.287 2.324 10 0 AEAEHN C[C@H](N)c1csc(-c2ccc[nH]2)n1 259402363 573284909 /nfs/dbraw/zinc/28/49/09/573284909.db2.gz TZCMUXPMHWIHAM-LURJTMIESA-N 0 3 193.275 2.158 10 0 AEAEHN CN(C)C[C@H]1CSc2ccccc21 86189789 573285874 /nfs/dbraw/zinc/28/58/74/573285874.db2.gz TTXXJPIIGZGFRS-VIFPVBQESA-N 0 3 193.315 2.438 10 0 AEAEHN CNCc1cc(C)c(C2CC2)c(C)n1 238334897 573286613 /nfs/dbraw/zinc/28/66/13/573286613.db2.gz WBODQTQICPKFDF-UHFFFAOYSA-N 0 3 190.290 2.295 10 0 AEAEHN Cn1cncc1[C@H](N)CC1CCCC1 74247553 573286615 /nfs/dbraw/zinc/28/66/15/573286615.db2.gz ZMQSFPRUVKYMJG-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN Cn1cnc([C@H](N)CC2CCCC2)c1 236101409 573286891 /nfs/dbraw/zinc/28/68/91/573286891.db2.gz XBXWBBFOSLFQAW-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN CN[C@H](C)C(=O)C[C@H]1CCC[C@@H](C)C1 308541515 573287005 /nfs/dbraw/zinc/28/70/05/573287005.db2.gz UDWNWLTYBXUBTR-MXWKQRLJSA-N 0 3 197.322 2.380 10 0 AEAEHN C=Cc1ccnc([C@H](C)NC)c1 238324557 573287070 /nfs/dbraw/zinc/28/70/70/573287070.db2.gz ADKVRZRIUXWRSN-QMMMGPOBSA-N 0 3 162.236 2.005 10 0 AEAEHN CNCc1cc(Cl)c(Cl)cn1 238324567 573287334 /nfs/dbraw/zinc/28/73/34/573287334.db2.gz CVHPFEYGFWBEBD-UHFFFAOYSA-N 0 3 191.061 2.108 10 0 AEAEHN CN[C@H](C)c1ccc(C)nc1Cl 238333701 573287351 /nfs/dbraw/zinc/28/73/51/573287351.db2.gz OPONYRTUPLSYRT-SSDOTTSWSA-N 0 3 184.670 2.324 10 0 AEAEHN Cn1cncc1[C@@H](N)CC1CCCC1 74247554 573287408 /nfs/dbraw/zinc/28/74/08/573287408.db2.gz ZMQSFPRUVKYMJG-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN Cn1cnc([C@H](N)C2CCCCC2)c1 236101361 573287485 /nfs/dbraw/zinc/28/74/85/573287485.db2.gz XNNQXJWICFYZIT-LLVKDONJSA-N 0 3 193.294 2.000 10 0 AEAEHN Cn1ccc([C@H](N)CC2CCCC2)n1 74247547 573287589 /nfs/dbraw/zinc/28/75/89/573287589.db2.gz ABCPSSKQMAFEIV-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN CCCN[C@@H](C)c1c[nH]c(C2CC2)n1 308541692 573287684 /nfs/dbraw/zinc/28/76/84/573287684.db2.gz MUVHVSYVMCXRRN-QMMMGPOBSA-N 0 3 193.294 2.348 10 0 AEAEHN Cn1ccc([C@@H](N)CC2CCCC2)n1 74247548 573287829 /nfs/dbraw/zinc/28/78/29/573287829.db2.gz ABCPSSKQMAFEIV-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN N[C@H](CC1CCCCC1)c1ncc[nH]1 74247535 573287851 /nfs/dbraw/zinc/28/78/51/573287851.db2.gz CJRKNAKEBJWAHU-SNVBAGLBSA-N 0 3 193.294 2.380 10 0 AEAEHN CN(C)C[C@@H]1CSc2ccccc21 86189787 573287915 /nfs/dbraw/zinc/28/79/15/573287915.db2.gz TTXXJPIIGZGFRS-SECBINFHSA-N 0 3 193.315 2.438 10 0 AEAEHN CCN[C@@H](CCOC)c1ccc(C)o1 308541626 573287950 /nfs/dbraw/zinc/28/79/50/573287950.db2.gz UTGHQSLNRGAWDN-JTQLQIEISA-N 0 3 197.278 2.275 10 0 AEAEHN CN(C)C[C@@H]1Cc2ccccc2S1 86189783 573288579 /nfs/dbraw/zinc/28/85/79/573288579.db2.gz QXHLFAKILLVPNQ-JTQLQIEISA-N 0 3 193.315 2.265 10 0 AEAEHN CCCC[C@@H](C)NC1=NCCS1 50889877 573288599 /nfs/dbraw/zinc/28/85/99/573288599.db2.gz BCFDPWRGXFLKOZ-MRVPVSSYSA-N 0 3 186.324 2.258 10 0 AEAEHN COCNCC(C)(C)c1cccs1 259068803 573288823 /nfs/dbraw/zinc/28/88/23/573288823.db2.gz LMLHGRJVXXFKSF-UHFFFAOYSA-N 0 3 199.319 2.219 10 0 AEAEHN Cn1cccc1CNCC1(F)CCC1 308541177 573288961 /nfs/dbraw/zinc/28/89/61/573288961.db2.gz JOVOUNRLJABSIP-UHFFFAOYSA-N 0 3 196.269 2.007 10 0 AEAEHN C[C@H](N)c1cc(-c2cccs2)n[nH]1 74247794 573289226 /nfs/dbraw/zinc/28/92/26/573289226.db2.gz ACFKIHYRJIAFJP-LURJTMIESA-N 0 3 193.275 2.158 10 0 AEAEHN CN(C)C[C@H]1Cc2ccccc2S1 86189785 573289341 /nfs/dbraw/zinc/28/93/41/573289341.db2.gz QXHLFAKILLVPNQ-SNVBAGLBSA-N 0 3 193.315 2.265 10 0 AEAEHN CNc1ccc(Cl)cc1[C@H](C)N 238334175 573289439 /nfs/dbraw/zinc/28/94/39/573289439.db2.gz KTCRPLPCJXEVDJ-LURJTMIESA-N 0 3 184.670 2.401 10 0 AEAEHN CN[C@H](C)C(=O)C[C@@H]1CCC[C@@H](C)C1 308541513 573290501 /nfs/dbraw/zinc/29/05/01/573290501.db2.gz UDWNWLTYBXUBTR-GMTAPVOTSA-N 0 3 197.322 2.380 10 0 AEAEHN N[C@@H](CC1CCCCC1)c1ncc[nH]1 74247536 573290323 /nfs/dbraw/zinc/29/03/23/573290323.db2.gz CJRKNAKEBJWAHU-JTQLQIEISA-N 0 3 193.294 2.380 10 0 AEAEHN CCCOc1ccccc1[C@H](F)CN 132352926 573290445 /nfs/dbraw/zinc/29/04/45/573290445.db2.gz AXDVWLUARYUGCL-SNVBAGLBSA-N 0 3 197.253 2.445 10 0 AEAEHN CCN[C@H](CCOC)c1ccc(C)o1 308541627 573291097 /nfs/dbraw/zinc/29/10/97/573291097.db2.gz UTGHQSLNRGAWDN-SNVBAGLBSA-N 0 3 197.278 2.275 10 0 AEAEHN CN[C@@H](C)c1ccnc(Cl)c1F 238335100 573292306 /nfs/dbraw/zinc/29/23/06/573292306.db2.gz KJBJQAOPWABWLS-YFKPBYRVSA-N 0 3 188.633 2.155 10 0 AEAEHN CSC[C@H]1CNCc2ccccc21 258284927 573292933 /nfs/dbraw/zinc/29/29/33/573292933.db2.gz VJMCCXCLRYHDRX-SNVBAGLBSA-N 0 3 193.315 2.236 10 0 AEAEHN CNCc1cc(Cl)cnc1Cl 238324883 573292960 /nfs/dbraw/zinc/29/29/60/573292960.db2.gz IEPIUUDSUJZPBZ-UHFFFAOYSA-N 0 3 191.061 2.108 10 0 AEAEHN CN(C)Cc1ccc2cc[nH]c2c1 238335278 573293070 /nfs/dbraw/zinc/29/30/70/573293070.db2.gz BWUOVGJKNFEBFE-UHFFFAOYSA-N 0 3 174.247 2.230 10 0 AEAEHN CN[C@@H](C)c1cc(Cl)cnc1F 238325326 573293093 /nfs/dbraw/zinc/29/30/93/573293093.db2.gz ZIZXRIWFNQJSRT-YFKPBYRVSA-N 0 3 188.633 2.155 10 0 AEAEHN CCn1c(C)cnc1NC1CCC1 257995900 573293128 /nfs/dbraw/zinc/29/31/28/573293128.db2.gz BPXLZCBARPSLOX-UHFFFAOYSA-N 0 3 179.267 2.176 10 0 AEAEHN CSC[C@@H]1CNCc2ccccc21 258284924 573293318 /nfs/dbraw/zinc/29/33/18/573293318.db2.gz VJMCCXCLRYHDRX-JTQLQIEISA-N 0 3 193.315 2.236 10 0 AEAEHN NCc1cnc2cc(Cl)sc2c1 257997080 573294999 /nfs/dbraw/zinc/29/49/99/573294999.db2.gz LLCKWVSEFZJPFA-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN CN[C@H](C)c1cccc(Cl)n1 238336387 573296245 /nfs/dbraw/zinc/29/62/45/573296245.db2.gz LAQHZLMFYWRGCN-ZCFIWIBFSA-N 0 3 170.643 2.015 10 0 AEAEHN CCc1cc(O)cc(C)c1CN(C)C 238335955 573297469 /nfs/dbraw/zinc/29/74/69/573297469.db2.gz LXRGFDWIUCVFIF-UHFFFAOYSA-N 0 3 193.290 2.325 10 0 AEAEHN Cc1ccc(F)c2c1[C@@H](N)CCCO2 82939361 573300623 /nfs/dbraw/zinc/30/06/23/573300623.db2.gz SJPHCSFDXSSZQE-VIFPVBQESA-N 0 3 195.237 2.307 10 0 AEAEHN CCN[C@H]1COc2c(F)ccc(C)c21 82939415 573299521 /nfs/dbraw/zinc/29/95/21/573299521.db2.gz LFTOXJBOXOUQQI-VIFPVBQESA-N 0 3 195.237 2.177 10 0 AEAEHN C[C@H](C[C@H](O)N(C)C)CC(C)(C)C 238451366 573299934 /nfs/dbraw/zinc/29/99/34/573299934.db2.gz LSDRDAPXMMYDGI-ZJUUUORDSA-N 0 3 187.327 2.329 10 0 AEAEHN Cc1cc([C@H](N)COC(C)C)c(C)o1 132478507 573299989 /nfs/dbraw/zinc/29/99/89/573299989.db2.gz BORPEBDDKSPLJQ-LLVKDONJSA-N 0 3 197.278 2.321 10 0 AEAEHN Cc1ccc(F)c2c1[C@H](N)CCCO2 82939360 573300166 /nfs/dbraw/zinc/30/01/66/573300166.db2.gz SJPHCSFDXSSZQE-SECBINFHSA-N 0 3 195.237 2.307 10 0 AEAEHN CN[C@@H](C)c1cnc(F)c(Cl)c1 238335644 573300174 /nfs/dbraw/zinc/30/01/74/573300174.db2.gz CFCQRXWLOWTXJG-YFKPBYRVSA-N 0 3 188.633 2.155 10 0 AEAEHN CN[C@@H](C)c1cnc(C)cc1Cl 238335410 573300731 /nfs/dbraw/zinc/30/07/31/573300731.db2.gz CSAFTEUYNMYRRM-ZETCQYMHSA-N 0 3 184.670 2.324 10 0 AEAEHN CCC1Oc2c(F)ccc(C)c2C1=O 82939355 573301640 /nfs/dbraw/zinc/30/16/40/573301640.db2.gz RJRWAPXXRGZMBC-MRVPVSSYSA-N 0 3 194.205 2.488 10 0 AEAEHN CN[C@H](COC(C)C)c1coc(C)c1 132413784 573301665 /nfs/dbraw/zinc/30/16/65/573301665.db2.gz MRGVUSJARBZPCT-LLVKDONJSA-N 0 3 197.278 2.274 10 0 AEAEHN Cc1ccccc1-c1oncc1CN 74277839 573301692 /nfs/dbraw/zinc/30/16/92/573301692.db2.gz ZEVZUIUESFHDMS-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CN[C@H]1c2c(C)ccc(F)c2O[C@H]1C 82939366 573302012 /nfs/dbraw/zinc/30/20/12/573302012.db2.gz STPDKUGBUDOYDS-OIBJUYFYSA-N 0 3 195.237 2.176 10 0 AEAEHN COCNCc1c(C)cc(C)cc1C 259074267 573302047 /nfs/dbraw/zinc/30/20/47/573302047.db2.gz LZYRVUOTOVTIJZ-UHFFFAOYSA-N 0 3 193.290 2.305 10 0 AEAEHN CN[C@H](C)c1cnc(Cl)c(C)c1 238338785 573303633 /nfs/dbraw/zinc/30/36/33/573303633.db2.gz NPHXCJVFLAJLIQ-SSDOTTSWSA-N 0 3 184.670 2.324 10 0 AEAEHN Cc1nc2c(n1C(C)(C)C)NCCC2 106488916 573303650 /nfs/dbraw/zinc/30/36/50/573303650.db2.gz VZHIJIRLSIUIBN-UHFFFAOYSA-N 0 3 193.294 2.305 10 0 AEAEHN CC[C@@H](N[C@@H](C)CCO)c1ccco1 132481292 573303740 /nfs/dbraw/zinc/30/37/40/573303740.db2.gz KYEFAFVUHXSTLK-VHSXEESVSA-N 0 3 197.278 2.091 10 0 AEAEHN CN[C@H]1CCOc2c(F)ccc(C)c21 82939363 573303961 /nfs/dbraw/zinc/30/39/61/573303961.db2.gz SWFRXYPDXBWKRF-VIFPVBQESA-N 0 3 195.237 2.177 10 0 AEAEHN CCN[C@@H]1COc2c(F)ccc(C)c21 82939413 573304019 /nfs/dbraw/zinc/30/40/19/573304019.db2.gz LFTOXJBOXOUQQI-SECBINFHSA-N 0 3 195.237 2.177 10 0 AEAEHN CC[C@H]1Oc2c(F)ccc(C)c2[C@@H]1N 82939372 573304036 /nfs/dbraw/zinc/30/40/36/573304036.db2.gz KYKKATNFHLZLLU-PSASIEDQSA-N 0 3 195.237 2.305 10 0 AEAEHN Cc1ccc(C(C)(C)C)cc1[C@H](N)O 259408932 573304124 /nfs/dbraw/zinc/30/41/24/573304124.db2.gz MCOCVFDWCZOLRH-LLVKDONJSA-N 0 3 193.290 2.242 10 0 AEAEHN C[C@@H]1C[C@@H](c2ccc(F)cc2F)N1 259075928 573304394 /nfs/dbraw/zinc/30/43/94/573304394.db2.gz FPGMSWCJZRJQPT-LDWIPMOCSA-N 0 3 183.201 2.388 10 0 AEAEHN Cc1ccc(F)c2c1C(=O)C(C)O2 82939354 573304428 /nfs/dbraw/zinc/30/44/28/573304428.db2.gz PMCGKLOGUGWQLK-LURJTMIESA-N 0 3 180.178 2.098 10 0 AEAEHN F[C@@H](Cc1ccco1)[C@H]1CCCCN1 236140396 573304442 /nfs/dbraw/zinc/30/44/42/573304442.db2.gz UEYAIQIZVPYMHX-WDEREUQCSA-N 0 3 197.253 2.302 10 0 AEAEHN Cc1ncsc1[C@@H](N)CC1CC1 74300062 573304460 /nfs/dbraw/zinc/30/44/60/573304460.db2.gz GKJXLHWDPXBCFA-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1ccsc1[C@@H](N)COC(C)C 132490834 573304456 /nfs/dbraw/zinc/30/44/56/573304456.db2.gz XAOFMAZKTNCOHV-VIFPVBQESA-N 0 3 199.319 2.481 10 0 AEAEHN CCCc1cccc2c1OCC[C@H]2N 211649563 573304480 /nfs/dbraw/zinc/30/44/80/573304480.db2.gz GWBKUTVPGBOEPE-LLVKDONJSA-N 0 3 191.274 2.421 10 0 AEAEHN CC[C@H](N[C@H](C)CCO)c1ccco1 132481500 573304845 /nfs/dbraw/zinc/30/48/45/573304845.db2.gz KYEFAFVUHXSTLK-ZJUUUORDSA-N 0 3 197.278 2.091 10 0 AEAEHN F[C@@H](Cc1ccco1)[C@@H]1CCCCN1 236140367 573305254 /nfs/dbraw/zinc/30/52/54/573305254.db2.gz UEYAIQIZVPYMHX-QWRGUYRKSA-N 0 3 197.253 2.302 10 0 AEAEHN F[C@H](C1=CCCCO1)[C@H]1CCCCN1 236144919 573305293 /nfs/dbraw/zinc/30/52/93/573305293.db2.gz IHETWQWWALLCNX-KOLCDFICSA-N 0 3 199.269 2.161 10 0 AEAEHN Cc1cc(C)nc(CNCC2CC2)c1 308544405 573305324 /nfs/dbraw/zinc/30/53/24/573305324.db2.gz NPCLBYQMJQAPFQ-UHFFFAOYSA-N 0 3 190.290 2.198 10 0 AEAEHN F[C@H](C1=CCCCO1)[C@@H]1CCCCN1 236141741 573305771 /nfs/dbraw/zinc/30/57/71/573305771.db2.gz IHETWQWWALLCNX-ONGXEEELSA-N 0 3 199.269 2.161 10 0 AEAEHN CCCC(C)(C)NCc1cnco1 126066354 573305469 /nfs/dbraw/zinc/30/54/69/573305469.db2.gz CTQVJMHNFGYATD-UHFFFAOYSA-N 0 3 182.267 2.343 10 0 AEAEHN CC[C@H]1Oc2c(F)ccc(C)c2[C@H]1N 82939370 573306375 /nfs/dbraw/zinc/30/63/75/573306375.db2.gz KYKKATNFHLZLLU-SCZZXKLOSA-N 0 3 195.237 2.305 10 0 AEAEHN Cc1ccc(C(C)(C)C)cc1[C@@H](N)O 259408936 573306531 /nfs/dbraw/zinc/30/65/31/573306531.db2.gz MCOCVFDWCZOLRH-NSHDSACASA-N 0 3 193.290 2.242 10 0 AEAEHN C[C@H]1C[C@@H](c2ccc(F)cc2F)N1 259075934 573306702 /nfs/dbraw/zinc/30/67/02/573306702.db2.gz FPGMSWCJZRJQPT-WKEGUHRASA-N 0 3 183.201 2.388 10 0 AEAEHN NC1(C(=O)C2CCCC2)CCCC1 74301560 573306929 /nfs/dbraw/zinc/30/69/29/573306929.db2.gz NEKQEBDSMBWXNK-UHFFFAOYSA-N 0 3 181.279 2.017 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1ccccc1OC 86201869 573307058 /nfs/dbraw/zinc/30/70/58/573307058.db2.gz GAOLOVPBPBRTPE-CABZTGNLSA-N 0 3 191.274 2.279 10 0 AEAEHN Cc1ncsc1[C@H](N)CC1CC1 74300060 573307685 /nfs/dbraw/zinc/30/76/85/573307685.db2.gz GKJXLHWDPXBCFA-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1ccccc1OC 86201866 573307726 /nfs/dbraw/zinc/30/77/26/573307726.db2.gz GAOLOVPBPBRTPE-JOYOIKCWSA-N 0 3 191.274 2.279 10 0 AEAEHN Cc1cc([C@H](N)COC(C)C)co1 132449520 573307862 /nfs/dbraw/zinc/30/78/62/573307862.db2.gz RAAYDNAKJHHCKP-SNVBAGLBSA-N 0 3 183.251 2.013 10 0 AEAEHN C[C@@H]1C[C@H](c2ccc(F)cc2F)N1 259075930 573307948 /nfs/dbraw/zinc/30/79/48/573307948.db2.gz FPGMSWCJZRJQPT-LHLIQPBNSA-N 0 3 183.201 2.388 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1cccs1 86202369 573309788 /nfs/dbraw/zinc/30/97/88/573309788.db2.gz YLZUWPZGLCAAMY-VXNVDRBHSA-N 0 3 167.277 2.332 10 0 AEAEHN CC(C)C(C)(C)N[C@@H](C)c1ncc[nH]1 308544205 573308801 /nfs/dbraw/zinc/30/88/01/573308801.db2.gz VKOBDNRWPXLZQU-VIFPVBQESA-N 0 3 195.310 2.495 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1ccccc1OC 86201867 573308937 /nfs/dbraw/zinc/30/89/37/573308937.db2.gz GAOLOVPBPBRTPE-SKDRFNHKSA-N 0 3 191.274 2.279 10 0 AEAEHN F[C@H](c1cccnc1)[C@H]1CCCCN1 236145297 573309149 /nfs/dbraw/zinc/30/91/49/573309149.db2.gz AWLAAWLXUSPOGQ-GHMZBOCLSA-N 0 3 194.253 2.234 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1cccs1 86202371 573309150 /nfs/dbraw/zinc/30/91/50/573309150.db2.gz YLZUWPZGLCAAMY-IONNQARKSA-N 0 3 167.277 2.332 10 0 AEAEHN CCCC[N@H+](C)Cc1ccc([O-])cn1 132425136 573309350 /nfs/dbraw/zinc/30/93/50/573309350.db2.gz PJLBBTSKEOSHNA-UHFFFAOYSA-N 0 3 194.278 2.019 10 0 AEAEHN CCCC[N@@H+](C)Cc1ccc([O-])cn1 132425136 573309358 /nfs/dbraw/zinc/30/93/58/573309358.db2.gz PJLBBTSKEOSHNA-UHFFFAOYSA-N 0 3 194.278 2.019 10 0 AEAEHN CCCCN(C)Cc1ccc(O)cn1 132425136 573309365 /nfs/dbraw/zinc/30/93/65/573309365.db2.gz PJLBBTSKEOSHNA-UHFFFAOYSA-N 0 3 194.278 2.019 10 0 AEAEHN Cc1cc([C@@H](N)COC(C)C)co1 132449708 573309448 /nfs/dbraw/zinc/30/94/48/573309448.db2.gz RAAYDNAKJHHCKP-JTQLQIEISA-N 0 3 183.251 2.013 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1ccccc1OC 86201863 573309517 /nfs/dbraw/zinc/30/95/17/573309517.db2.gz GAOLOVPBPBRTPE-BXKDBHETSA-N 0 3 191.274 2.279 10 0 AEAEHN F[C@@H](Cc1ccoc1)[C@@H]1CCCCN1 236140599 573309611 /nfs/dbraw/zinc/30/96/11/573309611.db2.gz HOLRJNCCYWLDFV-QWRGUYRKSA-N 0 3 197.253 2.302 10 0 AEAEHN CCC(=O)[C@H](C)N1C[C@@H](C)C[C@@H](C)C1 82946694 573309649 /nfs/dbraw/zinc/30/96/49/573309649.db2.gz MRUQMUAHAJCJRQ-AXFHLTTASA-N 0 3 197.322 2.332 10 0 AEAEHN COc1cc(F)c(C)cc1[C@H](C)N 238346385 573311009 /nfs/dbraw/zinc/31/10/09/573311009.db2.gz XJWAGRVJIJEDCQ-ZETCQYMHSA-N 0 3 183.226 2.162 10 0 AEAEHN COc1ccc(F)cc1[C@H]1NC[C@@H]1C 259414046 573310678 /nfs/dbraw/zinc/31/06/78/573310678.db2.gz ZOPWLXWXRFDXRT-CPCISQLKSA-N 0 3 195.237 2.115 10 0 AEAEHN Cc1ccc(C[C@@H](C)NCCF)cc1 238458083 573310689 /nfs/dbraw/zinc/31/06/89/573310689.db2.gz OFJUJVJJLLGHQS-LLVKDONJSA-N 0 3 195.281 2.485 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1ccco1 86204257 573311105 /nfs/dbraw/zinc/31/11/05/573311105.db2.gz QVKJBCCRIATBTI-SCZZXKLOSA-N 0 3 165.236 2.254 10 0 AEAEHN CC[C@@H](C)[N@H+](C)Cc1ccc([O-])cn1 132511795 573311172 /nfs/dbraw/zinc/31/11/72/573311172.db2.gz NADKKBARIPQXNE-SECBINFHSA-N 0 3 194.278 2.018 10 0 AEAEHN CC[C@@H](C)[N@@H+](C)Cc1ccc([O-])cn1 132511795 573311179 /nfs/dbraw/zinc/31/11/79/573311179.db2.gz NADKKBARIPQXNE-SECBINFHSA-N 0 3 194.278 2.018 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1ccoc1 86206077 573311307 /nfs/dbraw/zinc/31/13/07/573311307.db2.gz UJASCTAJEFFNAF-WCBMZHEXSA-N 0 3 165.236 2.254 10 0 AEAEHN CCC(=O)[C@@H](C)N1C[C@@H](C)C[C@@H](C)C1 82946691 573311317 /nfs/dbraw/zinc/31/13/17/573311317.db2.gz MRUQMUAHAJCJRQ-OUAUKWLOSA-N 0 3 197.322 2.332 10 0 AEAEHN COc1ccc(F)cc1[C@H]1NC[C@H]1C 259414049 573311533 /nfs/dbraw/zinc/31/15/33/573311533.db2.gz ZOPWLXWXRFDXRT-HQJQHLMTSA-N 0 3 195.237 2.115 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1ccccn1 86204352 573311578 /nfs/dbraw/zinc/31/15/78/573311578.db2.gz WNIKUUSOJYZRRW-KOLCDFICSA-N 0 3 176.263 2.056 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1ncccc1C 86204877 573311630 /nfs/dbraw/zinc/31/16/30/573311630.db2.gz UWZYZASCAJJSIW-ZYHUDNBSSA-N 0 3 190.290 2.364 10 0 AEAEHN CCn1cnc([C@H](N)CCC(C)C)c1 308546860 573311634 /nfs/dbraw/zinc/31/16/34/573311634.db2.gz OFTBIQCWXIPQGG-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1ccco1 86204259 573312653 /nfs/dbraw/zinc/31/26/53/573312653.db2.gz QVKJBCCRIATBTI-WPRPVWTQSA-N 0 3 165.236 2.254 10 0 AEAEHN CCn1cnc([C@@H](N)CCC(C)C)c1 308546858 573312554 /nfs/dbraw/zinc/31/25/54/573312554.db2.gz OFTBIQCWXIPQGG-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1cccc(C)n1 86204424 573312607 /nfs/dbraw/zinc/31/26/07/573312607.db2.gz OKMLUFGPJWDZNN-CMPLNLGQSA-N 0 3 190.290 2.364 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC[C@H](C)[C@@H]1C 82947633 573315700 /nfs/dbraw/zinc/31/57/00/573315700.db2.gz USOANBNRZRLTMV-DCAQKATOSA-N 0 3 197.322 2.474 10 0 AEAEHN [NH3+]C1(c2cc([O-])ccc2Cl)CCC1 258003685 573315996 /nfs/dbraw/zinc/31/59/96/573315996.db2.gz GQGLAYOVRRLCRN-UHFFFAOYSA-N 0 3 197.665 2.384 10 0 AEAEHN Cc1nc([C@@H](N)C(C)C)cs1 74310852 573315184 /nfs/dbraw/zinc/31/51/84/573315184.db2.gz FFPVXQHCSGAMOO-QMMMGPOBSA-N 0 3 170.281 2.107 10 0 AEAEHN CC[C@@H](N)c1sc(C)nc1C 74310839 573315327 /nfs/dbraw/zinc/31/53/27/573315327.db2.gz RIMPAIJZXFCGGB-SSDOTTSWSA-N 0 3 170.281 2.170 10 0 AEAEHN Cc1ncsc1[C@H](N)C(C)C 74310747 573315404 /nfs/dbraw/zinc/31/54/04/573315404.db2.gz LBQMMVMZAIFLQP-SSDOTTSWSA-N 0 3 170.281 2.107 10 0 AEAEHN CC(C)CO[C@H](CN)c1cccs1 43109320 573316936 /nfs/dbraw/zinc/31/69/36/573316936.db2.gz SUHQNMKAGLDMHL-SECBINFHSA-N 0 3 199.319 2.421 10 0 AEAEHN CCC[C@H](C)n1cc(C)c(CNC)n1 308551822 573315764 /nfs/dbraw/zinc/31/57/64/573315764.db2.gz SGOMLZFTKGAQAF-JTQLQIEISA-N 0 3 195.310 2.272 10 0 AEAEHN F[C@H](c1cccnc1)[C@@H]1CCCCN1 236142542 573315845 /nfs/dbraw/zinc/31/58/45/573315845.db2.gz AWLAAWLXUSPOGQ-WDEREUQCSA-N 0 3 194.253 2.234 10 0 AEAEHN COCNCCc1cc(C)ccc1C 259084418 573315872 /nfs/dbraw/zinc/31/58/72/573315872.db2.gz MXMQSVMUJJNNNH-UHFFFAOYSA-N 0 3 193.290 2.039 10 0 AEAEHN CCc1nc([C@@H](N)CC)cs1 74310856 573315911 /nfs/dbraw/zinc/31/59/11/573315911.db2.gz MSJOXXZGXOTAGS-LURJTMIESA-N 0 3 170.281 2.115 10 0 AEAEHN CCC(=O)[C@H](C)N1CCCC(C)(C)C1 82947826 573316154 /nfs/dbraw/zinc/31/61/54/573316154.db2.gz WYQPEDWFLXOPFW-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN COc1ccc(F)cc1[C@@H]1NC[C@H]1C 259414052 573316280 /nfs/dbraw/zinc/31/62/80/573316280.db2.gz ZOPWLXWXRFDXRT-RDDDGLTNSA-N 0 3 195.237 2.115 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCCCCC1 82953507 573316549 /nfs/dbraw/zinc/31/65/49/573316549.db2.gz YKUFMHYHWWRBKN-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCc1nc([C@H](N)CC)cs1 74310853 573316847 /nfs/dbraw/zinc/31/68/47/573316847.db2.gz MSJOXXZGXOTAGS-ZCFIWIBFSA-N 0 3 170.281 2.115 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCCC[C@@H]1C 82946727 573317047 /nfs/dbraw/zinc/31/70/47/573317047.db2.gz DTFVTDOTFJWZSO-VHSXEESVSA-N 0 3 183.295 2.228 10 0 AEAEHN COc1cscc1[C@H](N)C1CC1 238351098 573317100 /nfs/dbraw/zinc/31/71/00/573317100.db2.gz APJQQVIPFWMPAW-SECBINFHSA-N 0 3 183.276 2.167 10 0 AEAEHN CC[N@H+](Cc1ccc([O-])cn1)C(C)C 132565469 573317282 /nfs/dbraw/zinc/31/72/82/573317282.db2.gz VIRPADQTGCJBNF-UHFFFAOYSA-N 0 3 194.278 2.018 10 0 AEAEHN CC[N@@H+](Cc1ccc([O-])cn1)C(C)C 132565469 573317288 /nfs/dbraw/zinc/31/72/88/573317288.db2.gz VIRPADQTGCJBNF-UHFFFAOYSA-N 0 3 194.278 2.018 10 0 AEAEHN Cc1ncsc1[C@@H](N)C(C)C 74310749 573317297 /nfs/dbraw/zinc/31/72/97/573317297.db2.gz LBQMMVMZAIFLQP-ZETCQYMHSA-N 0 3 170.281 2.107 10 0 AEAEHN COc1cscc1[C@H](N)C(C)C 238351056 573317312 /nfs/dbraw/zinc/31/73/12/573317312.db2.gz SDRYAJXRXMDVED-SECBINFHSA-N 0 3 185.292 2.413 10 0 AEAEHN Cc1nc([C@H](N)C(C)C)cs1 74310850 573317356 /nfs/dbraw/zinc/31/73/56/573317356.db2.gz FFPVXQHCSGAMOO-MRVPVSSYSA-N 0 3 170.281 2.107 10 0 AEAEHN CCC(=O)[C@H](C)N1CCCC[C@@H]1C 82946729 573317383 /nfs/dbraw/zinc/31/73/83/573317383.db2.gz DTFVTDOTFJWZSO-UWVGGRQHSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC(=O)[C@@H](C)N(CC)C(C)C 82946791 573317408 /nfs/dbraw/zinc/31/74/08/573317408.db2.gz OYQLGZAKHNMIQF-SECBINFHSA-N 0 3 171.284 2.084 10 0 AEAEHN C[NH2+]C(C)(C)Cc1ccc([O-])cc1F 106874463 573321564 /nfs/dbraw/zinc/32/15/64/573321564.db2.gz JDGKJJDUVSEALZ-UHFFFAOYSA-N 0 3 197.253 2.072 10 0 AEAEHN F[C@H](Cc1ccco1)[C@H]1CCCCN1 236159391 573317780 /nfs/dbraw/zinc/31/77/80/573317780.db2.gz UEYAIQIZVPYMHX-GHMZBOCLSA-N 0 3 197.253 2.302 10 0 AEAEHN CCC[N@H+](CC)Cc1ccc([O-])cn1 132551169 573318087 /nfs/dbraw/zinc/31/80/87/573318087.db2.gz PZJIVEFAQFXUPO-UHFFFAOYSA-N 0 3 194.278 2.019 10 0 AEAEHN CC(C)CO[C@@H](CN)c1cccs1 43109316 573318091 /nfs/dbraw/zinc/31/80/91/573318091.db2.gz SUHQNMKAGLDMHL-VIFPVBQESA-N 0 3 199.319 2.421 10 0 AEAEHN CCC[N@@H+](CC)Cc1ccc([O-])cn1 132551169 573318093 /nfs/dbraw/zinc/31/80/93/573318093.db2.gz PZJIVEFAQFXUPO-UHFFFAOYSA-N 0 3 194.278 2.019 10 0 AEAEHN F[C@H](Cc1ccco1)[C@@H]1CCCCN1 236159310 573318134 /nfs/dbraw/zinc/31/81/34/573318134.db2.gz UEYAIQIZVPYMHX-MNOVXSKESA-N 0 3 197.253 2.302 10 0 AEAEHN CCC(=O)[C@H](C)N(CC(C)C)C1CC1 82947097 573318226 /nfs/dbraw/zinc/31/82/26/573318226.db2.gz KDQLLXQCBINVDT-JTQLQIEISA-N 0 3 197.322 2.474 10 0 AEAEHN Cn1cc(-c2cccs2)cc1CN 259083494 573318396 /nfs/dbraw/zinc/31/83/96/573318396.db2.gz CYGGNWTWVNUXPZ-UHFFFAOYSA-N 0 3 192.287 2.212 10 0 AEAEHN COc1cscc1[C@@H](N)C(C)C 238350804 573318405 /nfs/dbraw/zinc/31/84/05/573318405.db2.gz SDRYAJXRXMDVED-VIFPVBQESA-N 0 3 185.292 2.413 10 0 AEAEHN CCc1nc2cc(N)cc(Cl)c2[nH]1 106872694 573318488 /nfs/dbraw/zinc/31/84/88/573318488.db2.gz KFLXRSVKYOBGSD-UHFFFAOYSA-N 0 3 195.653 2.361 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCC(C)(C)CC1 82947683 573318497 /nfs/dbraw/zinc/31/84/97/573318497.db2.gz IFAWAIQGNMOAGA-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC[C@H](C)C1 82949593 573318727 /nfs/dbraw/zinc/31/87/27/573318727.db2.gz CUSGQBJMOIITDQ-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCn1cnc([C@@H](N)C2(CC)CC2)c1 308552183 573318860 /nfs/dbraw/zinc/31/88/60/573318860.db2.gz SNUGOGMOQFESKH-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCC[C@H](C)C1 82949592 573318890 /nfs/dbraw/zinc/31/88/90/573318890.db2.gz CUSGQBJMOIITDQ-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CCCOc1cccnc1C(C)(C)N 308551874 573318910 /nfs/dbraw/zinc/31/89/10/573318910.db2.gz SGZHXYSAXPMLJV-UHFFFAOYSA-N 0 3 194.278 2.064 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC(C)(C)CC1 82947685 573318990 /nfs/dbraw/zinc/31/89/90/573318990.db2.gz IFAWAIQGNMOAGA-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CCn1cnc([C@H](N)C2(CC)CC2)c1 308552180 573319362 /nfs/dbraw/zinc/31/93/62/573319362.db2.gz SNUGOGMOQFESKH-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCC(C)CC1 82946714 573319376 /nfs/dbraw/zinc/31/93/76/573319376.db2.gz MCUQCVVUCANYPM-SNVBAGLBSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@H](NCc1cccnn1)C(C)(C)C 308551956 573319495 /nfs/dbraw/zinc/31/94/95/573319495.db2.gz XVJUVJZLLLIOCO-VIFPVBQESA-N 0 3 193.294 2.001 10 0 AEAEHN CCC[C@@H](C)n1cc(C)c(CNC)n1 308551826 573319832 /nfs/dbraw/zinc/31/98/32/573319832.db2.gz SGOMLZFTKGAQAF-SNVBAGLBSA-N 0 3 195.310 2.272 10 0 AEAEHN C[C@@H](NCc1cccnn1)C(C)(C)C 308551952 573319866 /nfs/dbraw/zinc/31/98/66/573319866.db2.gz XVJUVJZLLLIOCO-SECBINFHSA-N 0 3 193.294 2.001 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCCC(C)(C)C1 82947824 573319898 /nfs/dbraw/zinc/31/98/98/573319898.db2.gz WYQPEDWFLXOPFW-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC(C)CC1 82946716 573319917 /nfs/dbraw/zinc/31/99/17/573319917.db2.gz MCUQCVVUCANYPM-JTQLQIEISA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)=CCNCCc1cc(C)no1 308550816 573320218 /nfs/dbraw/zinc/32/02/18/573320218.db2.gz XIQCNKILRZTSSA-UHFFFAOYSA-N 0 3 194.278 2.081 10 0 AEAEHN C[NH2+]C(C)(C)Cc1cc([O-])cc(F)c1 106874457 573320297 /nfs/dbraw/zinc/32/02/97/573320297.db2.gz KBWNUTGYUPLQSY-UHFFFAOYSA-N 0 3 197.253 2.072 10 0 AEAEHN CCCN(CC1CC1)[C@@H](C)C(=O)CC 82947020 573320350 /nfs/dbraw/zinc/32/03/50/573320350.db2.gz HNGCTALDHUCNSK-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN C[NH2+]CC(C)(C)c1ccc(F)c([O-])c1 106874439 573320351 /nfs/dbraw/zinc/32/03/51/573320351.db2.gz OKDZDKPWTKOJNV-UHFFFAOYSA-N 0 3 197.253 2.028 10 0 AEAEHN CCC(=O)[C@@H](C)N(C)CC(C)(C)C 82947193 573320377 /nfs/dbraw/zinc/32/03/77/573320377.db2.gz MLEJNUZXRWZOPN-SECBINFHSA-N 0 3 185.311 2.332 10 0 AEAEHN CCC(=O)[C@H](C)N1CC[C@H](C)C[C@@H]1C 82947645 573320386 /nfs/dbraw/zinc/32/03/86/573320386.db2.gz TYAAXAMJMHOCKO-DCAQKATOSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N1CCCCCC1 82953509 573320456 /nfs/dbraw/zinc/32/04/56/573320456.db2.gz YKUFMHYHWWRBKN-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN C[C@@H]1NCCOc2c(Cl)cccc21 106874909 573320477 /nfs/dbraw/zinc/32/04/77/573320477.db2.gz CQYGHZWSCDRPED-ZETCQYMHSA-N 0 3 197.665 2.383 10 0 AEAEHN C[NH2+]C(C)(C)Cc1ccc(F)cc1[O-] 106874424 573320534 /nfs/dbraw/zinc/32/05/34/573320534.db2.gz XIJJAMZAMHJNLX-UHFFFAOYSA-N 0 3 197.253 2.072 10 0 AEAEHN CC(C)[C@@H](C[NH3+])c1cccc([O-])c1F 106874433 573320569 /nfs/dbraw/zinc/32/05/69/573320569.db2.gz HSDZTYVVHWUNEQ-SECBINFHSA-N 0 3 197.253 2.230 10 0 AEAEHN [O-]c1cc(Cl)cc([C@H]2CCC[NH2+]2)c1 106874870 573320766 /nfs/dbraw/zinc/32/07/66/573320766.db2.gz XLNOUZAWBYBFGS-SNVBAGLBSA-N 0 3 197.665 2.470 10 0 AEAEHN C[C@@H]1NCCOc2ccc(Cl)cc21 106874912 573320793 /nfs/dbraw/zinc/32/07/93/573320793.db2.gz POLCBJUYOHNPQC-ZETCQYMHSA-N 0 3 197.665 2.383 10 0 AEAEHN CC(C)[C@@H](C[NH3+])c1cc([O-])cc(F)c1 106874452 573321044 /nfs/dbraw/zinc/32/10/44/573321044.db2.gz BBTCHHXKDREQSD-LLVKDONJSA-N 0 3 197.253 2.230 10 0 AEAEHN C[NH2+]CC(C)(C)c1cc([O-])cc(F)c1 106874450 573321076 /nfs/dbraw/zinc/32/10/76/573321076.db2.gz UREYGPLAGIVOGK-UHFFFAOYSA-N 0 3 197.253 2.028 10 0 AEAEHN CC(C)[C@H](C[NH3+])c1cccc([O-])c1F 106874434 573321144 /nfs/dbraw/zinc/32/11/44/573321144.db2.gz HSDZTYVVHWUNEQ-VIFPVBQESA-N 0 3 197.253 2.230 10 0 AEAEHN [NH3+]CC1(c2cccc(Cl)c2[O-])CC1 106874827 573321287 /nfs/dbraw/zinc/32/12/87/573321287.db2.gz OWSIFCUUDVIJOC-UHFFFAOYSA-N 0 3 197.665 2.036 10 0 AEAEHN C[NH2+]C(C)(C)Cc1ccc(F)c([O-])c1 106874448 573321444 /nfs/dbraw/zinc/32/14/44/573321444.db2.gz XNMWDDKBOFGYJD-UHFFFAOYSA-N 0 3 197.253 2.072 10 0 AEAEHN NC1(c2cc3c(cc2F)CCC3)CC1 258003827 573321518 /nfs/dbraw/zinc/32/15/18/573321518.db2.gz GSYZLKMPCVGQSW-UHFFFAOYSA-N 0 3 191.249 2.262 10 0 AEAEHN CC(C)Cc1ncc(C2(N)CC2)s1 106873757 573321527 /nfs/dbraw/zinc/32/15/27/573321527.db2.gz RXGHICYHUWJVHI-UHFFFAOYSA-N 0 3 196.319 2.289 10 0 AEAEHN [O-]c1cc(Cl)cc([C@@H]2CCC[NH2+]2)c1 106874864 573321786 /nfs/dbraw/zinc/32/17/86/573321786.db2.gz XLNOUZAWBYBFGS-JTQLQIEISA-N 0 3 197.665 2.470 10 0 AEAEHN [O-]c1ccc(Cl)c([C@H]2CC[NH2+]C2)c1 106874893 573322450 /nfs/dbraw/zinc/32/24/50/573322450.db2.gz AKAHUNDTDARPBE-ZETCQYMHSA-N 0 3 197.665 2.123 10 0 AEAEHN [O-]c1ccc(Cl)c([C@@H]2CC[NH2+]C2)c1 106874890 573321826 /nfs/dbraw/zinc/32/18/26/573321826.db2.gz AKAHUNDTDARPBE-SSDOTTSWSA-N 0 3 197.665 2.123 10 0 AEAEHN NCc1ccc([C@H]2CCCS2)nc1 258004905 573321846 /nfs/dbraw/zinc/32/18/46/573321846.db2.gz GPSHMWWHMBNRQO-SNVBAGLBSA-N 0 3 194.303 2.108 10 0 AEAEHN CNc1nc(CC2CCCC2)c[nH]1 258627941 573321906 /nfs/dbraw/zinc/32/19/06/573321906.db2.gz CAVAPXPRMOGQGI-UHFFFAOYSA-N 0 3 179.267 2.184 10 0 AEAEHN CC(C)[C@@H](C[NH3+])c1ccc(F)c([O-])c1 106874441 573322457 /nfs/dbraw/zinc/32/24/57/573322457.db2.gz WIOUVMFQGMHZSN-SECBINFHSA-N 0 3 197.253 2.230 10 0 AEAEHN [NH3+]CC1(c2ccc([O-])cc2Cl)CC1 106874878 573322024 /nfs/dbraw/zinc/32/20/24/573322024.db2.gz REYQWKDWFGWLDK-UHFFFAOYSA-N 0 3 197.665 2.036 10 0 AEAEHN CC(C)[C@H](C[NH3+])c1cc([O-])cc(F)c1 106874454 573322061 /nfs/dbraw/zinc/32/20/61/573322061.db2.gz BBTCHHXKDREQSD-NSHDSACASA-N 0 3 197.253 2.230 10 0 AEAEHN CCC[C@@H](N)c1cccc(F)n1 74333926 573322326 /nfs/dbraw/zinc/32/23/26/573322326.db2.gz HJCYGYWDDWIFKD-SSDOTTSWSA-N 0 3 168.215 2.021 10 0 AEAEHN C[NH2+]CC(C)(C)c1cccc([O-])c1F 106874430 573322341 /nfs/dbraw/zinc/32/23/41/573322341.db2.gz VKEWNFTVDKKCLZ-UHFFFAOYSA-N 0 3 197.253 2.028 10 0 AEAEHN C[C@H]1NCCOc2ccc(Cl)cc21 106874911 573323515 /nfs/dbraw/zinc/32/35/15/573323515.db2.gz POLCBJUYOHNPQC-SSDOTTSWSA-N 0 3 197.665 2.383 10 0 AEAEHN [NH3+]CC1(c2ccc([O-])c(Cl)c2)CC1 106874881 573323313 /nfs/dbraw/zinc/32/33/13/573323313.db2.gz DYRLBAWUZQOVNQ-UHFFFAOYSA-N 0 3 197.665 2.036 10 0 AEAEHN [NH3+]CC1(c2cc([O-])cc(Cl)c2)CC1 106874861 573323446 /nfs/dbraw/zinc/32/34/46/573323446.db2.gz IULVGEVWXXNPQJ-UHFFFAOYSA-N 0 3 197.665 2.036 10 0 AEAEHN CCCCCC[C@@H](N)c1cncn1C 126077816 573323464 /nfs/dbraw/zinc/32/34/64/573323464.db2.gz JRWZCTJPQBBDRQ-SNVBAGLBSA-N 0 3 195.310 2.390 10 0 AEAEHN CN1CC[C@H](c2ccc(F)c(F)c2)C1 117211584 573327642 /nfs/dbraw/zinc/32/76/42/573327642.db2.gz QDXUCQPDXXXLPM-VIFPVBQESA-N 0 3 197.228 2.384 10 0 AEAEHN C[NH2+]C[C@H](C)c1ccc([O-])c(Cl)c1 106877699 573327653 /nfs/dbraw/zinc/32/76/53/573327653.db2.gz WVKLFBSFQOBXOK-ZETCQYMHSA-N 0 3 199.681 2.369 10 0 AEAEHN CC(C)(C[NH3+])c1cc([O-])cc(Cl)c1 106877674 573327771 /nfs/dbraw/zinc/32/77/71/573327771.db2.gz PCFOPMVTVMDNGI-UHFFFAOYSA-N 0 3 199.681 2.282 10 0 AEAEHN CC(C)([NH3+])Cc1cc([O-])ccc1Cl 106877720 573327682 /nfs/dbraw/zinc/32/76/82/573327682.db2.gz XEKDVAKEMPOBIL-UHFFFAOYSA-N 0 3 199.681 2.325 10 0 AEAEHN C[NH2+]C[C@@H](C)c1ccc([O-])cc1Cl 106877694 573327733 /nfs/dbraw/zinc/32/77/33/573327733.db2.gz BMESBJZPPYDDRI-SSDOTTSWSA-N 0 3 199.681 2.369 10 0 AEAEHN CCCN[C@@H](C)c1cn(CC)c(C)n1 308549469 573327835 /nfs/dbraw/zinc/32/78/35/573327835.db2.gz PJVMTOYMLMWTDP-VIFPVBQESA-N 0 3 195.310 2.272 10 0 AEAEHN CC1(C)C(NC2=NCCS2)C1(C)C 86240575 573327148 /nfs/dbraw/zinc/32/71/48/573327148.db2.gz MHCYRMCZKDFMDX-UHFFFAOYSA-N 0 3 198.335 2.113 10 0 AEAEHN Cc1cc([O-])c(Cl)c(C[C@H](C)[NH3+])c1 258003349 573327343 /nfs/dbraw/zinc/32/73/43/573327343.db2.gz CCXVDRUCQGLBKK-ZETCQYMHSA-N 0 3 199.681 2.244 10 0 AEAEHN Cc1ccoc1C1(N)CC=CC1 74340949 573327477 /nfs/dbraw/zinc/32/74/77/573327477.db2.gz IAHOQVKWIDTRPO-UHFFFAOYSA-N 0 3 163.220 2.092 10 0 AEAEHN F[C@@H](c1cccnc1)[C@@H]1CCCCN1 236171778 573330901 /nfs/dbraw/zinc/33/09/01/573330901.db2.gz AWLAAWLXUSPOGQ-QWRGUYRKSA-N 0 3 194.253 2.234 10 0 AEAEHN COC[C@H](N)c1cc(C)ccc1Cl 238358552 573330154 /nfs/dbraw/zinc/33/01/54/573330154.db2.gz NLRMZOILXZUMJY-JTQLQIEISA-N 0 3 199.681 2.295 10 0 AEAEHN Cc1cc([O-])c(Cl)c(C[C@@H](C)[NH3+])c1 258003345 573330306 /nfs/dbraw/zinc/33/03/06/573330306.db2.gz CCXVDRUCQGLBKK-SSDOTTSWSA-N 0 3 199.681 2.244 10 0 AEAEHN Fc1ccc2nc(NC3CC3)[nH]c2c1 236166851 573333296 /nfs/dbraw/zinc/33/32/96/573333296.db2.gz MKRDGRONKFTBFT-UHFFFAOYSA-N 0 3 191.209 2.276 10 0 AEAEHN CO[C@H](N)c1c(C)[nH]c2ccccc12 259420048 573332351 /nfs/dbraw/zinc/33/23/51/573332351.db2.gz MRRXHCWDGPGERW-NSHDSACASA-N 0 3 190.246 2.080 10 0 AEAEHN COC[C@H](N)c1cc(C)c(F)c(C)c1 238358261 573332474 /nfs/dbraw/zinc/33/24/74/573332474.db2.gz CEQJHMCBTGZIQO-JTQLQIEISA-N 0 3 197.253 2.089 10 0 AEAEHN C[C@H](N)c1cn2c(Cl)cccc2n1 74374916 573332684 /nfs/dbraw/zinc/33/26/84/573332684.db2.gz AKWKBKYXPBNLBO-LURJTMIESA-N 0 3 195.653 2.007 10 0 AEAEHN CCCCC[C@@H](N)c1cncn1C 126090894 573335494 /nfs/dbraw/zinc/33/54/94/573335494.db2.gz ZLQBFBCAOPBVDO-SECBINFHSA-N 0 3 181.283 2.000 10 0 AEAEHN CCc1ccc(CC)n2c(N)cnc12 238360247 573335099 /nfs/dbraw/zinc/33/50/99/573335099.db2.gz JSQJHYZTUBVOQU-UHFFFAOYSA-N 0 3 189.262 2.041 10 0 AEAEHN F[C@H](c1ccccc1)[C@@H]1CCN1 258633305 573335225 /nfs/dbraw/zinc/33/52/25/573335225.db2.gz YAPAURLXQGICKW-VHSXEESVSA-N 0 3 165.211 2.059 10 0 AEAEHN CC(C)CO[C@H](CN)c1ccsc1 43124865 573335236 /nfs/dbraw/zinc/33/52/36/573335236.db2.gz SHTIIXBFNKFKAQ-SNVBAGLBSA-N 0 3 199.319 2.421 10 0 AEAEHN N=C(N)c1cc(Cl)sc1Cl 117410514 573336021 /nfs/dbraw/zinc/33/60/21/573336021.db2.gz HEEQMIABELTSRJ-UHFFFAOYSA-N 0 3 195.074 2.339 10 0 AEAEHN C[C@H](N)c1cnc2cccc(Cl)n12 74375067 573336332 /nfs/dbraw/zinc/33/63/32/573336332.db2.gz HESNIZVLOXBLMM-LURJTMIESA-N 0 3 195.653 2.007 10 0 AEAEHN CN[C@@H](c1occc1C)[C@@H](C)COC 686245248 573336366 /nfs/dbraw/zinc/33/63/66/573336366.db2.gz VNDWMIGCAQTENJ-VHSXEESVSA-N 0 3 197.278 2.131 10 0 AEAEHN CCCCC[C@H](N)c1cncn1C 126090634 573336388 /nfs/dbraw/zinc/33/63/88/573336388.db2.gz ZLQBFBCAOPBVDO-VIFPVBQESA-N 0 3 181.283 2.000 10 0 AEAEHN F[C@@H](c1ccccc1)[C@@H]1CCN1 258633303 573338490 /nfs/dbraw/zinc/33/84/90/573338490.db2.gz YAPAURLXQGICKW-UWVGGRQHSA-N 0 3 165.211 2.059 10 0 AEAEHN F[C@H](Cc1ccoc1)[C@@H]1CCCCN1 236160454 573339674 /nfs/dbraw/zinc/33/96/74/573339674.db2.gz HOLRJNCCYWLDFV-MNOVXSKESA-N 0 3 197.253 2.302 10 0 AEAEHN CC(C)CC[C@@]1(C2CC2)CNCCO1 308555849 573339925 /nfs/dbraw/zinc/33/99/25/573339925.db2.gz SFVOIALTXVSTND-LBPRGKRZSA-N 0 3 197.322 2.191 10 0 AEAEHN CC[C@@H](C)N1CCC(=O)CC1(C)C 259422056 573339931 /nfs/dbraw/zinc/33/99/31/573339931.db2.gz NLEZESMOULDSHL-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC(C)CC[C@@H](NC1COC1)C1CC1 308555174 573340115 /nfs/dbraw/zinc/34/01/15/573340115.db2.gz RVENJMFJFCYBEV-GFCCVEGCSA-N 0 3 197.322 2.190 10 0 AEAEHN CN[C@@H](C)c1cn(CC(C)C)c(C)n1 308556051 573340130 /nfs/dbraw/zinc/34/01/30/573340130.db2.gz SHJHLQRSNIDJDO-VIFPVBQESA-N 0 3 195.310 2.128 10 0 AEAEHN CC1([C@@H]2NCCCS2)CCC1 686132816 573340719 /nfs/dbraw/zinc/34/07/19/573340719.db2.gz KZVNMYKBPAXYBG-MRVPVSSYSA-N 0 3 171.309 2.229 10 0 AEAEHN CC(C)CC[C@]1(C2CC2)CNCCO1 308555847 573341227 /nfs/dbraw/zinc/34/12/27/573341227.db2.gz SFVOIALTXVSTND-GFCCVEGCSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@@H]1CN[C@@H](C2(C)CCC2)S1 686133027 573342924 /nfs/dbraw/zinc/34/29/24/573342924.db2.gz LCBXWWIUVNQSAU-HTQZYQBOSA-N 0 3 171.309 2.228 10 0 AEAEHN CCO[C@H](CN)c1ccc(C)s1 43243868 573343949 /nfs/dbraw/zinc/34/39/49/573343949.db2.gz JYHZBEYXTLPPQQ-MRVPVSSYSA-N 0 3 185.292 2.093 10 0 AEAEHN CSC[C@@H]1Cc2ccccc2CN1 258292417 573344000 /nfs/dbraw/zinc/34/40/00/573344000.db2.gz VTUWTEYXZHNYNU-NSHDSACASA-N 0 3 193.315 2.064 10 0 AEAEHN CSC[C@H]1Cc2ccccc2CN1 258292414 573344221 /nfs/dbraw/zinc/34/42/21/573344221.db2.gz VTUWTEYXZHNYNU-LLVKDONJSA-N 0 3 193.315 2.064 10 0 AEAEHN Cc1cccc([C@H]2CCC[C@H](O)N2)c1 258634391 573344433 /nfs/dbraw/zinc/34/44/33/573344433.db2.gz LDWAETNZWLESQQ-NEPJUHHUSA-N 0 3 191.274 2.128 10 0 AEAEHN CC(C)C(=O)CN1[C@H](C)CCC[C@H]1C 86276311 573345711 /nfs/dbraw/zinc/34/57/11/573345711.db2.gz SLADFMSLXMRFNQ-GHMZBOCLSA-N 0 3 197.322 2.474 10 0 AEAEHN CCCCCn1cc([C@@H](C)N)nc1C 308557126 573345087 /nfs/dbraw/zinc/34/50/87/573345087.db2.gz TUBBIDWTAVJHIF-SECBINFHSA-N 0 3 195.310 2.401 10 0 AEAEHN COc1ccc([C@@H](N)C2CC2)s1 238357226 573345159 /nfs/dbraw/zinc/34/51/59/573345159.db2.gz HEWJTZJWYCRKIS-VIFPVBQESA-N 0 3 183.276 2.167 10 0 AEAEHN C/C=C\CN[C@@H](C)c1ccnc(F)c1 308556753 573345165 /nfs/dbraw/zinc/34/51/65/573345165.db2.gz ZUMHNOAARWWNLD-TYRPZCRBSA-N 0 3 194.253 2.447 10 0 AEAEHN CC(C)C(=O)CN1C[C@H](C)CC[C@H]1C 86276740 573345536 /nfs/dbraw/zinc/34/55/36/573345536.db2.gz MUCQWXOUOQISPS-GHMZBOCLSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)C(=O)CN1CCC[C@@H](C)[C@H]1C 86276629 573345690 /nfs/dbraw/zinc/34/56/90/573345690.db2.gz NBSUVNILIZQEMF-GHMZBOCLSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)C(=O)CN1C[C@@H](C)C[C@H](C)C1 86276284 573346576 /nfs/dbraw/zinc/34/65/76/573346576.db2.gz WEHICFZVHHAUTE-QWRGUYRKSA-N 0 3 197.322 2.189 10 0 AEAEHN CC(C)C(=O)CN1CCCCC[C@H]1C 86276715 573346594 /nfs/dbraw/zinc/34/65/94/573346594.db2.gz SPNJZTSJGIADLI-LLVKDONJSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)C(=O)CN1C[C@@H](C)CC[C@H]1C 86276741 573346633 /nfs/dbraw/zinc/34/66/33/573346633.db2.gz MUCQWXOUOQISPS-WDEREUQCSA-N 0 3 197.322 2.332 10 0 AEAEHN COc1cc(F)c([C@H]2CCN2)cc1F 238362989 573346750 /nfs/dbraw/zinc/34/67/50/573346750.db2.gz PBYRWAUCDLGFLF-SECBINFHSA-N 0 3 199.200 2.008 10 0 AEAEHN CCc1nc([C@H](C)N)cn1[C@H](C)CC 308558976 573349385 /nfs/dbraw/zinc/34/93/85/573349385.db2.gz UWWOIOPDNROMKK-BDAKNGLRSA-N 0 3 195.310 2.436 10 0 AEAEHN CC(C)C(=O)CN1CCC[C@@H](C)CC1 86276690 573348741 /nfs/dbraw/zinc/34/87/41/573348741.db2.gz NWWBDAJJNKPEMB-LLVKDONJSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(C)C(=O)CN1CCC[C@H](C)[C@H]1C 86276630 573348845 /nfs/dbraw/zinc/34/88/45/573348845.db2.gz NBSUVNILIZQEMF-WDEREUQCSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)C(=O)CN1CC[C@@H](C)C[C@H]1C 86276633 573349296 /nfs/dbraw/zinc/34/92/96/573349296.db2.gz KPXMDPPGADTGGD-GHMZBOCLSA-N 0 3 197.322 2.332 10 0 AEAEHN C=Cc1cncc([C@H](C)NC)c1 209789125 573349436 /nfs/dbraw/zinc/34/94/36/573349436.db2.gz RDGXRHDMXSODAN-QMMMGPOBSA-N 0 3 162.236 2.005 10 0 AEAEHN CC(C)C(=O)CN1C[C@H](C)C[C@@H](C)C1 86276285 573349595 /nfs/dbraw/zinc/34/95/95/573349595.db2.gz WEHICFZVHHAUTE-GHMZBOCLSA-N 0 3 197.322 2.189 10 0 AEAEHN CCc1nc([C@@H](C)N)cn1[C@@H](C)CC 308558977 573349665 /nfs/dbraw/zinc/34/96/65/573349665.db2.gz UWWOIOPDNROMKK-DTWKUNHWSA-N 0 3 195.310 2.436 10 0 AEAEHN CC(C)C(=O)CN1[C@@H](C)CCC[C@@H]1C 86276310 573350459 /nfs/dbraw/zinc/35/04/59/573350459.db2.gz SLADFMSLXMRFNQ-QWRGUYRKSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@]1(C2CCC2)NCCC1(F)F 258009172 573349790 /nfs/dbraw/zinc/34/97/90/573349790.db2.gz HANGNOUWGPEDTM-QMMMGPOBSA-N 0 3 175.222 2.174 10 0 AEAEHN C[C@@H](N[C@H](C)C(C)(C)C)c1ncc[nH]1 308558238 573350060 /nfs/dbraw/zinc/35/00/60/573350060.db2.gz CMJYDDPUBUQSPZ-RKDXNWHRSA-N 0 3 195.310 2.495 10 0 AEAEHN CC(C)C(=O)CN1CCCC(C)(C)C1 86276710 573350292 /nfs/dbraw/zinc/35/02/92/573350292.db2.gz MJDVUIXULKBSPU-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN C=Cc1cccnc1[C@H](C)NC 209789334 573350945 /nfs/dbraw/zinc/35/09/45/573350945.db2.gz IUMZOXMJJURROJ-QMMMGPOBSA-N 0 3 162.236 2.005 10 0 AEAEHN C[C@H](N[C@H](C)c1ncc[nH]1)C(C)(C)C 308558235 573351149 /nfs/dbraw/zinc/35/11/49/573351149.db2.gz CMJYDDPUBUQSPZ-BDAKNGLRSA-N 0 3 195.310 2.495 10 0 AEAEHN C=Cc1ccc([C@H](C)NC)nc1 209789206 573351163 /nfs/dbraw/zinc/35/11/63/573351163.db2.gz PWIZTFRCXSXURU-QMMMGPOBSA-N 0 3 162.236 2.005 10 0 AEAEHN NCc1c(F)c(F)cc(Cl)c1F 258006143 573351497 /nfs/dbraw/zinc/35/14/97/573351497.db2.gz GWHWNWAJVQPOMO-UHFFFAOYSA-N 0 3 195.571 2.216 10 0 AEAEHN CC(C)CCN1CCC(=O)[C@H](C)[C@H]1C 86302976 573351506 /nfs/dbraw/zinc/35/15/06/573351506.db2.gz VTNAOZUOVGDZOI-GHMZBOCLSA-N 0 3 197.322 2.332 10 0 AEAEHN Cc1cn(CCC(C)(C)C)nc1CN 308558665 573351524 /nfs/dbraw/zinc/35/15/24/573351524.db2.gz VXWMPKYQQIUCSY-UHFFFAOYSA-N 0 3 195.310 2.086 10 0 AEAEHN COc1cc(F)cc2c1[C@@H](N)CCC2 238365598 573351530 /nfs/dbraw/zinc/35/15/30/573351530.db2.gz HEZYVEPJMVZWBR-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN COc1ccc([C@@H]2CCN2)c(Cl)c1 238365047 573351546 /nfs/dbraw/zinc/35/15/46/573351546.db2.gz UFBLRNJIMNVPEQ-JTQLQIEISA-N 0 3 197.665 2.383 10 0 AEAEHN CC[C@H](C)N1CCC(=O)[C@H](C)[C@@H]1C 86303121 573352506 /nfs/dbraw/zinc/35/25/06/573352506.db2.gz XEGFAQKQALYUMA-AEJSXWLSSA-N 0 3 183.295 2.084 10 0 AEAEHN CC(C)[C@H](C)N1CCC(=O)[C@H](C)[C@@H]1C 86303435 573353180 /nfs/dbraw/zinc/35/31/80/573353180.db2.gz URHHPKLMERDNET-VWYCJHECSA-N 0 3 197.322 2.330 10 0 AEAEHN C[C@@H]1C(=O)CCN([C@@H](C)C2CC2)[C@H]1C 86303638 573352656 /nfs/dbraw/zinc/35/26/56/573352656.db2.gz JLAOSRPDIRURDB-GUBZILKMSA-N 0 3 195.306 2.084 10 0 AEAEHN C=Cc1cccnc1[C@@H](C)NC 209789364 573353198 /nfs/dbraw/zinc/35/31/98/573353198.db2.gz IUMZOXMJJURROJ-MRVPVSSYSA-N 0 3 162.236 2.005 10 0 AEAEHN CC(C)[C@H](C)N1CCC(=O)[C@@H](C)[C@@H]1C 86303438 573352902 /nfs/dbraw/zinc/35/29/02/573352902.db2.gz URHHPKLMERDNET-DCAQKATOSA-N 0 3 197.322 2.330 10 0 AEAEHN CC(C)CCN1CCC(=O)[C@H](C)[C@@H]1C 86302972 573353018 /nfs/dbraw/zinc/35/30/18/573353018.db2.gz VTNAOZUOVGDZOI-MNOVXSKESA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H]1C(=O)CCN(CC(C)(C)C)[C@@H]1C 86304134 573353121 /nfs/dbraw/zinc/35/31/21/573353121.db2.gz QLVQFSNNQMTCJV-NXEZZACHSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H]1[C@@H](C)C(=O)CCN1CC(C)(C)C 86304129 573354219 /nfs/dbraw/zinc/35/42/19/573354219.db2.gz QLVQFSNNQMTCJV-ZJUUUORDSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H]1C(=O)CCN(CC2CCC2)[C@@H]1C 86303501 573354316 /nfs/dbraw/zinc/35/43/16/573354316.db2.gz BTKFUJBCFCGMNH-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1C(=O)CCN(C2CCCC2)[C@H]1C 86303234 573354436 /nfs/dbraw/zinc/35/44/36/573354436.db2.gz URTSOHAZUCANGH-UWVGGRQHSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@H](NCc1cncnc1)C(C)(C)C 132847013 573354462 /nfs/dbraw/zinc/35/44/62/573354462.db2.gz CITCAQQHVWGYPN-VIFPVBQESA-N 0 3 193.294 2.001 10 0 AEAEHN COc1ccccc1[C@@H]1CC=CN1 238368320 573355687 /nfs/dbraw/zinc/35/56/87/573355687.db2.gz USDARMIAACUISU-JTQLQIEISA-N 0 3 175.231 2.243 10 0 AEAEHN CC(C)(C)[C@@H](CF)NC1CC1 107119533 573354988 /nfs/dbraw/zinc/35/49/88/573354988.db2.gz CSAZSASVKQVBGD-MRVPVSSYSA-N 0 3 159.248 2.123 10 0 AEAEHN CCC[C@H](C)N1CCC(=O)[C@H](C)[C@@H]1C 86303049 573355099 /nfs/dbraw/zinc/35/50/99/573355099.db2.gz GDCRVYQDMOUDLB-AXFHLTTASA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H]1C(=O)CCN(CC2CCC2)[C@H]1C 86303498 573355139 /nfs/dbraw/zinc/35/51/39/573355139.db2.gz BTKFUJBCFCGMNH-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN CCC(CC)N1CCC(=O)[C@@H](C)[C@@H]1C 86303261 573355231 /nfs/dbraw/zinc/35/52/31/573355231.db2.gz XZMMRJBCYJWGBN-UWVGGRQHSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H]1C(=O)CCN([C@@H](C)C2CC2)[C@@H]1C 86303642 573355305 /nfs/dbraw/zinc/35/53/05/573355305.db2.gz JLAOSRPDIRURDB-AEJSXWLSSA-N 0 3 195.306 2.084 10 0 AEAEHN CCCCN1CCC(=O)[C@H](C)[C@@H]1C 86302953 573355431 /nfs/dbraw/zinc/35/54/31/573355431.db2.gz MGRJLJICTOYJGN-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(CC)Oc1ncccc1CN 259426190 573355804 /nfs/dbraw/zinc/35/58/04/573355804.db2.gz JXTSZXPRYFNRRC-UHFFFAOYSA-N 0 3 194.278 2.108 10 0 AEAEHN COc1ccccc1[C@@H]1CC=CCN1 238368303 573355964 /nfs/dbraw/zinc/35/59/64/573355964.db2.gz LGBBNQFTLOBYHZ-NSHDSACASA-N 0 3 189.258 2.286 10 0 AEAEHN CC(C)[C@H](C)N1CCC(=O)[C@@H](C)[C@H]1C 86303442 573356908 /nfs/dbraw/zinc/35/69/08/573356908.db2.gz URHHPKLMERDNET-GARJFASQSA-N 0 3 197.322 2.330 10 0 AEAEHN C[C@@H](N)c1coc([C@H]2CCCS2)n1 258297890 573358153 /nfs/dbraw/zinc/35/81/53/573358153.db2.gz ZOCHXFPDQICRBZ-HTRCEHHLSA-N 0 3 198.291 2.262 10 0 AEAEHN CN[C@H](c1ccc(COC)o1)C(C)C 132955748 573358125 /nfs/dbraw/zinc/35/81/25/573358125.db2.gz SDIIJJWUFQQGFI-NSHDSACASA-N 0 3 197.278 2.343 10 0 AEAEHN C[C@H]1C(=O)CCN(CCC2CC2)[C@@H]1C 86305502 573358385 /nfs/dbraw/zinc/35/83/85/573358385.db2.gz KIGCIIZADVXGJZ-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1C(=O)CCN(CCC2CC2)[C@H]1C 86305501 573358418 /nfs/dbraw/zinc/35/84/18/573358418.db2.gz KIGCIIZADVXGJZ-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN CCC[C@H](C)[C@H](N)c1cn(CC)cn1 308562829 573360774 /nfs/dbraw/zinc/36/07/74/573360774.db2.gz XBIMKCRNKXBHIT-ONGXEEELSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@H](N)c1coc([C@@H]2CCCS2)n1 258297896 573359998 /nfs/dbraw/zinc/35/99/98/573359998.db2.gz ZOCHXFPDQICRBZ-XPUUQOCRSA-N 0 3 198.291 2.262 10 0 AEAEHN CC[C@H](C)CN1CCC(=O)[C@H](C)[C@@H]1C 86304711 573360101 /nfs/dbraw/zinc/36/01/01/573360101.db2.gz GEUJVVZZPYSHBV-AXFHLTTASA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H](N)c1coc([C@H]2CCCS2)n1 258297893 573360130 /nfs/dbraw/zinc/36/01/30/573360130.db2.gz ZOCHXFPDQICRBZ-POYBYMJQSA-N 0 3 198.291 2.262 10 0 AEAEHN C[C@@H]1C(=O)CCN(CCC2CC2)[C@@H]1C 86305504 573360359 /nfs/dbraw/zinc/36/03/59/573360359.db2.gz KIGCIIZADVXGJZ-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN COCCN(CC=C(C)C)C1CC1 308368487 573363021 /nfs/dbraw/zinc/36/30/21/573363021.db2.gz PBZAWHFWUPTQMS-UHFFFAOYSA-N 0 3 183.295 2.063 10 0 AEAEHN CN[C@@H](CC1(C)CCC1)c1ncc[nH]1 308562561 573362359 /nfs/dbraw/zinc/36/23/59/573362359.db2.gz GCMSOYPUULVENT-VIFPVBQESA-N 0 3 193.294 2.251 10 0 AEAEHN N[C@H](CF)c1cccc2ccoc12 107126678 573362607 /nfs/dbraw/zinc/36/26/07/573362607.db2.gz KWLSVYSWEYHWHT-SECBINFHSA-N 0 3 179.194 2.402 10 0 AEAEHN COC[C@H](C)N(C)CC=C1CCC1 308370037 573362632 /nfs/dbraw/zinc/36/26/32/573362632.db2.gz PUOZJTBHYVCYKC-JTQLQIEISA-N 0 3 183.295 2.063 10 0 AEAEHN C/C=C\CN(CC)C[C@H]1CCCO1 308369391 573362721 /nfs/dbraw/zinc/36/27/21/573362721.db2.gz PQJNQVAKEFLEEZ-USEMIUTHSA-N 0 3 183.295 2.063 10 0 AEAEHN CSCc1ccc2c(c1)CNC2 258313530 573362858 /nfs/dbraw/zinc/36/28/58/573362858.db2.gz XEITUXFPYCSJIM-UHFFFAOYSA-N 0 3 179.288 2.153 10 0 AEAEHN C/C=C\CCNCc1cccc(C)n1 308369876 573363818 /nfs/dbraw/zinc/36/38/18/573363818.db2.gz ADTXXFARHMGBSO-ARJAWSKDSA-N 0 3 190.290 2.446 10 0 AEAEHN COC[C@@H](C)N(C)CC=C1CCC1 308370040 573365114 /nfs/dbraw/zinc/36/51/14/573365114.db2.gz PUOZJTBHYVCYKC-SNVBAGLBSA-N 0 3 183.295 2.063 10 0 AEAEHN COc1cc(Cl)cc2c1[C@H](N)CC2 238361154 573365332 /nfs/dbraw/zinc/36/53/32/573365332.db2.gz HWEPCOJGUYGGEL-MRVPVSSYSA-N 0 3 197.665 2.295 10 0 AEAEHN CN[C@@H](O)c1ccc(C(C)C)cc1 259427869 573364896 /nfs/dbraw/zinc/36/48/96/573364896.db2.gz NWBGZTLCHIKAQA-NSHDSACASA-N 0 3 179.263 2.020 10 0 AEAEHN NCc1ccc2sccc2c1F 107128155 573365013 /nfs/dbraw/zinc/36/50/13/573365013.db2.gz ZOEIAMFMTVEEJZ-UHFFFAOYSA-N 0 3 181.235 2.499 10 0 AEAEHN C/C=C/CN(CC)C[C@H]1CCCO1 308369387 573365156 /nfs/dbraw/zinc/36/51/56/573365156.db2.gz PQJNQVAKEFLEEZ-JOAKQRRISA-N 0 3 183.295 2.063 10 0 AEAEHN COc1cc(Cl)cc2c1[C@@H](N)CC2 238361169 573365236 /nfs/dbraw/zinc/36/52/36/573365236.db2.gz HWEPCOJGUYGGEL-QMMMGPOBSA-N 0 3 197.665 2.295 10 0 AEAEHN CN[C@H](O)c1ccc(C(C)C)cc1 259427867 573365247 /nfs/dbraw/zinc/36/52/47/573365247.db2.gz NWBGZTLCHIKAQA-LLVKDONJSA-N 0 3 179.263 2.020 10 0 AEAEHN CC[C@H](CO)N[C@H](C)c1occc1C 133050283 573367769 /nfs/dbraw/zinc/36/77/69/573367769.db2.gz KGVGGJFQTMSDNR-NXEZZACHSA-N 0 3 197.278 2.010 10 0 AEAEHN CCCCc1nc2c(s1)CNCC2 86323861 573366841 /nfs/dbraw/zinc/36/68/41/573366841.db2.gz HJDUAPPUZGAEBB-UHFFFAOYSA-N 0 3 196.319 2.131 10 0 AEAEHN c1cc2c(cn1)N[C@@H](C1CC1)CCN2 107134085 573367340 /nfs/dbraw/zinc/36/73/40/573367340.db2.gz ZUICTHJWTCFLOL-SECBINFHSA-N 0 3 189.262 2.088 10 0 AEAEHN c1cc2c(cn1)N[C@H](C1CC1)CCN2 107134086 573368213 /nfs/dbraw/zinc/36/82/13/573368213.db2.gz ZUICTHJWTCFLOL-VIFPVBQESA-N 0 3 189.262 2.088 10 0 AEAEHN F[C@@H]1CNC[C@H]1Sc1ccccc1 258015072 573371707 /nfs/dbraw/zinc/37/17/07/573371707.db2.gz HOHIVJHEQWTPDI-NXEZZACHSA-N 0 3 197.278 2.089 10 0 AEAEHN CC[C@H](C=C1CNC1)CC(F)F 688758187 573371930 /nfs/dbraw/zinc/37/19/30/573371930.db2.gz GNPQKFYLNALWPO-SSDOTTSWSA-N 0 3 175.222 2.197 10 0 AEAEHN F[C@H]1CNC[C@H]1Sc1ccccc1 258015076 573372503 /nfs/dbraw/zinc/37/25/03/573372503.db2.gz HOHIVJHEQWTPDI-VHSXEESVSA-N 0 3 197.278 2.089 10 0 AEAEHN Cc1c(Cl)ccc([O-])c1/C=C/C[NH3+] 258016594 573372560 /nfs/dbraw/zinc/37/25/60/573372560.db2.gz HTHRMFGHPPMJPO-NSCUHMNNSA-N 0 3 197.665 2.326 10 0 AEAEHN F[C@H]1CNC[C@@H]1Sc1ccccc1 258015074 573372653 /nfs/dbraw/zinc/37/26/53/573372653.db2.gz HOHIVJHEQWTPDI-UWVGGRQHSA-N 0 3 197.278 2.089 10 0 AEAEHN CC[C@H](F)CN(CC)[C@H](C)COC 308374017 573372708 /nfs/dbraw/zinc/37/27/08/573372708.db2.gz RIVVDTUEDXYKDA-ZJUUUORDSA-N 0 3 191.290 2.091 10 0 AEAEHN Cc1cc(F)c([O-])cc1[C@@H]1CCC[NH2+]1 214799975 573372757 /nfs/dbraw/zinc/37/27/57/573372757.db2.gz WLRRBZKKZQVQJH-JTQLQIEISA-N 0 3 195.237 2.264 10 0 AEAEHN C[C@@H]1C[C@](O)(C2CCCC2)CCN1C 107140903 573372922 /nfs/dbraw/zinc/37/29/22/573372922.db2.gz AJGOHURNHNHWDC-PWSUYJOCSA-N 0 3 197.322 2.022 10 0 AEAEHN COc1cc(C)c([C@@H](N)CF)c(C)c1 107140413 573373052 /nfs/dbraw/zinc/37/30/52/573373052.db2.gz JPHHOOILGGJESI-JTQLQIEISA-N 0 3 197.253 2.281 10 0 AEAEHN COc1ccc(F)c(C)c1C1(N)CC1 214798785 573373730 /nfs/dbraw/zinc/37/37/30/573373730.db2.gz DAHDMXFHROGGNQ-UHFFFAOYSA-N 0 3 195.237 2.091 10 0 AEAEHN Cc1coc(C[C@@]2(F)CCCNC2)c1 107140348 573373912 /nfs/dbraw/zinc/37/39/12/573373912.db2.gz JFAYBSYGEYYDPE-NSHDSACASA-N 0 3 197.253 2.222 10 0 AEAEHN F[C@]1(Cc2ccccc2)CCCNC1 107136767 573374758 /nfs/dbraw/zinc/37/47/58/573374758.db2.gz YLASITLHMAYKTO-LBPRGKRZSA-N 0 3 193.265 2.321 10 0 AEAEHN COc1cc(C)c([C@H](N)CF)c(C)c1 107140412 573374594 /nfs/dbraw/zinc/37/45/94/573374594.db2.gz JPHHOOILGGJESI-SNVBAGLBSA-N 0 3 197.253 2.281 10 0 AEAEHN Fc1cccc([C@@]2(F)CCCNC2)c1 107139995 573375250 /nfs/dbraw/zinc/37/52/50/573375250.db2.gz BZSXABVHBDLEIP-LLVKDONJSA-N 0 3 197.228 2.374 10 0 AEAEHN Cc1ccc(C[C@]2(F)CCCNC2)o1 107140351 573375490 /nfs/dbraw/zinc/37/54/90/573375490.db2.gz SDQZZDVJDDEUIH-LLVKDONJSA-N 0 3 197.253 2.222 10 0 AEAEHN Fc1ccccc1[C@@]12CC[C@@H](C1)N2 258017685 573375522 /nfs/dbraw/zinc/37/55/22/573375522.db2.gz FNZPKPJRDMQBME-GZMMTYOYSA-N 0 3 177.222 2.177 10 0 AEAEHN Cc1cc(C(C)(C)C)ccc1[C@H](N)O 259431230 573375674 /nfs/dbraw/zinc/37/56/74/573375674.db2.gz NDVGJYWMEYEXTR-LLVKDONJSA-N 0 3 193.290 2.242 10 0 AEAEHN CC[C@H](NCCF)c1ccc(O)cc1 308566089 573375850 /nfs/dbraw/zinc/37/58/50/573375850.db2.gz YIGGNSQJIDGROZ-NSHDSACASA-N 0 3 197.253 2.402 10 0 AEAEHN Cc1ccc(Cl)c2c1NCCNC2 107139806 573375875 /nfs/dbraw/zinc/37/58/75/573375875.db2.gz DNQOAVCIRLXJDM-UHFFFAOYSA-N 0 3 196.681 2.164 10 0 AEAEHN CC(C)OCCCNc1ccncc1 308565185 573375927 /nfs/dbraw/zinc/37/59/27/573375927.db2.gz HIUINNFENISRKV-UHFFFAOYSA-N 0 3 194.278 2.309 10 0 AEAEHN CCCC(F)(F)[C@@H]1CCCN1 258332456 573375930 /nfs/dbraw/zinc/37/59/30/573375930.db2.gz UYTSFODCMOTCJZ-ZETCQYMHSA-N 0 3 163.211 2.174 10 0 AEAEHN C[C@@H]1CC[C@@H](Nc2nccn2C)[C@@H]1C 83045351 573376015 /nfs/dbraw/zinc/37/60/15/573376015.db2.gz GHHCDFRLWAXDHT-OPRDCNLKSA-N 0 3 193.294 2.267 10 0 AEAEHN F[C@@]1(Cc2ccccc2)CCCNC1 107136765 573376144 /nfs/dbraw/zinc/37/61/44/573376144.db2.gz YLASITLHMAYKTO-GFCCVEGCSA-N 0 3 193.265 2.321 10 0 AEAEHN C[C@@H]1C[C@@](O)(C2CCCC2)CCN1C 107140908 573376377 /nfs/dbraw/zinc/37/63/77/573376377.db2.gz AJGOHURNHNHWDC-ZYHUDNBSSA-N 0 3 197.322 2.022 10 0 AEAEHN Cc1c(Cl)ccc2c1NCCNC2 107139810 573376441 /nfs/dbraw/zinc/37/64/41/573376441.db2.gz FWQVLUYXDZYRRO-UHFFFAOYSA-N 0 3 196.681 2.164 10 0 AEAEHN Fc1cccc([C@]2(F)CCCNC2)c1 107139991 573376505 /nfs/dbraw/zinc/37/65/05/573376505.db2.gz BZSXABVHBDLEIP-NSHDSACASA-N 0 3 197.228 2.374 10 0 AEAEHN CCCC(F)(F)[C@H]1CCCN1 258332454 573376590 /nfs/dbraw/zinc/37/65/90/573376590.db2.gz UYTSFODCMOTCJZ-SSDOTTSWSA-N 0 3 163.211 2.174 10 0 AEAEHN Cc1cc(C(C)(C)C)ccc1[C@@H](N)O 259431233 573376784 /nfs/dbraw/zinc/37/67/84/573376784.db2.gz NDVGJYWMEYEXTR-NSHDSACASA-N 0 3 193.290 2.242 10 0 AEAEHN CN1CCC[C@@H]1c1ccc(C=O)cc1 117873184 573377060 /nfs/dbraw/zinc/37/70/60/573377060.db2.gz IOHFBBHAYBGFPF-GFCCVEGCSA-N 0 3 189.258 2.266 10 0 AEAEHN Cc1ccc(C2(N)CC2)c(N(C)C)c1 259429979 573377232 /nfs/dbraw/zinc/37/72/32/573377232.db2.gz KVBVUYOTJXYLHD-UHFFFAOYSA-N 0 3 190.290 2.009 10 0 AEAEHN C[C@@H]1C[C@](O)(CC(C)(C)C)CCN1C 107142727 573377762 /nfs/dbraw/zinc/37/77/62/573377762.db2.gz PRCCULMORSGIBV-PWSUYJOCSA-N 0 3 199.338 2.268 10 0 AEAEHN C[C@@H]1CC[C@@H](N2CCC(=O)CC2)[C@@H]1C 83044829 573377813 /nfs/dbraw/zinc/37/78/13/573377813.db2.gz KSZKFGQQUGNDQB-CKYFFXLPSA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@@H](NCCF)c1ccc(O)cc1 308566087 573377973 /nfs/dbraw/zinc/37/79/73/573377973.db2.gz YIGGNSQJIDGROZ-LLVKDONJSA-N 0 3 197.253 2.402 10 0 AEAEHN C[C@@H]1CC[C@@H](NC2=NCCS2)[C@@H]1C 83045740 573378116 /nfs/dbraw/zinc/37/81/16/573378116.db2.gz VDFIUJDTTJWQNE-IWSPIJDZSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1CC[C@H](NC2=NCCS2)[C@@H]1C 83045736 573378379 /nfs/dbraw/zinc/37/83/79/573378379.db2.gz VDFIUJDTTJWQNE-HLTSFMKQSA-N 0 3 198.335 2.113 10 0 AEAEHN COc1nc(C)ccc1[C@@H](N)C(C)C 238372478 573380592 /nfs/dbraw/zinc/38/05/92/573380592.db2.gz MTYONTWIZMWKOF-JTQLQIEISA-N 0 3 194.278 2.054 10 0 AEAEHN CN[C@@H](O)c1cccc2ccccc12 259431826 573380292 /nfs/dbraw/zinc/38/02/92/573380292.db2.gz OBDNQRYJWJEXOI-LBPRGKRZSA-N 0 3 187.242 2.050 10 0 AEAEHN CC[C@@](N)(c1nccs1)C1CC1 83058089 573382791 /nfs/dbraw/zinc/38/27/91/573382791.db2.gz CJIRVIPROPMSMK-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CCCC1([C@@H](N)c2cncnc2)CC1 308566647 573381423 /nfs/dbraw/zinc/38/14/23/573381423.db2.gz AVKYTUVBLRZDHD-JTQLQIEISA-N 0 3 191.278 2.057 10 0 AEAEHN COc1cncc([C@H](N)C(C)(C)C)c1 124233788 573381433 /nfs/dbraw/zinc/38/14/33/573381433.db2.gz ZLVPSZSLOVASRX-JTQLQIEISA-N 0 3 194.278 2.136 10 0 AEAEHN COc1ccccc1[C@H]1CC=CN1 238374588 573381611 /nfs/dbraw/zinc/38/16/11/573381611.db2.gz USDARMIAACUISU-SNVBAGLBSA-N 0 3 175.231 2.243 10 0 AEAEHN CC[C@](C)(C(C)=O)N(C)C[C@@H]1C[C@@H]1C 308566358 573382590 /nfs/dbraw/zinc/38/25/90/573382590.db2.gz YMBAXEBUBJKLEA-ZMLRMANQSA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@](C)(C(C)=O)N(C)C[C@H]1C[C@H]1C 308566357 573382814 /nfs/dbraw/zinc/38/28/14/573382814.db2.gz YMBAXEBUBJKLEA-YUSALJHKSA-N 0 3 197.322 2.332 10 0 AEAEHN CN[C@@H](OC)c1ccc2c(c1)CCC2 259432770 573384720 /nfs/dbraw/zinc/38/47/20/573384720.db2.gz ZESIWBCYFLEXKY-LBPRGKRZSA-N 0 3 191.274 2.040 10 0 AEAEHN CCC(C)(C)NCc1ccc(F)cn1 308566914 573384878 /nfs/dbraw/zinc/38/48/78/573384878.db2.gz AXYMOGCLPKPDPL-UHFFFAOYSA-N 0 3 196.269 2.499 10 0 AEAEHN CCc1ccc([C@@H]2CCCCN2)nc1 259431934 573384920 /nfs/dbraw/zinc/38/49/20/573384920.db2.gz UDJMYOLGDYLZBU-NSHDSACASA-N 0 3 190.290 2.459 10 0 AEAEHN CCN[C@H](C)c1c[nH]c(CC(C)C)n1 308566705 573385153 /nfs/dbraw/zinc/38/51/53/573385153.db2.gz YSAOEEIYXOXTCV-SECBINFHSA-N 0 3 195.310 2.279 10 0 AEAEHN C[C@@H](NCCC(C)(C)C)c1cc[nH]n1 129949532 573386874 /nfs/dbraw/zinc/38/68/74/573386874.db2.gz YHDGZKUXUQADOF-SECBINFHSA-N 0 3 195.310 2.497 10 0 AEAEHN C[C@H](NCCC(C)(C)C)c1cc[nH]n1 129949316 573386728 /nfs/dbraw/zinc/38/67/28/573386728.db2.gz YHDGZKUXUQADOF-VIFPVBQESA-N 0 3 195.310 2.497 10 0 AEAEHN COc1coc([C@H]2CCCCN2)c1 238376433 573386895 /nfs/dbraw/zinc/38/68/95/573386895.db2.gz VEKZOVWPLIQWND-SECBINFHSA-N 0 3 181.235 2.103 10 0 AEAEHN CC(C)OCc1cccc2c1CNC2 258011898 573387612 /nfs/dbraw/zinc/38/76/12/573387612.db2.gz GREFYYQVCISAEP-UHFFFAOYSA-N 0 3 191.274 2.215 10 0 AEAEHN CC(C)[C@@H]1C[C@]1(N)c1ccco1 107160757 573387456 /nfs/dbraw/zinc/38/74/56/573387456.db2.gz OYUSWLDWRAQDFK-WCBMZHEXSA-N 0 3 165.236 2.110 10 0 AEAEHN Oc1ccc2cnc(C3CCC3)n2c1 258013524 573387849 /nfs/dbraw/zinc/38/78/49/573387849.db2.gz QLOLHIDFTVGUPI-UHFFFAOYSA-N 0 3 188.230 2.307 10 0 AEAEHN NCc1c(F)cc(F)c2ccoc12 258011479 573387898 /nfs/dbraw/zinc/38/78/98/573387898.db2.gz HLAGLJGKPIJMEY-UHFFFAOYSA-N 0 3 183.157 2.170 10 0 AEAEHN COC[C@@H](N)c1cc(C)ccc1Cl 238376285 573387995 /nfs/dbraw/zinc/38/79/95/573387995.db2.gz NLRMZOILXZUMJY-SNVBAGLBSA-N 0 3 199.681 2.295 10 0 AEAEHN CC(C)C[C@](C)(N)c1ccco1 107161695 573388214 /nfs/dbraw/zinc/38/82/14/573388214.db2.gz XCVQCXXCKZQELW-JTQLQIEISA-N 0 3 167.252 2.500 10 0 AEAEHN CC(C)[C@H]1C[C@@]1(N)c1ccco1 107160764 573388346 /nfs/dbraw/zinc/38/83/46/573388346.db2.gz OYUSWLDWRAQDFK-SCZZXKLOSA-N 0 3 165.236 2.110 10 0 AEAEHN CC(C)[C@@H]1C[C@@]1(N)c1ccco1 107160762 573389919 /nfs/dbraw/zinc/38/99/19/573389919.db2.gz OYUSWLDWRAQDFK-WPRPVWTQSA-N 0 3 165.236 2.110 10 0 AEAEHN C[C@@H](Nc1nccn1C)C1CCC1 124255152 573390827 /nfs/dbraw/zinc/39/08/27/573390827.db2.gz JAQSRRZXGSDQEA-MRVPVSSYSA-N 0 3 179.267 2.021 10 0 AEAEHN Cc1ccc([C@](C)(N)C2CC2)o1 107160730 573391341 /nfs/dbraw/zinc/39/13/41/573391341.db2.gz GEYNRZGHJCLWJL-SNVBAGLBSA-N 0 3 165.236 2.172 10 0 AEAEHN C[C@@H](N)c1cscc1Cl 238379067 573391709 /nfs/dbraw/zinc/39/17/09/573391709.db2.gz YGWGZFCOWMXQGL-SCSAIBSYSA-N 0 3 161.657 2.421 10 0 AEAEHN COc1ccc([C@H]2CCCCN2)o1 238379094 573391941 /nfs/dbraw/zinc/39/19/41/573391941.db2.gz PXKJAYHVHCOHMM-MRVPVSSYSA-N 0 3 181.235 2.103 10 0 AEAEHN N[C@H]1CCCNc2cccc(F)c21 257804452 573391995 /nfs/dbraw/zinc/39/19/95/573391995.db2.gz SMPHWFIPEBRJLD-QMMMGPOBSA-N 0 3 180.226 2.031 10 0 AEAEHN CSC(=N)c1ccc(N(C)C)cc1 258643387 573392050 /nfs/dbraw/zinc/39/20/50/573392050.db2.gz SHNJRVISSZUIQF-UHFFFAOYSA-N 0 3 194.303 2.441 10 0 AEAEHN CN[C@@H](OC)c1ccc(C)cc1C 259438459 573393568 /nfs/dbraw/zinc/39/35/68/573393568.db2.gz ZSDDWUNUMHABKA-NSHDSACASA-N 0 3 179.263 2.168 10 0 AEAEHN Cc1ccc(Cl)nc1[C@@H](C)N 238379689 573393343 /nfs/dbraw/zinc/39/33/43/573393343.db2.gz FHMVPOAXMBQBBI-ZCFIWIBFSA-N 0 3 170.643 2.063 10 0 AEAEHN C[C@H](Nc1nccn1C)C1CCC1 124254917 573394321 /nfs/dbraw/zinc/39/43/21/573394321.db2.gz JAQSRRZXGSDQEA-QMMMGPOBSA-N 0 3 179.267 2.021 10 0 AEAEHN CC[C@H](N)c1cc(C(C)C)on1 107162167 573394599 /nfs/dbraw/zinc/39/45/99/573394599.db2.gz WPPKMNUIQBYUCX-ZETCQYMHSA-N 0 3 168.240 2.208 10 0 AEAEHN Cc1ccc([C@H](CN)OC(C)C)s1 43244920 573394870 /nfs/dbraw/zinc/39/48/70/573394870.db2.gz HYNCCFPRQUYYBE-VIFPVBQESA-N 0 3 199.319 2.481 10 0 AEAEHN C[C@@H](N)c1ccc(F)c2c1OCCC2 238388044 573401048 /nfs/dbraw/zinc/40/10/48/573401048.db2.gz GQZQYXOFYFUMMB-SSDOTTSWSA-N 0 3 195.237 2.170 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cc(C)ccn1 86391325 573401056 /nfs/dbraw/zinc/40/10/56/573401056.db2.gz UUSRPUIXESSZIV-GXSJLCMTSA-N 0 3 178.279 2.436 10 0 AEAEHN COC1=CCc2cc(C)ccc2[C@@H]1N 238388547 573401119 /nfs/dbraw/zinc/40/11/19/573401119.db2.gz MPAMWGYUNGGMCZ-LBPRGKRZSA-N 0 3 189.258 2.081 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ncccc1C 86390808 573401123 /nfs/dbraw/zinc/40/11/23/573401123.db2.gz ZFGZZPQGRFVHMG-SCZZXKLOSA-N 0 3 178.279 2.436 10 0 AEAEHN CCn1ccnc1NC[C@@H](C)C1CC1 133311241 573400465 /nfs/dbraw/zinc/40/04/65/573400465.db2.gz ZLEIKSPVQSJNTL-SECBINFHSA-N 0 3 193.294 2.361 10 0 AEAEHN C[C@@H]1NC(C)(C)CN1c1ccccc1 238387830 573400745 /nfs/dbraw/zinc/40/07/45/573400745.db2.gz YUTMYJRPCNIZBH-SNVBAGLBSA-N 0 3 190.290 2.221 10 0 AEAEHN COc1cccc([C@@H](F)[C@H](C)N)c1 238388154 573400822 /nfs/dbraw/zinc/40/08/22/573400822.db2.gz BHPMGIWJUYLETA-XVKPBYJWSA-N 0 3 183.226 2.053 10 0 AEAEHN CC[C@H](C)[C@H](N)c1ncccc1C 86390810 573400870 /nfs/dbraw/zinc/40/08/70/573400870.db2.gz ZFGZZPQGRFVHMG-WPRPVWTQSA-N 0 3 178.279 2.436 10 0 AEAEHN COc1cccc([C@@H](F)[C@@H](C)N)c1 238388122 573402633 /nfs/dbraw/zinc/40/26/33/573402633.db2.gz BHPMGIWJUYLETA-XCBNKYQSSA-N 0 3 183.226 2.053 10 0 AEAEHN CC[C@@H](C)[C@@H](NC)c1ccccn1 86390505 573401714 /nfs/dbraw/zinc/40/17/14/573401714.db2.gz HQXUDBJAHKKYGB-MWLCHTKSSA-N 0 3 178.279 2.388 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ccccn1 86390477 573401773 /nfs/dbraw/zinc/40/17/73/573401773.db2.gz GAIFCYNPTUEANT-WCBMZHEXSA-N 0 3 164.252 2.128 10 0 AEAEHN c1noc(C2CC2)c1[C@@H]1CCCCN1 107179748 573402449 /nfs/dbraw/zinc/40/24/49/573402449.db2.gz CUDXOADZQYNLEE-JTQLQIEISA-N 0 3 192.262 2.367 10 0 AEAEHN Cc1cccc2c1CC[C@]2(F)CN 257810442 573403276 /nfs/dbraw/zinc/40/32/76/573403276.db2.gz AJZDZZDLDGDVTH-NSHDSACASA-N 0 3 179.238 2.065 10 0 AEAEHN C[C@H]1CN[C@@](C)(Cc2cccs2)O1 258343117 573403702 /nfs/dbraw/zinc/40/37/02/573403702.db2.gz FEUSEOGABVBUOS-WCBMZHEXSA-N 0 3 197.303 2.015 10 0 AEAEHN Cc1cccc([C@H](F)[C@@H](C)N)c1 258643865 573403878 /nfs/dbraw/zinc/40/38/78/573403878.db2.gz YXLKAWOHYASNQS-PSASIEDQSA-N 0 3 167.227 2.353 10 0 AEAEHN C[C@H](CCC1CC1)C[C@@H]1COCCN1 308576054 573407728 /nfs/dbraw/zinc/40/77/28/573407728.db2.gz HJRLJRIGPMSKTM-ZYHUDNBSSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@H]1CN[C@](C)(Cc2cccs2)O1 258343118 573404769 /nfs/dbraw/zinc/40/47/69/573404769.db2.gz FEUSEOGABVBUOS-WPRPVWTQSA-N 0 3 197.303 2.015 10 0 AEAEHN Cc1cccc2c1CC[C@@]2(F)CN 257810441 573406027 /nfs/dbraw/zinc/40/60/27/573406027.db2.gz AJZDZZDLDGDVTH-LLVKDONJSA-N 0 3 179.238 2.065 10 0 AEAEHN CC1(C)CNCc2ccc(F)cc21 118473427 573407098 /nfs/dbraw/zinc/40/70/98/573407098.db2.gz YBDFMBSJARRSFF-UHFFFAOYSA-N 0 3 179.238 2.207 10 0 AEAEHN CCC1(N[C@H](C)c2ncc[nH]2)CCC1 308574136 573407767 /nfs/dbraw/zinc/40/77/67/573407767.db2.gz CVSWQZZEHIUVCT-SECBINFHSA-N 0 3 193.294 2.393 10 0 AEAEHN C[C@@H](CC1CCC1)C[C@H]1COCCN1 308574875 573407252 /nfs/dbraw/zinc/40/72/52/573407252.db2.gz GTLDOCKRFOWMAE-JQWIXIFHSA-N 0 3 197.322 2.191 10 0 AEAEHN CCN[C@@H]1CCCc2sc(C)nc21 83117172 573407432 /nfs/dbraw/zinc/40/74/32/573407432.db2.gz FRCPZQZDZDKZND-MRVPVSSYSA-N 0 3 196.319 2.438 10 0 AEAEHN CCc1nc2c(s1)CCC[C@H]2NC 83117129 573407464 /nfs/dbraw/zinc/40/74/64/573407464.db2.gz YNKPWMSDQOIMMB-SSDOTTSWSA-N 0 3 196.319 2.302 10 0 AEAEHN C[C@H](CC1CCC1)C[C@@H]1COCCN1 308574877 573407608 /nfs/dbraw/zinc/40/76/08/573407608.db2.gz GTLDOCKRFOWMAE-ZYHUDNBSSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@H](CC1CCC1)C[C@H]1COCCN1 308574876 573407643 /nfs/dbraw/zinc/40/76/43/573407643.db2.gz GTLDOCKRFOWMAE-PWSUYJOCSA-N 0 3 197.322 2.191 10 0 AEAEHN Cc1noc2c(Cl)c(CN)ccc12 259444054 573411544 /nfs/dbraw/zinc/41/15/44/573411544.db2.gz PCDSEFSRPXBHCY-UHFFFAOYSA-N 0 3 196.637 2.248 10 0 AEAEHN CCCc1nc2c(s1)CCC[C@H]2N 83117065 573408247 /nfs/dbraw/zinc/40/82/47/573408247.db2.gz DDUWKWDDVBMJGT-SSDOTTSWSA-N 0 3 196.319 2.432 10 0 AEAEHN COc1ccc(CN(C)C)cc1Cl 238389507 573408628 /nfs/dbraw/zinc/40/86/28/573408628.db2.gz QCPPBDARMSDZLI-UHFFFAOYSA-N 0 3 199.681 2.410 10 0 AEAEHN CCN[C@H]1CCCc2sc(C)nc21 83117173 573409637 /nfs/dbraw/zinc/40/96/37/573409637.db2.gz FRCPZQZDZDKZND-QMMMGPOBSA-N 0 3 196.319 2.438 10 0 AEAEHN c1ccc2c3c(cnc2c1)NCCCN3 162165095 573409649 /nfs/dbraw/zinc/40/96/49/573409649.db2.gz OKRYQLYTHAQOEM-UHFFFAOYSA-N 0 3 199.257 2.462 10 0 AEAEHN COC[C@@H](C)N[C@H](C)c1occc1C 308577513 573410047 /nfs/dbraw/zinc/41/00/47/573410047.db2.gz DYWXLFWAUXJIFY-NXEZZACHSA-N 0 3 197.278 2.274 10 0 AEAEHN COc1ccc([C@H](F)[C@H](C)N)cc1 257811141 573409912 /nfs/dbraw/zinc/40/99/12/573409912.db2.gz AWPNUPXFVYFMGX-OIBJUYFYSA-N 0 3 183.226 2.053 10 0 AEAEHN CCN[C@H](C)c1cn(CC)c(CC)n1 308578034 573411371 /nfs/dbraw/zinc/41/13/71/573411371.db2.gz IJYROKHHDLHPFF-SECBINFHSA-N 0 3 195.310 2.136 10 0 AEAEHN CC[C@@H](N)c1cncn1CCC(C)C 129966862 573414504 /nfs/dbraw/zinc/41/45/04/573414504.db2.gz LFBAXKJEWJQQAS-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CCN[C@H](CC)c1ccncc1F 133574833 573413135 /nfs/dbraw/zinc/41/31/35/573413135.db2.gz OQLHIDOYADMPJX-SNVBAGLBSA-N 0 3 182.242 2.281 10 0 AEAEHN COc1cc([C@@H]2CCCCN2)co1 238381609 573413487 /nfs/dbraw/zinc/41/34/87/573413487.db2.gz LEWACDAWSFJAJY-VIFPVBQESA-N 0 3 181.235 2.103 10 0 AEAEHN CCC[C@@H](NC)c1ccncc1F 133572249 573413703 /nfs/dbraw/zinc/41/37/03/573413703.db2.gz FHHNLNJJRVAXPP-SNVBAGLBSA-N 0 3 182.242 2.281 10 0 AEAEHN N[C@@H]1CCCc2ccc(Cl)nc21 118594089 573414298 /nfs/dbraw/zinc/41/42/98/573414298.db2.gz IEVYMQKRNGSTKJ-SSDOTTSWSA-N 0 3 182.654 2.071 10 0 AEAEHN CCn1ccc(CNC(C)(C)CF)c1 308579802 573416107 /nfs/dbraw/zinc/41/61/07/573416107.db2.gz GCIJPYDJXISCKV-UHFFFAOYSA-N 0 3 198.285 2.346 10 0 AEAEHN Cc1nc(C2CCC2)sc1CN 83136345 573418521 /nfs/dbraw/zinc/41/85/21/573418521.db2.gz UHFGTIKNTUVEKL-UHFFFAOYSA-N 0 3 182.292 2.178 10 0 AEAEHN C[C@@H](N)c1c(F)ccc2c1OCCC2 238383789 573418418 /nfs/dbraw/zinc/41/84/18/573418418.db2.gz LSPJQOWSQBZJQQ-SSDOTTSWSA-N 0 3 195.237 2.170 10 0 AEAEHN C[C@H](N)c1csc(C2CCC2)n1 83123465 573418441 /nfs/dbraw/zinc/41/84/41/573418441.db2.gz KEVLSSVSESHRSN-LURJTMIESA-N 0 3 182.292 2.430 10 0 AEAEHN C[C@H](N)c1cnc(C2CCC2)s1 83123441 573420259 /nfs/dbraw/zinc/42/02/59/573420259.db2.gz MFWFOJOMXOKINE-LURJTMIESA-N 0 3 182.292 2.430 10 0 AEAEHN Cc1cccc2c1CC[C@](F)(CN)C2 257810863 573421330 /nfs/dbraw/zinc/42/13/30/573421330.db2.gz ATUACBVKICBJBX-GFCCVEGCSA-N 0 3 193.265 2.151 10 0 AEAEHN C[C@@]1(C2CCCCCC2)CC(=O)CN1 258027602 573426160 /nfs/dbraw/zinc/42/61/60/573426160.db2.gz IMJNSYPVMDQTKP-LBPRGKRZSA-N 0 3 195.306 2.278 10 0 AEAEHN Cc1ccc(OC[C@](C)(F)CN)cc1 257811534 573425429 /nfs/dbraw/zinc/42/54/29/573425429.db2.gz BEPLKLRMPUNTPE-LLVKDONJSA-N 0 3 197.253 2.061 10 0 AEAEHN Cc1ccc(N(C)C)c(C2(N)CC2)c1 258027736 573425593 /nfs/dbraw/zinc/42/55/93/573425593.db2.gz ITELARCZGNVGQA-UHFFFAOYSA-N 0 3 190.290 2.009 10 0 AEAEHN CC[C@H](N)c1sccc1OC 118825509 573425841 /nfs/dbraw/zinc/42/58/41/573425841.db2.gz KGKCUODDZQGRPG-LURJTMIESA-N 0 3 171.265 2.167 10 0 AEAEHN CNCc1c[nH]nc1C1CCCCC1 86442783 573425961 /nfs/dbraw/zinc/42/59/61/573425961.db2.gz LEAQJLOVYNFPLR-UHFFFAOYSA-N 0 3 193.294 2.177 10 0 AEAEHN Cc1cc2c(s1)N(C)CCN[C@H]2C 238390510 573426054 /nfs/dbraw/zinc/42/60/54/573426054.db2.gz QZTQNISMMIOSRL-QMMMGPOBSA-N 0 3 196.319 2.157 10 0 AEAEHN CC(C)NCc1cc(C(C)(C)C)n[nH]1 50479227 573428372 /nfs/dbraw/zinc/42/83/72/573428372.db2.gz IJEMDRVDUXTWHX-UHFFFAOYSA-N 0 3 195.310 2.205 10 0 AEAEHN CCCNCc1cc(C(C)(C)C)n[nH]1 50479145 573427956 /nfs/dbraw/zinc/42/79/56/573427956.db2.gz UKNOMIUNPRLACW-UHFFFAOYSA-N 0 3 195.310 2.207 10 0 AEAEHN CC(C)NCc1cc(C(C)C)n[nH]1 50479197 573428198 /nfs/dbraw/zinc/42/81/98/573428198.db2.gz FDHUZEDTNZDDOS-UHFFFAOYSA-N 0 3 181.283 2.031 10 0 AEAEHN CCCCNCc1cc(CCC)n[nH]1 50479418 573428216 /nfs/dbraw/zinc/42/82/16/573428216.db2.gz SOXCEPAQJBCOKL-UHFFFAOYSA-N 0 3 195.310 2.252 10 0 AEAEHN COc1cccc([C@H](N)C(C)(C)C)n1 238392795 573428270 /nfs/dbraw/zinc/42/82/70/573428270.db2.gz KKZHPGVSKJMVQN-JTQLQIEISA-N 0 3 194.278 2.136 10 0 AEAEHN C[C@@H](O)c1cnccc1NC(C)(C)C 238392996 573428638 /nfs/dbraw/zinc/42/86/38/573428638.db2.gz ZQKYDKCRJPMTEF-MRVPVSSYSA-N 0 3 194.278 2.345 10 0 AEAEHN CC[C@@H](N)c1sccc1OC 118825493 573428789 /nfs/dbraw/zinc/42/87/89/573428789.db2.gz KGKCUODDZQGRPG-ZCFIWIBFSA-N 0 3 171.265 2.167 10 0 AEAEHN C[C@@](F)(CN)CC1CCSCC1 257812284 573429563 /nfs/dbraw/zinc/42/95/63/573429563.db2.gz BQIODGNXVUACOJ-VIFPVBQESA-N 0 3 191.315 2.207 10 0 AEAEHN Cc1ccsc1[C@@H](CN)OC(C)C 43249878 573431714 /nfs/dbraw/zinc/43/17/14/573431714.db2.gz KWXPYXQTMRPOMN-SECBINFHSA-N 0 3 199.319 2.481 10 0 AEAEHN Cc1ccccc1C[C@H](F)C1(N)CC1 257812543 573431739 /nfs/dbraw/zinc/43/17/39/573431739.db2.gz BSYWWJBACDGPDK-NSHDSACASA-N 0 3 193.265 2.367 10 0 AEAEHN C[C@@H]1NCO[C@@H]1c1ccc(Cl)cc1 238393885 573431776 /nfs/dbraw/zinc/43/17/76/573431776.db2.gz OXTKOXITWRPLTG-XVKPBYJWSA-N 0 3 197.665 2.347 10 0 AEAEHN C[C@H](c1cccc(N)c1)N1CC=CC1 118881907 573432387 /nfs/dbraw/zinc/43/23/87/573432387.db2.gz PWGCQLCUTAAQQN-SNVBAGLBSA-N 0 3 188.274 2.202 10 0 AEAEHN CC(C)(N)[C@@H](F)c1ccc(O)cc1 257812375 573432634 /nfs/dbraw/zinc/43/26/34/573432634.db2.gz BNYQWWRVCKBXQE-VIFPVBQESA-N 0 3 183.226 2.140 10 0 AEAEHN CC(F)(F)Oc1cccc2c1CNC2 258031344 573433160 /nfs/dbraw/zinc/43/31/60/573433160.db2.gz NYYBPABKALYEDL-UHFFFAOYSA-N 0 3 199.200 2.281 10 0 AEAEHN C[C@@H]1NCO[C@H]1c1ccc(Cl)cc1 238393917 573433240 /nfs/dbraw/zinc/43/32/40/573433240.db2.gz OXTKOXITWRPLTG-OIBJUYFYSA-N 0 3 197.665 2.347 10 0 AEAEHN Cc1ccsc1[C@H](CN)OC(C)C 43249879 573433300 /nfs/dbraw/zinc/43/33/00/573433300.db2.gz KWXPYXQTMRPOMN-VIFPVBQESA-N 0 3 199.319 2.481 10 0 AEAEHN C[C@@H]1NCS[C@H]1c1ccccc1 238393969 573433338 /nfs/dbraw/zinc/43/33/38/573433338.db2.gz YDMGIEXWRINSAQ-WCBMZHEXSA-N 0 3 179.288 2.410 10 0 AEAEHN C[C@@H](c1cccc(N)c1)N1CC=CC1 118881905 573433752 /nfs/dbraw/zinc/43/37/52/573433752.db2.gz PWGCQLCUTAAQQN-JTQLQIEISA-N 0 3 188.274 2.202 10 0 AEAEHN CCc1sc([C@@H](C)N)nc1C 107224651 573433753 /nfs/dbraw/zinc/43/37/53/573433753.db2.gz FWZJMTMMXMULKC-RXMQYKEDSA-N 0 3 170.281 2.034 10 0 AEAEHN C[C@@H]1NC[C@@]1(Cl)c1ccccc1 238394669 573435411 /nfs/dbraw/zinc/43/54/11/573435411.db2.gz AFGJHDONLUTIOD-WPRPVWTQSA-N 0 3 181.666 2.112 10 0 AEAEHN CNCc1cnc(Cl)c(Cl)c1 118855193 573435557 /nfs/dbraw/zinc/43/55/57/573435557.db2.gz GSCKFVJPXUJFTQ-UHFFFAOYSA-N 0 3 191.061 2.108 10 0 AEAEHN CCN[C@@H](C=C(C)C)c1cncn1C 126229428 573435584 /nfs/dbraw/zinc/43/55/84/573435584.db2.gz DASJRKYIJZVZBY-JTQLQIEISA-N 0 3 193.294 2.037 10 0 AEAEHN CCc1noc([C@H]2CCCCN2)c1C 107235461 573435680 /nfs/dbraw/zinc/43/56/80/573435680.db2.gz MOBRSWLNHCPJML-SNVBAGLBSA-N 0 3 194.278 2.360 10 0 AEAEHN CC(C)n1nc(CN)cc1C(C)(C)C 257813339 573435749 /nfs/dbraw/zinc/43/57/49/573435749.db2.gz CCPVHGNYLHPGDW-UHFFFAOYSA-N 0 3 195.310 2.220 10 0 AEAEHN c1c(C2CC2)noc1[C@H]1CCCCN1 107233780 573435861 /nfs/dbraw/zinc/43/58/61/573435861.db2.gz QOJMENKUKMCRGX-SECBINFHSA-N 0 3 192.262 2.367 10 0 AEAEHN CCN[C@H](C=C(C)C)c1cncn1C 126229647 573436024 /nfs/dbraw/zinc/43/60/24/573436024.db2.gz DASJRKYIJZVZBY-SNVBAGLBSA-N 0 3 193.294 2.037 10 0 AEAEHN Cc1cccc(OC[C@@](C)(F)CN)c1 257812949 573436699 /nfs/dbraw/zinc/43/66/99/573436699.db2.gz BYKKWAVOHPEFNY-NSHDSACASA-N 0 3 197.253 2.061 10 0 AEAEHN CC(C)(C)c1cnc(Cl)c(CN)c1 257812825 573436723 /nfs/dbraw/zinc/43/67/23/573436723.db2.gz AOPBDZVKOSHNNW-UHFFFAOYSA-N 0 3 198.697 2.491 10 0 AEAEHN c1c(C2CC2)noc1[C@@H]1CCCCN1 107233777 573437826 /nfs/dbraw/zinc/43/78/26/573437826.db2.gz QOJMENKUKMCRGX-VIFPVBQESA-N 0 3 192.262 2.367 10 0 AEAEHN c1ccn(NC2=NCCCCC2)c1 86456076 573437897 /nfs/dbraw/zinc/43/78/97/573437897.db2.gz AHRYKGNVBHAXFF-UHFFFAOYSA-N 0 3 177.251 2.004 10 0 AEAEHN CCNc1ncc(C)n1C(C)C 258344868 573438080 /nfs/dbraw/zinc/43/80/80/573438080.db2.gz YAQILMKODLSTEK-UHFFFAOYSA-N 0 3 167.256 2.204 10 0 AEAEHN CC(C)C[C@@H](O)[C@H](N)c1ccccc1 126222227 573438151 /nfs/dbraw/zinc/43/81/51/573438151.db2.gz KGNMXRHRPYHDCL-VXGBXAGGSA-N 0 3 193.290 2.093 10 0 AEAEHN Cc1cccc(OC[C@](C)(F)CN)c1 257812947 573438335 /nfs/dbraw/zinc/43/83/35/573438335.db2.gz BYKKWAVOHPEFNY-LLVKDONJSA-N 0 3 197.253 2.061 10 0 AEAEHN Cc1ccc(C)n1NC1=NCCCC1 86456080 573438419 /nfs/dbraw/zinc/43/84/19/573438419.db2.gz AFNRJCUXBPNJQX-UHFFFAOYSA-N 0 3 191.278 2.231 10 0 AEAEHN COc1ccc([C@@H](C)N(C)C)cc1O 238395632 573438503 /nfs/dbraw/zinc/43/85/03/573438503.db2.gz QTMJAQZWHZZPBC-MRVPVSSYSA-N 0 3 195.262 2.023 10 0 AEAEHN CCc1n[nH]c([C@@H]2CCCCN2)c1C 107234776 573438703 /nfs/dbraw/zinc/43/87/03/573438703.db2.gz VVXSLVHUGABOFD-JTQLQIEISA-N 0 3 193.294 2.095 10 0 AEAEHN Fc1ccccc1C12CC(CCN1)C2 258021350 573438909 /nfs/dbraw/zinc/43/89/09/573438909.db2.gz PXPOPKGJBOTFOX-UHFFFAOYSA-N 0 3 191.249 2.424 10 0 AEAEHN CC(C)Sc1ccc([C@@H](N)O)cc1 259451377 573439449 /nfs/dbraw/zinc/43/94/49/573439449.db2.gz OCZUUDFUJZKYMO-JTQLQIEISA-N 0 3 197.303 2.137 10 0 AEAEHN C=Cc1cccc2c1[C@H](C)NC2 238396396 573439452 /nfs/dbraw/zinc/43/94/52/573439452.db2.gz PNCFXHSUWMBXGG-QMMMGPOBSA-N 0 3 159.232 2.494 10 0 AEAEHN Cc1noc([C@H]2CCCCN2)c1C 107227624 573439474 /nfs/dbraw/zinc/43/94/74/573439474.db2.gz ZXUOEPMMHGJUAU-SECBINFHSA-N 0 3 180.251 2.106 10 0 AEAEHN CCc1noc([C@@H]2CCCCN2)c1C 107235458 573439501 /nfs/dbraw/zinc/43/95/01/573439501.db2.gz MOBRSWLNHCPJML-JTQLQIEISA-N 0 3 194.278 2.360 10 0 AEAEHN C=Cc1cccc2c1CN[C@H]2C 238395532 573439712 /nfs/dbraw/zinc/43/97/12/573439712.db2.gz GFZSHJFPMOMPFR-QMMMGPOBSA-N 0 3 159.232 2.494 10 0 AEAEHN CCCC[C@@H](O)[C@H](N)c1ccccc1 126223096 573439751 /nfs/dbraw/zinc/43/97/51/573439751.db2.gz QFKPUTLJMISMAP-VXGBXAGGSA-N 0 3 193.290 2.238 10 0 AEAEHN C[C@@H]1NC[C@]1(Cl)c1ccccc1 238395367 573439771 /nfs/dbraw/zinc/43/97/71/573439771.db2.gz AFGJHDONLUTIOD-WCBMZHEXSA-N 0 3 181.666 2.112 10 0 AEAEHN CC(C)Sc1ccc([C@H](N)O)cc1 259451379 573439899 /nfs/dbraw/zinc/43/98/99/573439899.db2.gz OCZUUDFUJZKYMO-SNVBAGLBSA-N 0 3 197.303 2.137 10 0 AEAEHN CC(C)C[C@H](O)[C@@H](N)c1ccccc1 126222449 573440846 /nfs/dbraw/zinc/44/08/46/573440846.db2.gz KGNMXRHRPYHDCL-RYUDHWBXSA-N 0 3 193.290 2.093 10 0 AEAEHN Cc1noc([C@@H]2CCCCN2)c1C 107227621 573441208 /nfs/dbraw/zinc/44/12/08/573441208.db2.gz ZXUOEPMMHGJUAU-VIFPVBQESA-N 0 3 180.251 2.106 10 0 AEAEHN CC[C@H]1CO[C@H](c2ccccc2)N1 210075829 573441305 /nfs/dbraw/zinc/44/13/05/573441305.db2.gz HDGYFMLSNJDSDJ-WDEREUQCSA-N 0 3 177.247 2.084 10 0 AEAEHN CC[C@@H]1CO[C@@H](c2ccccc2)N1 210075860 573441622 /nfs/dbraw/zinc/44/16/22/573441622.db2.gz HDGYFMLSNJDSDJ-MNOVXSKESA-N 0 3 177.247 2.084 10 0 AEAEHN CO[C@H](C)CN[C@@H](C)c1occc1C 308586648 573442600 /nfs/dbraw/zinc/44/26/00/573442600.db2.gz IPXDQANSFKDMEV-ZJUUUORDSA-N 0 3 197.278 2.274 10 0 AEAEHN F[C@H]1CCN[C@H](c2ccccc2)C1 107255779 573443003 /nfs/dbraw/zinc/44/30/03/573443003.db2.gz PEHSFZPHVJQCSN-QWRGUYRKSA-N 0 3 179.238 2.449 10 0 AEAEHN CCCCN[C@@H](C)c1ccnc(C)n1 308585957 573443058 /nfs/dbraw/zinc/44/30/58/573443058.db2.gz IITFQUHBGGZOEH-VIFPVBQESA-N 0 3 193.294 2.236 10 0 AEAEHN Cc1cccc([C@]2(C)NC[C@H](C)O2)c1 258657660 573444036 /nfs/dbraw/zinc/44/40/36/573444036.db2.gz SJNVYZHCEWUTPV-CMPLNLGQSA-N 0 3 191.274 2.176 10 0 AEAEHN CO[C@@H](C)CN[C@H](C)c1occc1C 308586646 573444481 /nfs/dbraw/zinc/44/44/81/573444481.db2.gz IPXDQANSFKDMEV-VHSXEESVSA-N 0 3 197.278 2.274 10 0 AEAEHN CCCn1cncc1[C@H](N)CC(C)C 130054482 573444560 /nfs/dbraw/zinc/44/45/60/573444560.db2.gz GIAGTQVGQMOHRM-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN Nc1ccc2nc(CCCF)[nH]c2c1 107255685 573444798 /nfs/dbraw/zinc/44/47/98/573444798.db2.gz JREPFHAMFHHGJX-UHFFFAOYSA-N 0 3 193.225 2.047 10 0 AEAEHN F[C@@H]1CCN[C@H](c2ccccc2)C1 107255771 573445710 /nfs/dbraw/zinc/44/57/10/573445710.db2.gz PEHSFZPHVJQCSN-MNOVXSKESA-N 0 3 179.238 2.449 10 0 AEAEHN CNC[C@](C)(F)c1cccc(C)c1 257816449 573447037 /nfs/dbraw/zinc/44/70/37/573447037.db2.gz BQMTVRRJUTXGIN-NSHDSACASA-N 0 3 181.254 2.399 10 0 AEAEHN NC[C@@H](OC1CCC1)c1ccsc1 50519231 573447451 /nfs/dbraw/zinc/44/74/51/573447451.db2.gz LIQMJEUEXUXPOW-SNVBAGLBSA-N 0 3 197.303 2.317 10 0 AEAEHN C[C@@H](NCc1ccon1)[C@@H]1CC1(C)C 308588214 573447474 /nfs/dbraw/zinc/44/74/74/573447474.db2.gz JGRKPLPLPSTYLJ-SCZZXKLOSA-N 0 3 194.278 2.199 10 0 AEAEHN CC1=C(N2CCOCC2)CCCC1 136033977 573447548 /nfs/dbraw/zinc/44/75/48/573447548.db2.gz RLJHBKJMCSBWAU-UHFFFAOYSA-N 0 3 181.279 2.167 10 0 AEAEHN CCc1ccccc1[C@H](F)CNC 257816436 573448090 /nfs/dbraw/zinc/44/80/90/573448090.db2.gz BPXWYOYQCSUZBT-LLVKDONJSA-N 0 3 181.254 2.479 10 0 AEAEHN F[C@@H]1CCN[C@@H](c2ccccc2)C1 107255774 573448165 /nfs/dbraw/zinc/44/81/65/573448165.db2.gz PEHSFZPHVJQCSN-GHMZBOCLSA-N 0 3 179.238 2.449 10 0 AEAEHN C[C@@H](O)C[C@@H](c1ccccc1)N(C)C 308587503 573448194 /nfs/dbraw/zinc/44/81/94/573448194.db2.gz MZCUSPBLXSOEOZ-PWSUYJOCSA-N 0 3 193.290 2.060 10 0 AEAEHN Cc1cccc([C@]2(C)NC[C@@H](C)O2)c1 258657770 573448397 /nfs/dbraw/zinc/44/83/97/573448397.db2.gz SJNVYZHCEWUTPV-ZYHUDNBSSA-N 0 3 191.274 2.176 10 0 AEAEHN C[C@H](N)[C@@H](OC1CCC1)c1ccco1 50519337 573448598 /nfs/dbraw/zinc/44/85/98/573448598.db2.gz XJTHLEUIHHQFOJ-GZMMTYOYSA-N 0 3 195.262 2.237 10 0 AEAEHN CC(C)c1nc(C(C)(C)N)cs1 83276164 573448650 /nfs/dbraw/zinc/44/86/50/573448650.db2.gz JGTXUYCAEKCNTR-UHFFFAOYSA-N 0 3 184.308 2.460 10 0 AEAEHN CCC(CC)n1cncc1[C@@H](C)N 130051919 573448708 /nfs/dbraw/zinc/44/87/08/573448708.db2.gz RFWXZJYDYHFBIT-MRVPVSSYSA-N 0 3 181.283 2.264 10 0 AEAEHN C[C@H](NCc1ccc[nH]1)c1ccc[nH]1 308589653 573448748 /nfs/dbraw/zinc/44/87/48/573448748.db2.gz JUYRMMBEZCPTIY-VIFPVBQESA-N 0 3 189.262 2.194 10 0 AEAEHN C[C@H](NCc1ccon1)[C@H]1CC1(C)C 308588215 573448767 /nfs/dbraw/zinc/44/87/67/573448767.db2.gz JGRKPLPLPSTYLJ-WCBMZHEXSA-N 0 3 194.278 2.199 10 0 AEAEHN c1nc([C@H]2CCCCCN2)cs1 83275102 573448836 /nfs/dbraw/zinc/44/88/36/573448836.db2.gz YZTMPPQHJTVDED-MRVPVSSYSA-N 0 3 182.292 2.348 10 0 AEAEHN Cc1cc(CN)c(Cl)s1 83269501 573448927 /nfs/dbraw/zinc/44/89/27/573448927.db2.gz KCGAKBDZSGZKGI-UHFFFAOYSA-N 0 3 161.657 2.169 10 0 AEAEHN CN[C@H](CCCCOC)c1ccco1 308589432 573448974 /nfs/dbraw/zinc/44/89/74/573448974.db2.gz NTQMSBOHXKGDMO-SNVBAGLBSA-N 0 3 197.278 2.357 10 0 AEAEHN CCc1nc([C@H]2CCCN2)cs1 83275050 573449138 /nfs/dbraw/zinc/44/91/38/573449138.db2.gz CXSITYNJQRSRPI-SSDOTTSWSA-N 0 3 182.292 2.130 10 0 AEAEHN CC(C)c1nc(C2(N)CC2)cs1 83275056 573449198 /nfs/dbraw/zinc/44/91/98/573449198.db2.gz ZLSQTOJQLACMAG-UHFFFAOYSA-N 0 3 182.292 2.214 10 0 AEAEHN NC[C@H](F)c1c[nH]c2ccccc12 107257280 573449286 /nfs/dbraw/zinc/44/92/86/573449286.db2.gz QNVILPGXBFRLDU-VIFPVBQESA-N 0 3 178.210 2.137 10 0 AEAEHN NCc1coc2c1C(F)(F)CCC2 107257271 573449539 /nfs/dbraw/zinc/44/95/39/573449539.db2.gz XUVWOPUICSCYKV-UHFFFAOYSA-N 0 3 187.189 2.166 10 0 AEAEHN CNC[C@@](C)(F)c1cccc(C)c1 257816448 573449663 /nfs/dbraw/zinc/44/96/63/573449663.db2.gz BQMTVRRJUTXGIN-LLVKDONJSA-N 0 3 181.254 2.399 10 0 AEAEHN NC[C@H](F)c1c(F)cccc1Cl 107257898 573449808 /nfs/dbraw/zinc/44/98/08/573449808.db2.gz AKEBADDZVSJTKG-ZETCQYMHSA-N 0 3 191.608 2.448 10 0 AEAEHN N[C@@H](COC1CCC1)c1ccccc1 50520244 573449953 /nfs/dbraw/zinc/44/99/53/573449953.db2.gz LFFIOJGGBBDHRW-LBPRGKRZSA-N 0 3 191.274 2.256 10 0 AEAEHN NC[C@@H](OC1CCC1)c1cccs1 50519333 573449967 /nfs/dbraw/zinc/44/99/67/573449967.db2.gz JKQGWDVIXQPTBO-SECBINFHSA-N 0 3 197.303 2.317 10 0 AEAEHN C[C@@H](N)[C@@H](OC1CCC1)c1ccco1 50519338 573450058 /nfs/dbraw/zinc/45/00/58/573450058.db2.gz XJTHLEUIHHQFOJ-LDYMZIIASA-N 0 3 195.262 2.237 10 0 AEAEHN NC[C@]1(F)CCCc2ccccc21 107257752 573450104 /nfs/dbraw/zinc/45/01/04/573450104.db2.gz LLDOVXONMPGWFK-LLVKDONJSA-N 0 3 179.238 2.146 10 0 AEAEHN CCc1nc([C@@H]2CCCN2)cs1 83275049 573450203 /nfs/dbraw/zinc/45/02/03/573450203.db2.gz CXSITYNJQRSRPI-ZETCQYMHSA-N 0 3 182.292 2.130 10 0 AEAEHN C[C@H]1Cc2cc(F)cc([C@H](C)N)c2O1 259452086 573450367 /nfs/dbraw/zinc/45/03/67/573450367.db2.gz MAJBFUAIPLAXAV-BQBZGAKWSA-N 0 3 195.237 2.169 10 0 AEAEHN FC(F)[C@H]1CN[C@@H]1c1ccccc1 257817383 573450470 /nfs/dbraw/zinc/45/04/70/573450470.db2.gz DQWKNZKEZKJRJR-DTWKUNHWSA-N 0 3 183.201 2.212 10 0 AEAEHN C[C@H](N)[C@H](OC1CCC1)c1ccco1 50519335 573450572 /nfs/dbraw/zinc/45/05/72/573450572.db2.gz XJTHLEUIHHQFOJ-KWQFWETISA-N 0 3 195.262 2.237 10 0 AEAEHN FC(F)[C@@H]1CN[C@H]1c1ccccc1 257817381 573450582 /nfs/dbraw/zinc/45/05/82/573450582.db2.gz DQWKNZKEZKJRJR-BDAKNGLRSA-N 0 3 183.201 2.212 10 0 AEAEHN C[C@@H](NCc1ccc[nH]1)c1ccc[nH]1 308589650 573450757 /nfs/dbraw/zinc/45/07/57/573450757.db2.gz JUYRMMBEZCPTIY-SECBINFHSA-N 0 3 189.262 2.194 10 0 AEAEHN C[C@H]1Cc2cc(F)cc([C@@H](C)N)c2O1 259452087 573450769 /nfs/dbraw/zinc/45/07/69/573450769.db2.gz MAJBFUAIPLAXAV-NKWVEPMBSA-N 0 3 195.237 2.169 10 0 AEAEHN CC(C)(N)c1csc(C2CC2)n1 83275059 573450777 /nfs/dbraw/zinc/45/07/77/573450777.db2.gz FNUZXZYMULQVPN-UHFFFAOYSA-N 0 3 182.292 2.214 10 0 AEAEHN FC(F)[C@H]1CN[C@H]1c1ccccc1 257817384 573450980 /nfs/dbraw/zinc/45/09/80/573450980.db2.gz DQWKNZKEZKJRJR-IUCAKERBSA-N 0 3 183.201 2.212 10 0 AEAEHN NCC1(F)CCCCCC1 107257575 573451008 /nfs/dbraw/zinc/45/10/08/573451008.db2.gz NUVSMBBMTNODAX-UHFFFAOYSA-N 0 3 145.221 2.008 10 0 AEAEHN C[C@](F)(CN)c1c[nH]c2ccccc12 107258289 573451023 /nfs/dbraw/zinc/45/10/23/573451023.db2.gz FTAAAYYAEAVUTO-NSHDSACASA-N 0 3 192.237 2.311 10 0 AEAEHN NC[C@@]1(F)CCCc2ccccc21 107257749 573451062 /nfs/dbraw/zinc/45/10/62/573451062.db2.gz LLDOVXONMPGWFK-NSHDSACASA-N 0 3 179.238 2.146 10 0 AEAEHN CSC(=N)N(C)c1ccc(O)cc1 238400817 573451415 /nfs/dbraw/zinc/45/14/15/573451415.db2.gz NLYJUHMJJAUWBI-UHFFFAOYSA-N 0 3 196.275 2.126 10 0 AEAEHN Cc1ccc2c(c1)CC[C@@]2(F)CN 257817481 573451441 /nfs/dbraw/zinc/45/14/41/573451441.db2.gz DSFAJTYYYLKNLX-LLVKDONJSA-N 0 3 179.238 2.065 10 0 AEAEHN N[C@H](COC1CCC1)c1ccccc1 50520243 573451443 /nfs/dbraw/zinc/45/14/43/573451443.db2.gz LFFIOJGGBBDHRW-GFCCVEGCSA-N 0 3 191.274 2.256 10 0 AEAEHN C[C@H](NCc1ccon1)[C@@H]1CC1(C)C 308588216 573451501 /nfs/dbraw/zinc/45/15/01/573451501.db2.gz JGRKPLPLPSTYLJ-WPRPVWTQSA-N 0 3 194.278 2.199 10 0 AEAEHN Cc1ccc([C@H](CN)OC2CCC2)o1 50519456 573451506 /nfs/dbraw/zinc/45/15/06/573451506.db2.gz IYFAHPBQDCUINK-NSHDSACASA-N 0 3 195.262 2.157 10 0 AEAEHN CC(=O)[C@@H](N1CCCCC1)C(C)(C)C 259455030 573454103 /nfs/dbraw/zinc/45/41/03/573454103.db2.gz WKEVLXJHFVIOKH-LLVKDONJSA-N 0 3 197.322 2.476 10 0 AEAEHN NC[C@H](OC1CCC1)c1cccs1 50519334 573452387 /nfs/dbraw/zinc/45/23/87/573452387.db2.gz JKQGWDVIXQPTBO-VIFPVBQESA-N 0 3 197.303 2.317 10 0 AEAEHN NC[C@@H](F)c1c[nH]c2ccccc12 107257277 573452522 /nfs/dbraw/zinc/45/25/22/573452522.db2.gz QNVILPGXBFRLDU-SECBINFHSA-N 0 3 178.210 2.137 10 0 AEAEHN c1nc([C@@H]2CCCCCN2)cs1 83275101 573452780 /nfs/dbraw/zinc/45/27/80/573452780.db2.gz YZTMPPQHJTVDED-QMMMGPOBSA-N 0 3 182.292 2.348 10 0 AEAEHN C[C@@](F)(CN)c1c[nH]c2ccccc12 107258287 573453116 /nfs/dbraw/zinc/45/31/16/573453116.db2.gz FTAAAYYAEAVUTO-LLVKDONJSA-N 0 3 192.237 2.311 10 0 AEAEHN CC1(C)CN[C@@](C)(c2ccccc2)O1 258360972 573454099 /nfs/dbraw/zinc/45/40/99/573454099.db2.gz GFZJPQSJXPJFGV-GFCCVEGCSA-N 0 3 191.274 2.258 10 0 AEAEHN NC[C@@H](F)c1c(F)cccc1Cl 107257894 573454126 /nfs/dbraw/zinc/45/41/26/573454126.db2.gz AKEBADDZVSJTKG-SSDOTTSWSA-N 0 3 191.608 2.448 10 0 AEAEHN Cc1ccoc1[C@H](C)N[C@@H](C)[C@@H](C)O 308590078 573454253 /nfs/dbraw/zinc/45/42/53/573454253.db2.gz JZQQRSCUZSTJPR-LPEHRKFASA-N 0 3 197.278 2.008 10 0 AEAEHN Cc1ccoc1[C@H](C)N[C@@H](C)[C@H](C)O 308590074 573456808 /nfs/dbraw/zinc/45/68/08/573456808.db2.gz JZQQRSCUZSTJPR-GUBZILKMSA-N 0 3 197.278 2.008 10 0 AEAEHN CC[C@@H](CO)N[C@@H](C)c1occc1C 308590866 573454951 /nfs/dbraw/zinc/45/49/51/573454951.db2.gz KGVGGJFQTMSDNR-UWVGGRQHSA-N 0 3 197.278 2.010 10 0 AEAEHN Clc1ccccc1N[C@@H]1CCCN1 257814186 573455428 /nfs/dbraw/zinc/45/54/28/573455428.db2.gz CJUHBDSGKZWNMK-SNVBAGLBSA-N 0 3 196.681 2.461 10 0 AEAEHN CCCc1cc([C@H](C)N)nn1C(C)C 257817715 573455598 /nfs/dbraw/zinc/45/55/98/573455598.db2.gz DXMYJJLZDZGUCS-VIFPVBQESA-N 0 3 195.310 2.436 10 0 AEAEHN C[C@@H](F)CNCc1ccccc1 107264868 573456157 /nfs/dbraw/zinc/45/61/57/573456157.db2.gz SNGNOMDYULXUPW-SECBINFHSA-N 0 3 167.227 2.134 10 0 AEAEHN Cc1cnc(NC2CC2)n1C(C)C 258354604 573456227 /nfs/dbraw/zinc/45/62/27/573456227.db2.gz YSLATUXXCDQQDN-UHFFFAOYSA-N 0 3 179.267 2.347 10 0 AEAEHN C[C@H](N)c1n[nH]cc1C1CCCCC1 257814101 573456473 /nfs/dbraw/zinc/45/64/73/573456473.db2.gz ALPYZHQQPZFUED-QMMMGPOBSA-N 0 3 193.294 2.477 10 0 AEAEHN NCc1c(F)cccc1OC1CCC1 86476578 573458100 /nfs/dbraw/zinc/45/81/00/573458100.db2.gz WBZJLQLTKGRXMT-UHFFFAOYSA-N 0 3 195.237 2.216 10 0 AEAEHN Clc1ccccc1N[C@H]1CCCN1 257814185 573459164 /nfs/dbraw/zinc/45/91/64/573459164.db2.gz CJUHBDSGKZWNMK-JTQLQIEISA-N 0 3 196.681 2.461 10 0 AEAEHN CC1(C)CN[C@H](Cc2cccs2)O1 258366584 573460491 /nfs/dbraw/zinc/46/04/91/573460491.db2.gz GPUFLPAEIKNPOG-VIFPVBQESA-N 0 3 197.303 2.015 10 0 AEAEHN CC(C)[C@@]1(C)NCCC1(F)F 107273438 573464089 /nfs/dbraw/zinc/46/40/89/573464089.db2.gz UZBYZWZUJCXOQV-SSDOTTSWSA-N 0 3 163.211 2.030 10 0 AEAEHN CSc1ccccc1[C@H](F)CN 257814606 573461790 /nfs/dbraw/zinc/46/17/90/573461790.db2.gz ARHHMPSGLBISGF-MRVPVSSYSA-N 0 3 185.267 2.378 10 0 AEAEHN CC(C)C(F)(F)[C@@H]1CCCN1 107273009 573461874 /nfs/dbraw/zinc/46/18/74/573461874.db2.gz BYAWAALFFCTMIG-ZETCQYMHSA-N 0 3 163.211 2.030 10 0 AEAEHN CCc1cc([C@H](C)N)nn1C(C)C 257814527 573464398 /nfs/dbraw/zinc/46/43/98/573464398.db2.gz CKPCYAMBOZPSCM-QMMMGPOBSA-N 0 3 181.283 2.046 10 0 AEAEHN CCn1nc([C@H](C)N)cc1CC(C)C 257814717 573462046 /nfs/dbraw/zinc/46/20/46/573462046.db2.gz COWQVCVUFOYVIP-VIFPVBQESA-N 0 3 195.310 2.121 10 0 AEAEHN C[C@@H]1CN[C@H](C(C)(C)C)C1(F)F 238405329 573462394 /nfs/dbraw/zinc/46/23/94/573462394.db2.gz DIJIWHNEQWODHD-RNFRBKRXSA-N 0 3 177.238 2.276 10 0 AEAEHN Cc1ccc([C@@H]2NCC(C)(C)O2)s1 258383090 573462476 /nfs/dbraw/zinc/46/24/76/573462476.db2.gz HKMSGATUVRGDCL-SECBINFHSA-N 0 3 197.303 2.454 10 0 AEAEHN CNC[C@H](F)C[C@@H]1CCCSC1 257814723 573462606 /nfs/dbraw/zinc/46/26/06/573462606.db2.gz CPEYTBXOYCSVJQ-DTWKUNHWSA-N 0 3 191.315 2.077 10 0 AEAEHN CC(C)[C@H]1CNCc2cc(O)ccc21 258373776 573462817 /nfs/dbraw/zinc/46/28/17/573462817.db2.gz XGOURPMOATVIAC-GFCCVEGCSA-N 0 3 191.274 2.235 10 0 AEAEHN C[C@@H]1CN[C@@H](C(C)(C)C)C1(F)F 238404325 573462850 /nfs/dbraw/zinc/46/28/50/573462850.db2.gz DIJIWHNEQWODHD-RQJHMYQMSA-N 0 3 177.238 2.276 10 0 AEAEHN CC[C@@H](C)c1ccc([C@@H](O)NC)cc1 259459410 573463300 /nfs/dbraw/zinc/46/33/00/573463300.db2.gz PMAQQTYHTIJNIF-BXKDBHETSA-N 0 3 193.290 2.410 10 0 AEAEHN CC[C@H](C)c1ccc([C@@H](O)NC)cc1 259459412 573463326 /nfs/dbraw/zinc/46/33/26/573463326.db2.gz PMAQQTYHTIJNIF-JOYOIKCWSA-N 0 3 193.290 2.410 10 0 AEAEHN Cc1ccc([C@H]2NCC(C)(C)O2)s1 258383096 573463489 /nfs/dbraw/zinc/46/34/89/573463489.db2.gz HKMSGATUVRGDCL-VIFPVBQESA-N 0 3 197.303 2.454 10 0 AEAEHN CC(F)(F)c1ccc(F)c(CN)c1 107270180 573463546 /nfs/dbraw/zinc/46/35/46/573463546.db2.gz SDAKJEZHDOVSKE-UHFFFAOYSA-N 0 3 189.180 2.396 10 0 AEAEHN CC(C)C(F)(F)[C@H]1CCCN1 107273013 573463691 /nfs/dbraw/zinc/46/36/91/573463691.db2.gz BYAWAALFFCTMIG-SSDOTTSWSA-N 0 3 163.211 2.030 10 0 AEAEHN CNC[C@@H](F)C[C@H]1CCCSC1 257814722 573463737 /nfs/dbraw/zinc/46/37/37/573463737.db2.gz CPEYTBXOYCSVJQ-BDAKNGLRSA-N 0 3 191.315 2.077 10 0 AEAEHN CSc1ccccc1[C@@H](F)CN 257814607 573463764 /nfs/dbraw/zinc/46/37/64/573463764.db2.gz ARHHMPSGLBISGF-QMMMGPOBSA-N 0 3 185.267 2.378 10 0 AEAEHN Cc1cccc(N[C@H]2CCCN2)c1 257815410 573463922 /nfs/dbraw/zinc/46/39/22/573463922.db2.gz CTLUXKXVWMZISY-NSHDSACASA-N 0 3 176.263 2.116 10 0 AEAEHN NC[C@@](F)(C1CCCC1)C(F)(F)F 258035375 573463996 /nfs/dbraw/zinc/46/39/96/573463996.db2.gz IYAFTLKFSGHITL-SSDOTTSWSA-N 0 3 199.191 2.406 10 0 AEAEHN CCc1cc([C@@H](C)N)nn1C(C)C 257814526 573464268 /nfs/dbraw/zinc/46/42/68/573464268.db2.gz CKPCYAMBOZPSCM-MRVPVSSYSA-N 0 3 181.283 2.046 10 0 AEAEHN CNC[C@H](F)C[C@H]1CCCSC1 257814725 573464479 /nfs/dbraw/zinc/46/44/79/573464479.db2.gz CPEYTBXOYCSVJQ-RKDXNWHRSA-N 0 3 191.315 2.077 10 0 AEAEHN C[C@@H](O)N1CCC2(CCCCC2)CC1 238404260 573464816 /nfs/dbraw/zinc/46/48/16/573464816.db2.gz WIJLNLWMSYBMNZ-LLVKDONJSA-N 0 3 197.322 2.371 10 0 AEAEHN CC(C)Cc1nc(CN)[nH]c1C(C)C 257815596 573465404 /nfs/dbraw/zinc/46/54/04/573465404.db2.gz DADHCARRMDWELQ-UHFFFAOYSA-N 0 3 195.310 2.190 10 0 AEAEHN CC(C)Cc1[nH]c(CN)nc1C(C)C 257815596 573465410 /nfs/dbraw/zinc/46/54/10/573465410.db2.gz DADHCARRMDWELQ-UHFFFAOYSA-N 0 3 195.310 2.190 10 0 AEAEHN C[C@@]1(c2ccccc2F)NCC[C@H]1F 107275726 573465824 /nfs/dbraw/zinc/46/58/24/573465824.db2.gz RXGDUSQATFIJOM-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN Cc1cccc2c1C[C@](F)(CN)CC2 257816016 573465842 /nfs/dbraw/zinc/46/58/42/573465842.db2.gz DHGWUBNVHKLYEA-LBPRGKRZSA-N 0 3 193.265 2.151 10 0 AEAEHN Fc1ccc([C@H]2NCC[C@H]2F)cc1 107276624 573466956 /nfs/dbraw/zinc/46/69/56/573466956.db2.gz CEKYBHLQVAHERU-NXEZZACHSA-N 0 3 183.201 2.198 10 0 AEAEHN Fc1cccc([C@H]2CCNC[C@H]2F)c1 107276054 573465900 /nfs/dbraw/zinc/46/59/00/573465900.db2.gz GKBLCUJJWPWFJH-GHMZBOCLSA-N 0 3 197.228 2.241 10 0 AEAEHN C[C@@]1(c2ccc(F)cc2)NCC[C@H]1F 107276944 573465959 /nfs/dbraw/zinc/46/59/59/573465959.db2.gz OIMKUCIEKYYBGC-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN F[C@@H]1CCN[C@H]1c1ccccc1 107274960 573465992 /nfs/dbraw/zinc/46/59/92/573465992.db2.gz ZKCXZXVTEHQSGG-ZJUUUORDSA-N 0 3 165.211 2.059 10 0 AEAEHN C[C@]1(c2cccc(F)c2)NCC[C@@H]1F 107276372 573466191 /nfs/dbraw/zinc/46/61/91/573466191.db2.gz JDIBHGUFKKONLW-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN Fc1ccccc1[C@H]1CCNC[C@@H]1F 107275430 573466221 /nfs/dbraw/zinc/46/62/21/573466221.db2.gz MRZULKJNCDIBRN-KOLCDFICSA-N 0 3 197.228 2.241 10 0 AEAEHN Cc1ccc([C@]2(C)NC[C@H](C)O2)cc1 258391212 573466276 /nfs/dbraw/zinc/46/62/76/573466276.db2.gz HTNFPDZGVOCNBL-CMPLNLGQSA-N 0 3 191.274 2.176 10 0 AEAEHN Cc1ccc([C@@]2(C)NC[C@H](C)O2)cc1 258391226 573466342 /nfs/dbraw/zinc/46/63/42/573466342.db2.gz HTNFPDZGVOCNBL-JQWIXIFHSA-N 0 3 191.274 2.176 10 0 AEAEHN CC(C)(C)C(F)(F)[C@H]1CCCN1 107273616 573466487 /nfs/dbraw/zinc/46/64/87/573466487.db2.gz GHPMNBCDTXQHDM-SSDOTTSWSA-N 0 3 177.238 2.420 10 0 AEAEHN Cc1ccc([C@@]2(C)NC[C@@H](C)O2)cc1 258391230 573466501 /nfs/dbraw/zinc/46/65/01/573466501.db2.gz HTNFPDZGVOCNBL-PWSUYJOCSA-N 0 3 191.274 2.176 10 0 AEAEHN C[C@]1(c2ccccc2F)NCC[C@H]1F 107275729 573466505 /nfs/dbraw/zinc/46/65/05/573466505.db2.gz RXGDUSQATFIJOM-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN [NH3+]CCCc1coc2cccc([O-])c12 258035437 573466521 /nfs/dbraw/zinc/46/65/21/573466521.db2.gz ZKCHMIPHJWGCHK-UHFFFAOYSA-N 0 3 191.230 2.030 10 0 AEAEHN Fc1ccc([C@H]2NCC[C@@H]2F)cc1 107276631 573466541 /nfs/dbraw/zinc/46/65/41/573466541.db2.gz CEKYBHLQVAHERU-VHSXEESVSA-N 0 3 183.201 2.198 10 0 AEAEHN Cc1cccc2c1C[C@@](F)(CN)CC2 257816015 573466629 /nfs/dbraw/zinc/46/66/29/573466629.db2.gz DHGWUBNVHKLYEA-GFCCVEGCSA-N 0 3 193.265 2.151 10 0 AEAEHN Fc1ccccc1[C@@]1(F)CCCNC1 107275578 573466666 /nfs/dbraw/zinc/46/66/66/573466666.db2.gz QIMGCMWWMLCLAB-LLVKDONJSA-N 0 3 197.228 2.374 10 0 AEAEHN NCc1c[nH]nc1C1CCCCCC1 257815615 573466678 /nfs/dbraw/zinc/46/66/78/573466678.db2.gz DBPVUTFVQCXILO-UHFFFAOYSA-N 0 3 193.294 2.306 10 0 AEAEHN C[C@]1(c2ccccc2F)NCC[C@@H]1F 107275733 573466693 /nfs/dbraw/zinc/46/66/93/573466693.db2.gz RXGDUSQATFIJOM-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN Fc1ccccc1[C@H]1CCNC[C@H]1F 107275435 573466760 /nfs/dbraw/zinc/46/67/60/573466760.db2.gz MRZULKJNCDIBRN-MWLCHTKSSA-N 0 3 197.228 2.241 10 0 AEAEHN CC(C)(C)[C@]1(F)CCCNC1 107273962 573466864 /nfs/dbraw/zinc/46/68/64/573466864.db2.gz VLIQZCUAAWLUOG-VIFPVBQESA-N 0 3 159.248 2.124 10 0 AEAEHN C[C@]1(c2ccc(F)cc2)NCC[C@@H]1F 107276952 573466908 /nfs/dbraw/zinc/46/69/08/573466908.db2.gz OIMKUCIEKYYBGC-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@@](F)(c1cccc(F)c1)[C@H]1CCN1 257815616 573466914 /nfs/dbraw/zinc/46/69/14/573466914.db2.gz DBQSKHDAXHNLTL-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@]1(c2ccc(F)cc2)NCC[C@H]1F 107276946 573466917 /nfs/dbraw/zinc/46/69/17/573466917.db2.gz OIMKUCIEKYYBGC-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@@]1(c2ccccc2)NCC[C@H]1F 107275158 573466934 /nfs/dbraw/zinc/46/69/34/573466934.db2.gz HWFKUDRGUZDXGE-MNOVXSKESA-N 0 3 179.238 2.233 10 0 AEAEHN CC(C)=CCN[C@@H](C)c1cncnc1 308584290 573471099 /nfs/dbraw/zinc/47/10/99/573471099.db2.gz QZFUVUXEWYYDQG-JTQLQIEISA-N 0 3 191.278 2.093 10 0 AEAEHN [O-]c1cc(Cl)ccc1[C@@H]1CC[NH2+]C1 75068279 573471338 /nfs/dbraw/zinc/47/13/38/573471338.db2.gz YUQOZLMFRSYMCU-SSDOTTSWSA-N 0 3 197.665 2.123 10 0 AEAEHN CCC(CC)[C@@H](C)C[C@@H]1COCCN1 308584132 573471594 /nfs/dbraw/zinc/47/15/94/573471594.db2.gz LFWDEZMMHLPJPI-CMPLNLGQSA-N 0 3 199.338 2.437 10 0 AEAEHN C[C@@H]1CN=C(N[C@@H]2CC2(C)C)SC1 83386939 573471682 /nfs/dbraw/zinc/47/16/82/573471682.db2.gz NWCYXMUZNRNOPL-HTQZYQBOSA-N 0 3 198.335 2.113 10 0 AEAEHN CN[C@]1(c2nccs2)CCC[C@@H]1C 83394516 573476788 /nfs/dbraw/zinc/47/67/88/573476788.db2.gz GGHPSGUYQJKCNF-WCBMZHEXSA-N 0 3 196.319 2.378 10 0 AEAEHN C[C@H]1CCC[C@@]1(N)c1nccs1 83394453 573476548 /nfs/dbraw/zinc/47/65/48/573476548.db2.gz WHEOJBCJJCJXIQ-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN Clc1occc1[C@@H]1CCCN1 75085555 573477325 /nfs/dbraw/zinc/47/73/25/573477325.db2.gz YIFXRTUZZWJWCJ-ZETCQYMHSA-N 0 3 171.627 2.358 10 0 AEAEHN Clc1ccc2c(c1)C1(CC1)NCC2 211830192 573476060 /nfs/dbraw/zinc/47/60/60/573476060.db2.gz BPUKDIJNQUEHCL-UHFFFAOYSA-N 0 3 193.677 2.475 10 0 AEAEHN Cc1ccc([C@H]2CCC[C@H](O)N2)cc1 258667400 573476204 /nfs/dbraw/zinc/47/62/04/573476204.db2.gz MKEMEJLUZDJQAY-NEPJUHHUSA-N 0 3 191.274 2.128 10 0 AEAEHN CN[C@@H](C)c1c[nH]c(CC2CCC2)n1 308585470 573476263 /nfs/dbraw/zinc/47/62/63/573476263.db2.gz MBUMZCHPNXGDTI-QMMMGPOBSA-N 0 3 193.294 2.033 10 0 AEAEHN Cc1csc([C@]2(N)CCC[C@@H]2C)n1 83394430 573476294 /nfs/dbraw/zinc/47/62/94/573476294.db2.gz WUUZDVRCZDHXTI-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN CN[C@]1(c2nccs2)CCC[C@H]1C 83394514 573476329 /nfs/dbraw/zinc/47/63/29/573476329.db2.gz GGHPSGUYQJKCNF-PSASIEDQSA-N 0 3 196.319 2.378 10 0 AEAEHN CC[C@H](C)N[C@H](C)c1cn(C)c(C)n1 308585577 573476647 /nfs/dbraw/zinc/47/66/47/573476647.db2.gz IECLSIAAZATMKO-DTWKUNHWSA-N 0 3 195.310 2.178 10 0 AEAEHN CP(C)(=O)[C@H](N)Cc1ccccc1 238413692 573476682 /nfs/dbraw/zinc/47/66/82/573476682.db2.gz MXERZTJLIPTTKY-JTQLQIEISA-N 0 3 197.218 2.137 10 0 AEAEHN CC(C)OC[C@@H]1NCc2ccccc21 86528194 573476744 /nfs/dbraw/zinc/47/67/44/573476744.db2.gz LDOJHVFNJWDWJD-LBPRGKRZSA-N 0 3 191.274 2.256 10 0 AEAEHN CC[C@@H](C)N[C@@H](C)c1cn(C)c(C)n1 308585576 573476751 /nfs/dbraw/zinc/47/67/51/573476751.db2.gz IECLSIAAZATMKO-BDAKNGLRSA-N 0 3 195.310 2.178 10 0 AEAEHN CN[C@H](C)c1c[nH]c(CC2CCC2)n1 308585468 573476907 /nfs/dbraw/zinc/47/69/07/573476907.db2.gz MBUMZCHPNXGDTI-MRVPVSSYSA-N 0 3 193.294 2.033 10 0 AEAEHN C[C@H]1CCC[C@]1(N)c1nccs1 83394449 573477236 /nfs/dbraw/zinc/47/72/36/573477236.db2.gz WHEOJBCJJCJXIQ-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN NC1(c2cccc(Cl)n2)CCC1 75086077 573477295 /nfs/dbraw/zinc/47/72/95/573477295.db2.gz RZOBRMXIAWHJDJ-UHFFFAOYSA-N 0 3 182.654 2.073 10 0 AEAEHN Cc1csc([C@@]2(N)CCC[C@@H]2C)n1 83394432 573478065 /nfs/dbraw/zinc/47/80/65/573478065.db2.gz WUUZDVRCZDHXTI-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN Fc1cccc([C@H](F)[C@@H]2CCN2)c1 257820915 573478180 /nfs/dbraw/zinc/47/81/80/573478180.db2.gz FUWYEXUTOOGQEB-UWVGGRQHSA-N 0 3 183.201 2.198 10 0 AEAEHN CN[C@@]1(c2nccs2)CCC[C@@H]1C 83394520 573478222 /nfs/dbraw/zinc/47/82/22/573478222.db2.gz GGHPSGUYQJKCNF-WPRPVWTQSA-N 0 3 196.319 2.378 10 0 AEAEHN Cc1csc([C@@]2(N)CCC[C@H]2C)n1 83394436 573478603 /nfs/dbraw/zinc/47/86/03/573478603.db2.gz WUUZDVRCZDHXTI-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@@H]1CCC[C@@]1(N)c1nccs1 83394451 573478676 /nfs/dbraw/zinc/47/86/76/573478676.db2.gz WHEOJBCJJCJXIQ-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN Clc1occc1[C@H]1CCCN1 75085558 573478710 /nfs/dbraw/zinc/47/87/10/573478710.db2.gz YIFXRTUZZWJWCJ-SSDOTTSWSA-N 0 3 171.627 2.358 10 0 AEAEHN CC[C@H](N[C@@H]1CC[C@H]1C)c1ncc[nH]1 308596289 573478833 /nfs/dbraw/zinc/47/88/33/573478833.db2.gz MQTNJLKHUDSPBB-KXUCPTDWSA-N 0 3 193.294 2.249 10 0 AEAEHN CC(C)OC[C@H]1NCc2ccccc21 86528192 573478836 /nfs/dbraw/zinc/47/88/36/573478836.db2.gz LDOJHVFNJWDWJD-GFCCVEGCSA-N 0 3 191.274 2.256 10 0 AEAEHN C[C@@H](N)c1c(Cl)ccnc1Cl 238413595 573479035 /nfs/dbraw/zinc/47/90/35/573479035.db2.gz PHQDKYRQFODUNJ-SCSAIBSYSA-N 0 3 191.061 2.408 10 0 AEAEHN Fc1cccc([C@@H](F)[C@H]2CCN2)c1 257820914 573478960 /nfs/dbraw/zinc/47/89/60/573478960.db2.gz FUWYEXUTOOGQEB-NXEZZACHSA-N 0 3 183.201 2.198 10 0 AEAEHN CCOc1ccc([C@H](F)CNC)cc1 257819133 573480553 /nfs/dbraw/zinc/48/05/53/573480553.db2.gz CZSVVLSOZMQNCS-LLVKDONJSA-N 0 3 197.253 2.315 10 0 AEAEHN CP(C)(=O)[C@@H](N)Cc1ccccc1 238413561 573480052 /nfs/dbraw/zinc/48/00/52/573480052.db2.gz MXERZTJLIPTTKY-SNVBAGLBSA-N 0 3 197.218 2.137 10 0 AEAEHN Cc1cc(CCN2CCCCC2)no1 2040137 573480278 /nfs/dbraw/zinc/48/02/78/573480278.db2.gz WAFHMWXIPPOZKR-UHFFFAOYSA-N 0 3 194.278 2.011 10 0 AEAEHN Cc1cc2[nH]c([C@H](C)N)nc2cc1F 107288076 573480398 /nfs/dbraw/zinc/48/03/98/573480398.db2.gz IWAOPELOIGVPFB-LURJTMIESA-N 0 3 193.225 2.030 10 0 AEAEHN CN[C@@]1(c2nccs2)CCC[C@H]1C 83394518 573480437 /nfs/dbraw/zinc/48/04/37/573480437.db2.gz GGHPSGUYQJKCNF-SCZZXKLOSA-N 0 3 196.319 2.378 10 0 AEAEHN NCc1cc(Cl)nc(C2CC2)c1 257819483 573480456 /nfs/dbraw/zinc/48/04/56/573480456.db2.gz FHLSGSKJDSMXDP-UHFFFAOYSA-N 0 3 182.654 2.071 10 0 AEAEHN C/C=C\CCNCc1ccc(C)cn1 308390996 573482113 /nfs/dbraw/zinc/48/21/13/573482113.db2.gz KSTJXAXOEURNSV-ARJAWSKDSA-N 0 3 190.290 2.446 10 0 AEAEHN N[C@H]1Cc2cccc(Br)c21 257819471 573482214 /nfs/dbraw/zinc/48/22/14/573482214.db2.gz FLAPSKDRYTVKCP-ZETCQYMHSA-N 0 3 198.063 2.005 10 0 AEAEHN CC[C@H](N[C@@H]1CC[C@@H]1C)c1ncc[nH]1 308596290 573482531 /nfs/dbraw/zinc/48/25/31/573482531.db2.gz MQTNJLKHUDSPBB-LPEHRKFASA-N 0 3 193.294 2.249 10 0 AEAEHN Cc1c(CN)n(C)c2ccc(F)cc12 107292706 573482725 /nfs/dbraw/zinc/48/27/25/573482725.db2.gz WPOBMEBWVGMDCE-UHFFFAOYSA-N 0 3 192.237 2.085 10 0 AEAEHN C[C@@H]1CCC[C@@]12CC(=O)CC(C)(C)N2 238415897 573482756 /nfs/dbraw/zinc/48/27/56/573482756.db2.gz DUILMUALILHNIF-BXKDBHETSA-N 0 3 195.306 2.276 10 0 AEAEHN CCc1ccnc([C@H]2CCCCN2)c1 259106682 573483444 /nfs/dbraw/zinc/48/34/44/573483444.db2.gz FAEHVTXGDMCURK-LLVKDONJSA-N 0 3 190.290 2.459 10 0 AEAEHN CCC[C@H](C)CN[C@H](C)c1cc[nH]n1 308597052 573485022 /nfs/dbraw/zinc/48/50/22/573485022.db2.gz MYQIUGYKGLCWBU-VHSXEESVSA-N 0 3 195.310 2.497 10 0 AEAEHN CCOc1ccc2[nH]c(CN)cc2c1 107292336 573484528 /nfs/dbraw/zinc/48/45/28/573484528.db2.gz LDHOKLAIYKNSQI-UHFFFAOYSA-N 0 3 190.246 2.025 10 0 AEAEHN CCC[C@@H](C)CN[C@@H](C)c1cc[nH]n1 308597053 573484657 /nfs/dbraw/zinc/48/46/57/573484657.db2.gz MYQIUGYKGLCWBU-ZJUUUORDSA-N 0 3 195.310 2.497 10 0 AEAEHN Cc1c(CN)n(C)c2c(F)cccc12 107292704 573484715 /nfs/dbraw/zinc/48/47/15/573484715.db2.gz DTDBKMJCNZENCP-UHFFFAOYSA-N 0 3 192.237 2.085 10 0 AEAEHN CCC[C@@H](C)CN[C@H](C)c1cc[nH]n1 308597050 573484809 /nfs/dbraw/zinc/48/48/09/573484809.db2.gz MYQIUGYKGLCWBU-NXEZZACHSA-N 0 3 195.310 2.497 10 0 AEAEHN CCN(C)Cc1cc(Cl)ccc1N 86549311 573484847 /nfs/dbraw/zinc/48/48/47/573484847.db2.gz KINMCKCZDXMQRZ-UHFFFAOYSA-N 0 3 198.697 2.374 10 0 AEAEHN CC(C)c1cc(CN)nn1C(C)(C)C 257820180 573487041 /nfs/dbraw/zinc/48/70/41/573487041.db2.gz FRWVPVWBIAEMGS-UHFFFAOYSA-N 0 3 195.310 2.220 10 0 AEAEHN Cc1ccc(N(C)[C@@H]2CCCN2)cc1 257820061 573487260 /nfs/dbraw/zinc/48/72/60/573487260.db2.gz FOUCNMCBSLSYSQ-GFCCVEGCSA-N 0 3 190.290 2.141 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1ccc(OC)cc1 257820071 573487677 /nfs/dbraw/zinc/48/76/77/573487677.db2.gz FPLCYBKUFQXWOT-KWQFWETISA-N 0 3 197.253 2.314 10 0 AEAEHN CC(C)(C)Oc1ccc2c(c1)CNC2 258038644 573489953 /nfs/dbraw/zinc/48/99/53/573489953.db2.gz OHBGKUBCANSKMX-UHFFFAOYSA-N 0 3 191.274 2.467 10 0 AEAEHN CCC(CC)CNCc1ccncn1 130225939 573489015 /nfs/dbraw/zinc/48/90/15/573489015.db2.gz MBEBYPQDBJBLNR-UHFFFAOYSA-N 0 3 193.294 2.002 10 0 AEAEHN Cc1cc([C@H](C)N)ncc1Cl 238416447 573489995 /nfs/dbraw/zinc/48/99/95/573489995.db2.gz MACVAEJOQWLVHY-LURJTMIESA-N 0 3 170.643 2.063 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1ccc(OC)cc1 257820072 573490210 /nfs/dbraw/zinc/49/02/10/573490210.db2.gz FPLCYBKUFQXWOT-LDYMZIIASA-N 0 3 197.253 2.314 10 0 AEAEHN CN(C)Cc1coc2cccc(O)c12 258499239 573491796 /nfs/dbraw/zinc/49/17/96/573491796.db2.gz FXGOLPWDSCTAHY-UHFFFAOYSA-N 0 3 191.230 2.200 10 0 AEAEHN COc1ccc2cnc(C3CC3)n2c1 258043980 573492252 /nfs/dbraw/zinc/49/22/52/573492252.db2.gz SPYPZTKFXRVVDF-UHFFFAOYSA-N 0 3 188.230 2.220 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccccc1Cl 86575818 573492669 /nfs/dbraw/zinc/49/26/69/573492669.db2.gz IKCOBDWLRNPRFM-XCBNKYQSSA-N 0 3 199.681 2.375 10 0 AEAEHN COc1ncc(C)cc1[C@H](N)C(C)C 238408368 573492741 /nfs/dbraw/zinc/49/27/41/573492741.db2.gz AUPUYKURNKLRLX-SNVBAGLBSA-N 0 3 194.278 2.054 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cccc(Cl)c1 86575886 573492932 /nfs/dbraw/zinc/49/29/32/573492932.db2.gz ZIZZJSHEIJZKJK-OIBJUYFYSA-N 0 3 199.681 2.375 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccccc1C 86575716 573492882 /nfs/dbraw/zinc/49/28/82/573492882.db2.gz DJBAGGGTENJXGG-ONGXEEELSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cc(C)ccc1F 86575957 573493196 /nfs/dbraw/zinc/49/31/96/573493196.db2.gz HBAYDLLYZQIHLD-GZMMTYOYSA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccccc1C 86575713 573493427 /nfs/dbraw/zinc/49/34/27/573493427.db2.gz DJBAGGGTENJXGG-MWLCHTKSSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cc(C)ccc1F 86575953 573494811 /nfs/dbraw/zinc/49/48/11/573494811.db2.gz HBAYDLLYZQIHLD-LDYMZIIASA-N 0 3 197.253 2.169 10 0 AEAEHN CCCc1ncc2ccc(OC)cn12 258041211 573494864 /nfs/dbraw/zinc/49/48/64/573494864.db2.gz SJDQCOLBPUMRFB-UHFFFAOYSA-N 0 3 190.246 2.295 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1csc(C)c1 86575773 573494868 /nfs/dbraw/zinc/49/48/68/573494868.db2.gz DAUTWWMKGZWTCQ-VXNVDRBHSA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccc(F)cc1C 86575944 573494909 /nfs/dbraw/zinc/49/49/09/573494909.db2.gz ZIWOSEHCFZLFQG-LDYMZIIASA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccc(F)cc1C 86575951 573495011 /nfs/dbraw/zinc/49/50/11/573495011.db2.gz ZIWOSEHCFZLFQG-KWQFWETISA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cc(C)ccc1F 86575959 573495304 /nfs/dbraw/zinc/49/53/04/573495304.db2.gz HBAYDLLYZQIHLD-KWQFWETISA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cc(C)cc(C)c1 86575754 573496638 /nfs/dbraw/zinc/49/66/38/573496638.db2.gz WYSPISPNPJMGBV-PWSUYJOCSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cc(C)cc(C)c1 86575755 573496207 /nfs/dbraw/zinc/49/62/07/573496207.db2.gz WYSPISPNPJMGBV-CMPLNLGQSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cc(C)cc(C)c1 86575756 573496513 /nfs/dbraw/zinc/49/65/13/573496513.db2.gz WYSPISPNPJMGBV-JQWIXIFHSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccccc1C 86575714 573496566 /nfs/dbraw/zinc/49/65/66/573496566.db2.gz DJBAGGGTENJXGG-KOLCDFICSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cc(C)ccc1F 86575955 573496581 /nfs/dbraw/zinc/49/65/81/573496581.db2.gz HBAYDLLYZQIHLD-KCJUWKMLSA-N 0 3 197.253 2.169 10 0 AEAEHN CCCn1ccc(CN(C)CC)c1 308395776 573496599 /nfs/dbraw/zinc/49/65/99/573496599.db2.gz DBCIKYBXAZJQJQ-UHFFFAOYSA-N 0 3 180.295 2.350 10 0 AEAEHN CCCC1CCN(CCC(C)=O)CC1 50894205 573496635 /nfs/dbraw/zinc/49/66/35/573496635.db2.gz JVTCRUCXCROKGS-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccc(F)cc1C 86575948 573496667 /nfs/dbraw/zinc/49/66/67/573496667.db2.gz ZIWOSEHCFZLFQG-GZMMTYOYSA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cccc(Cl)c1 86575887 573496857 /nfs/dbraw/zinc/49/68/57/573496857.db2.gz ZIZZJSHEIJZKJK-GMSGAONNSA-N 0 3 199.681 2.375 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccccc1Cl 86575820 573496914 /nfs/dbraw/zinc/49/69/14/573496914.db2.gz IKCOBDWLRNPRFM-GMSGAONNSA-N 0 3 199.681 2.375 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cccc(Cl)c1 86575884 573497031 /nfs/dbraw/zinc/49/70/31/573497031.db2.gz ZIZZJSHEIJZKJK-XVKPBYJWSA-N 0 3 199.681 2.375 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1csc(C)c1 86575775 573497039 /nfs/dbraw/zinc/49/70/39/573497039.db2.gz DAUTWWMKGZWTCQ-IONNQARKSA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccccc1Cl 86575819 573497308 /nfs/dbraw/zinc/49/73/08/573497308.db2.gz IKCOBDWLRNPRFM-OIBJUYFYSA-N 0 3 199.681 2.375 10 0 AEAEHN CC[C@@H](NC1(C)CC1)c1ccn(C)n1 308607363 573497365 /nfs/dbraw/zinc/49/73/65/573497365.db2.gz PUQXPUAECQMINF-SECBINFHSA-N 0 3 193.294 2.013 10 0 AEAEHN CC1(CC(=O)[C@](C)(N)C2CC2)CCC1 308608322 573497400 /nfs/dbraw/zinc/49/74/00/573497400.db2.gz KEKUVTBMFNOYRX-GFCCVEGCSA-N 0 3 195.306 2.263 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cc(C)ccc1C 86576691 573498524 /nfs/dbraw/zinc/49/85/24/573498524.db2.gz WXOUPDWPUHHMDS-ZYHUDNBSSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cc(C)ccc1C 86576692 573498538 /nfs/dbraw/zinc/49/85/38/573498538.db2.gz WXOUPDWPUHHMDS-PWSUYJOCSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cc(C)ccc1C 86576695 573498592 /nfs/dbraw/zinc/49/85/92/573498592.db2.gz WXOUPDWPUHHMDS-JQWIXIFHSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cccc(C)c1 86576301 573498634 /nfs/dbraw/zinc/49/86/34/573498634.db2.gz ZTCAJTIQRZWLDE-GXSJLCMTSA-N 0 3 179.263 2.030 10 0 AEAEHN CC[C@H](NC1(C)CC1)c1ccn(C)n1 308607370 573498636 /nfs/dbraw/zinc/49/86/36/573498636.db2.gz PUQXPUAECQMINF-VIFPVBQESA-N 0 3 193.294 2.013 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cccc(C)c1C 86576730 573498726 /nfs/dbraw/zinc/49/87/26/573498726.db2.gz YDHVRCAMLQWQJA-ZYHUDNBSSA-N 0 3 193.290 2.338 10 0 AEAEHN C[C@H]([NH3+])CCc1ccc(Cl)c([O-])c1 238417944 573498746 /nfs/dbraw/zinc/49/87/46/573498746.db2.gz WARGIJUSYCLCQO-ZETCQYMHSA-N 0 3 199.681 2.325 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccc(C)s1 86577059 573498940 /nfs/dbraw/zinc/49/89/40/573498940.db2.gz LYKPHVAADLSFRT-APPZFPTMSA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccc(C)c(C)c1 86576709 573498992 /nfs/dbraw/zinc/49/89/92/573498992.db2.gz QNZJUOFNAGTQEO-CMPLNLGQSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccc(C)c(C)c1 86576711 573499118 /nfs/dbraw/zinc/49/91/18/573499118.db2.gz QNZJUOFNAGTQEO-JQWIXIFHSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccc(C)s1 86577057 573499416 /nfs/dbraw/zinc/49/94/16/573499416.db2.gz LYKPHVAADLSFRT-VXNVDRBHSA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cc(F)ccc1C 86576782 573502751 /nfs/dbraw/zinc/50/27/51/573502751.db2.gz ADBSRMADPGJDKE-KCJUWKMLSA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccc(C)c(C)c1 86576707 573501365 /nfs/dbraw/zinc/50/13/65/573501365.db2.gz QNZJUOFNAGTQEO-PWSUYJOCSA-N 0 3 193.290 2.338 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@@]2(C)C[C@H]2C)S1 714704295 573501431 /nfs/dbraw/zinc/50/14/31/573501431.db2.gz CCOGFOVJSOYWDE-IMSYWVGJSA-N 0 3 185.336 2.474 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cccc(C)c1 86576303 573501454 /nfs/dbraw/zinc/50/14/54/573501454.db2.gz ZTCAJTIQRZWLDE-ONGXEEELSA-N 0 3 179.263 2.030 10 0 AEAEHN CNc1ccc2c(c1)CN(C1CC1)C2 259475370 573501530 /nfs/dbraw/zinc/50/15/30/573501530.db2.gz YJOMFZTVEADWDC-UHFFFAOYSA-N 0 3 188.274 2.206 10 0 AEAEHN CN[C@H](c1cccs1)[C@H](C)OC 86578569 573501591 /nfs/dbraw/zinc/50/15/91/573501591.db2.gz PNULQBQLOGXYHC-CBAPKCEASA-N 0 3 185.292 2.044 10 0 AEAEHN C[C@H](N)c1cc(Cl)cs1 238418787 573501674 /nfs/dbraw/zinc/50/16/74/573501674.db2.gz AGNIOXVJRBWWJX-BYPYZUCNSA-N 0 3 161.657 2.421 10 0 AEAEHN Cc1cc([C@@H](C)N)ncc1Cl 238418600 573501713 /nfs/dbraw/zinc/50/17/13/573501713.db2.gz MACVAEJOQWLVHY-ZCFIWIBFSA-N 0 3 170.643 2.063 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cc(F)ccc1C 86576779 573501819 /nfs/dbraw/zinc/50/18/19/573501819.db2.gz ADBSRMADPGJDKE-LDYMZIIASA-N 0 3 197.253 2.169 10 0 AEAEHN CC1(CC(=O)[C@@](C)(N)C2CC2)CCC1 308608323 573501962 /nfs/dbraw/zinc/50/19/62/573501962.db2.gz KEKUVTBMFNOYRX-LBPRGKRZSA-N 0 3 195.306 2.263 10 0 AEAEHN CCC(C)(C)CNCc1cccnn1 308607349 573502077 /nfs/dbraw/zinc/50/20/77/573502077.db2.gz PULDPKSEFIDTHV-UHFFFAOYSA-N 0 3 193.294 2.002 10 0 AEAEHN C[C@H](N)c1cc(Cl)cc(F)c1N 238418181 573502181 /nfs/dbraw/zinc/50/21/81/573502181.db2.gz JSMDQFIXPRDTDV-BYPYZUCNSA-N 0 3 188.633 2.081 10 0 AEAEHN C[C@H]1C[C@@]1(C)[C@H]1NCC[C@@H](C)S1 714704298 573502420 /nfs/dbraw/zinc/50/24/20/573502420.db2.gz CCOGFOVJSOYWDE-QCLAVDOMSA-N 0 3 185.336 2.474 10 0 AEAEHN CN[C@@H](c1cccc(C)c1)[C@H](C)OC 86577845 573502485 /nfs/dbraw/zinc/50/24/85/573502485.db2.gz BFVMGPZZTHQGDV-CMPLNLGQSA-N 0 3 193.290 2.290 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1cccc(C)c1 86576298 573502534 /nfs/dbraw/zinc/50/25/34/573502534.db2.gz ZTCAJTIQRZWLDE-MWLCHTKSSA-N 0 3 179.263 2.030 10 0 AEAEHN C[C@H]1C[C@]1(C)[C@H]1NCC[C@@H](C)S1 714704297 573502564 /nfs/dbraw/zinc/50/25/64/573502564.db2.gz CCOGFOVJSOYWDE-JXUBOQSCSA-N 0 3 185.336 2.474 10 0 AEAEHN CC1(C)CO[C@H](Cc2cccs2)N1 258709414 573504699 /nfs/dbraw/zinc/50/46/99/573504699.db2.gz UYVGYZRTFXUGIS-SECBINFHSA-N 0 3 197.303 2.015 10 0 AEAEHN Cc1ccccc1[C@@H]1CCC[C@H](O)N1 258050207 573504157 /nfs/dbraw/zinc/50/41/57/573504157.db2.gz BHPMIOKUAURCOH-RYUDHWBXSA-N 0 3 191.274 2.128 10 0 AEAEHN CSC(=N)CC(C)C 258709873 573504230 /nfs/dbraw/zinc/50/42/30/573504230.db2.gz NRIWRISWQMAAEI-UHFFFAOYSA-N 0 3 131.244 2.373 10 0 AEAEHN Cc1ccc(F)c([O-])c1CC(C)(C)[NH3+] 258050503 573504614 /nfs/dbraw/zinc/50/46/14/573504614.db2.gz KQRCEPWGZRUEMC-UHFFFAOYSA-N 0 3 197.253 2.120 10 0 AEAEHN CSc1ccc(O)cc1[C@@H]1CCN1 238419081 573505739 /nfs/dbraw/zinc/50/57/39/573505739.db2.gz QIEJMLKBUNLXHR-VIFPVBQESA-N 0 3 195.287 2.149 10 0 AEAEHN C[C@H]([NH3+])CCc1cccc(Cl)c1[O-] 238419900 573506381 /nfs/dbraw/zinc/50/63/81/573506381.db2.gz CQCCVRWPJMWUAL-ZETCQYMHSA-N 0 3 199.681 2.325 10 0 AEAEHN Cc1ccccc1[C@@H]1CCC[C@@H](O)N1 258050204 573507634 /nfs/dbraw/zinc/50/76/34/573507634.db2.gz BHPMIOKUAURCOH-NWDGAFQWSA-N 0 3 191.274 2.128 10 0 AEAEHN Cc1ncc2ccc(Cl)cn12 258048740 573507807 /nfs/dbraw/zinc/50/78/07/573507807.db2.gz SXZIREFJZIQJGX-UHFFFAOYSA-N 0 3 166.611 2.296 10 0 AEAEHN Cc1cc([C@]2(N)CCCOC2)cs1 83449547 573510965 /nfs/dbraw/zinc/51/09/65/573510965.db2.gz LADBLEXFUKJHFP-JTQLQIEISA-N 0 3 197.303 2.021 10 0 AEAEHN C[C@H]([NH3+])CCc1cccc([O-])c1Cl 238420380 573511042 /nfs/dbraw/zinc/51/10/42/573511042.db2.gz MYVYKSIBHSVPJY-ZETCQYMHSA-N 0 3 199.681 2.325 10 0 AEAEHN C[C@@H]([NH3+])CCc1ccc(Cl)c([O-])c1 238420288 573509697 /nfs/dbraw/zinc/50/96/97/573509697.db2.gz WARGIJUSYCLCQO-SSDOTTSWSA-N 0 3 199.681 2.325 10 0 AEAEHN C[C@H]1C[C@@]1(C)[C@H]1NC[C@@H](C)CS1 714707275 573509967 /nfs/dbraw/zinc/50/99/67/573509967.db2.gz IRARXNXDBYEMIU-XFWSIPNHSA-N 0 3 185.336 2.331 10 0 AEAEHN C[NH2+]CC[C@@](C)(F)c1ccccc1[O-] 257821977 573510426 /nfs/dbraw/zinc/51/04/26/573510426.db2.gz GFRNXZBXYQBBGS-LLVKDONJSA-N 0 3 197.253 2.186 10 0 AEAEHN C[C@@H]1N[C@@H](c2ccccc2)OC1(C)C 238421389 573510714 /nfs/dbraw/zinc/51/07/14/573510714.db2.gz LOQKXCTUIGJROU-GXSJLCMTSA-N 0 3 191.274 2.472 10 0 AEAEHN C[C@H]1C[C@]1(C)[C@H]1NC[C@@H](C)CS1 714707272 573510753 /nfs/dbraw/zinc/51/07/53/573510753.db2.gz IRARXNXDBYEMIU-KATARQTJSA-N 0 3 185.336 2.331 10 0 AEAEHN NCc1cncc([C@H]2CCCS2)c1 258050750 573511065 /nfs/dbraw/zinc/51/10/65/573511065.db2.gz KBJXFBQKQQOSPA-SNVBAGLBSA-N 0 3 194.303 2.108 10 0 AEAEHN CC(C)CC[C@]1(CO)CCCN(C)C1 258719792 573511216 /nfs/dbraw/zinc/51/12/16/573511216.db2.gz IHPLAYZXJYZAMD-GFCCVEGCSA-N 0 3 199.338 2.127 10 0 AEAEHN C[C@@H]1CN[C@H]([C@@]2(C)C[C@H]2C)SC1 714707233 573511423 /nfs/dbraw/zinc/51/14/23/573511423.db2.gz IRARXNXDBYEMIU-IMSYWVGJSA-N 0 3 185.336 2.331 10 0 AEAEHN CC(C)CC[C@@]1(CO)CCCN(C)C1 258719794 573511439 /nfs/dbraw/zinc/51/14/39/573511439.db2.gz IHPLAYZXJYZAMD-LBPRGKRZSA-N 0 3 199.338 2.127 10 0 AEAEHN C[C@@H]1CN[C@H]([C@]2(C)C[C@H]2C)SC1 714707230 573511617 /nfs/dbraw/zinc/51/16/17/573511617.db2.gz IRARXNXDBYEMIU-DOLQZWNJSA-N 0 3 185.336 2.331 10 0 AEAEHN CC(C)n1nc([C@H](C)N)cc1C1CC1 257821973 573511852 /nfs/dbraw/zinc/51/18/52/573511852.db2.gz GFPITEIGWTUNBF-QMMMGPOBSA-N 0 3 193.294 2.361 10 0 AEAEHN CC(C)n1nc([C@@H](C)N)cc1C1CC1 257821972 573512978 /nfs/dbraw/zinc/51/29/78/573512978.db2.gz GFPITEIGWTUNBF-MRVPVSSYSA-N 0 3 193.294 2.361 10 0 AEAEHN C[C@H](NCCOC1CC1)c1ccoc1 714961223 573513002 /nfs/dbraw/zinc/51/30/02/573513002.db2.gz SMROWHDPRVICQG-VIFPVBQESA-N 0 3 195.262 2.109 10 0 AEAEHN Cc1cc([C@@]2(N)CCCOC2)cs1 83449549 573513068 /nfs/dbraw/zinc/51/30/68/573513068.db2.gz LADBLEXFUKJHFP-SNVBAGLBSA-N 0 3 197.303 2.021 10 0 AEAEHN CCCN[C@@H](C)c1cn(C)c(CC)n1 308602527 573513113 /nfs/dbraw/zinc/51/31/13/573513113.db2.gz VJJKPQUVYONSBX-VIFPVBQESA-N 0 3 195.310 2.043 10 0 AEAEHN CNCc1ccc(OC)cc1SC 214909591 573513141 /nfs/dbraw/zinc/51/31/41/573513141.db2.gz IQKJBOYGSMKRTE-UHFFFAOYSA-N 0 3 197.303 2.137 10 0 AEAEHN C[C@@H](N)c1cc(F)cc(Cl)c1N 238422113 573514912 /nfs/dbraw/zinc/51/49/12/573514912.db2.gz TZRNCSDKZLPDKT-SCSAIBSYSA-N 0 3 188.633 2.081 10 0 AEAEHN CC1(C)CNC[C@@H](c2ccsc2)O1 83455152 573514993 /nfs/dbraw/zinc/51/49/93/573514993.db2.gz SPAMHRQGXXWTAJ-VIFPVBQESA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@]1(C)CNC[C@@H](c2ccco2)O1 83460129 573515033 /nfs/dbraw/zinc/51/50/33/573515033.db2.gz HWOORGIONHIMRS-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@@H](CSC)c1ccsc1 83451905 573515293 /nfs/dbraw/zinc/51/52/93/573515293.db2.gz IYKPFNMKWPVVCA-QMMMGPOBSA-N 0 3 187.333 2.372 10 0 AEAEHN CC1(C)CNC[C@H](c2ccsc2)O1 83455150 573515309 /nfs/dbraw/zinc/51/53/09/573515309.db2.gz SPAMHRQGXXWTAJ-SECBINFHSA-N 0 3 197.303 2.188 10 0 AEAEHN CCc1cc(CNCC=C(C)C)n[nH]1 308602868 573515629 /nfs/dbraw/zinc/51/56/29/573515629.db2.gz OUXITZOASNANAD-UHFFFAOYSA-N 0 3 193.294 2.028 10 0 AEAEHN CCc1cc(CNCC=C(C)C)[nH]n1 308602868 573515631 /nfs/dbraw/zinc/51/56/31/573515631.db2.gz OUXITZOASNANAD-UHFFFAOYSA-N 0 3 193.294 2.028 10 0 AEAEHN CSC[C@H](N)c1ccsc1 83451889 573516110 /nfs/dbraw/zinc/51/61/10/573516110.db2.gz JOROJIJHBPWZMZ-ZETCQYMHSA-N 0 3 173.306 2.111 10 0 AEAEHN CC[C@@H]1CNCC2(CCCCC2)O1 83460850 573516421 /nfs/dbraw/zinc/51/64/21/573516421.db2.gz LMGFTMIWVNEAJY-SNVBAGLBSA-N 0 3 183.295 2.088 10 0 AEAEHN CCN[C@@H](COC)c1csc(C)c1 83451558 573516476 /nfs/dbraw/zinc/51/64/76/573516476.db2.gz FSQKWYGXQZACJQ-JTQLQIEISA-N 0 3 199.319 2.354 10 0 AEAEHN Nc1ccncc1-c1ccsc1 83453210 573516568 /nfs/dbraw/zinc/51/65/68/573516568.db2.gz BZPQEPPRKOOKBI-UHFFFAOYSA-N 0 3 176.244 2.392 10 0 AEAEHN C[C@H]1NCC(C)(C)O[C@@H]1c1ccco1 83459982 573516630 /nfs/dbraw/zinc/51/66/30/573516630.db2.gz QUKIOSLXPRRZSS-SCZZXKLOSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@@H](CCC1CCCC1)NC1COC1 308603188 573516646 /nfs/dbraw/zinc/51/66/46/573516646.db2.gz BDDSLNXSIDACRL-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CN[C@H](CSC)c1ccsc1 83451908 573516764 /nfs/dbraw/zinc/51/67/64/573516764.db2.gz IYKPFNMKWPVVCA-MRVPVSSYSA-N 0 3 187.333 2.372 10 0 AEAEHN CC[C@H]1CNCC2(CCCCC2)O1 83460851 573516783 /nfs/dbraw/zinc/51/67/83/573516783.db2.gz LMGFTMIWVNEAJY-JTQLQIEISA-N 0 3 183.295 2.088 10 0 AEAEHN CCC(CC)CN1CCC(=O)C[C@@H]1C 130388308 573516833 /nfs/dbraw/zinc/51/68/33/573516833.db2.gz LMAXSDHQXZJFNW-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CSC[C@@H](N)c1csc(C)c1 83451895 573516875 /nfs/dbraw/zinc/51/68/75/573516875.db2.gz MSEWYBHBBUJZDM-MRVPVSSYSA-N 0 3 187.333 2.419 10 0 AEAEHN NC1([C@H](F)c2cccc(F)c2)CC1 257822729 573516990 /nfs/dbraw/zinc/51/69/90/573516990.db2.gz GGYXVTYJHLVLCL-SECBINFHSA-N 0 3 183.201 2.328 10 0 AEAEHN CCC(CC)CN1CCC(=O)C[C@H]1C 130388518 573517084 /nfs/dbraw/zinc/51/70/84/573517084.db2.gz LMAXSDHQXZJFNW-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)C[C@@H](N)c1nc(C2CC2)c[nH]1 74247455 573517275 /nfs/dbraw/zinc/51/72/75/573517275.db2.gz YAVQIIMQBFCUFL-SECBINFHSA-N 0 3 193.294 2.333 10 0 AEAEHN Cc1c[nH]c([C@H](N)CC2CCCC2)n1 74247539 573517495 /nfs/dbraw/zinc/51/74/95/573517495.db2.gz BNQJXYYWLKUDQR-SNVBAGLBSA-N 0 3 193.294 2.298 10 0 AEAEHN CC[C@]1(C)CNC[C@H](c2ccco2)O1 83460125 573517667 /nfs/dbraw/zinc/51/76/67/573517667.db2.gz HWOORGIONHIMRS-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN NC1([C@@H](F)c2cccc(F)c2)CC1 257822730 573517821 /nfs/dbraw/zinc/51/78/21/573517821.db2.gz GGYXVTYJHLVLCL-VIFPVBQESA-N 0 3 183.201 2.328 10 0 AEAEHN C[C@@H]1CCC[C@]12CC(=O)CC(C)(C)N2 238424827 573518419 /nfs/dbraw/zinc/51/84/19/573518419.db2.gz DUILMUALILHNIF-SKDRFNHKSA-N 0 3 195.306 2.276 10 0 AEAEHN Cc1ccc([C@H]2CNCC(C)(C)O2)o1 83459855 573518489 /nfs/dbraw/zinc/51/84/89/573518489.db2.gz WIQMFWLODHJOSS-SNVBAGLBSA-N 0 3 195.262 2.028 10 0 AEAEHN C[C@H](CCC1CCCC1)NC1COC1 308603189 573518494 /nfs/dbraw/zinc/51/84/94/573518494.db2.gz BDDSLNXSIDACRL-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(=O)C[C@@H](N)c1sccc1C 259484394 573518547 /nfs/dbraw/zinc/51/85/47/573518547.db2.gz PVSGNQVRQKXQLE-MRVPVSSYSA-N 0 3 183.276 2.035 10 0 AEAEHN CC[C@H]1CCC[C@@]2(CC1)CNCCO2 83471445 573521393 /nfs/dbraw/zinc/52/13/93/573521393.db2.gz NCJXYBFRRJUPTL-NWDGAFQWSA-N 0 3 197.322 2.335 10 0 AEAEHN CCC1CCC2(CC1)CNC[C@@H](C)O2 83469133 573519903 /nfs/dbraw/zinc/51/99/03/573519903.db2.gz BTUFBHILFDCRHA-VOMCLLRMSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H]1CNCC2(CCC(C)(C)CC2)O1 83468298 573520402 /nfs/dbraw/zinc/52/04/02/573520402.db2.gz YVVCMZQCDXSLFX-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1COC2(CCCCCC2)CN1 83470768 573520650 /nfs/dbraw/zinc/52/06/50/573520650.db2.gz DZHBFODSBLPIHU-SNVBAGLBSA-N 0 3 183.295 2.088 10 0 AEAEHN C[C@H]1CNC[C@]2(CC[C@@H](C)C[C@H]2C)O1 83471862 573520702 /nfs/dbraw/zinc/52/07/02/573520702.db2.gz IADOXEPYWZUKMQ-WYUUTHIRSA-N 0 3 197.322 2.190 10 0 AEAEHN C1CCCC2(CCC1)CNCCO2 83471383 573520775 /nfs/dbraw/zinc/52/07/75/573520775.db2.gz PRAUJWCIHBDWAK-UHFFFAOYSA-N 0 3 183.295 2.089 10 0 AEAEHN CCC1CCC2(CC1)CN[C@@H](C)CO2 83469128 573521128 /nfs/dbraw/zinc/52/11/28/573521128.db2.gz LGQCBYNKXKSGIX-UNXYVOJBSA-N 0 3 197.322 2.334 10 0 AEAEHN CCC1CCC2(CC1)CN[C@H](C)CO2 83469126 573521200 /nfs/dbraw/zinc/52/12/00/573521200.db2.gz LGQCBYNKXKSGIX-VOMCLLRMSA-N 0 3 197.322 2.334 10 0 AEAEHN COc1ccccc1[C@@H](F)C1(N)CC1 257827102 573521254 /nfs/dbraw/zinc/52/12/54/573521254.db2.gz HUIHEDHEVZZZKT-SNVBAGLBSA-N 0 3 195.237 2.197 10 0 AEAEHN CC[C@@H]1CNCC2(CCC(C)CC2)O1 83468286 573521294 /nfs/dbraw/zinc/52/12/94/573521294.db2.gz HVOWJCOHHBSBJK-MOENNCHZSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H]1CCC[C@]2(CC1)CNCCO2 83471447 573521307 /nfs/dbraw/zinc/52/13/07/573521307.db2.gz NCJXYBFRRJUPTL-NEPJUHHUSA-N 0 3 197.322 2.335 10 0 AEAEHN C[C@H]1COC2(CCCCCC2)CN1 83470770 573523322 /nfs/dbraw/zinc/52/33/22/573523322.db2.gz DZHBFODSBLPIHU-JTQLQIEISA-N 0 3 183.295 2.088 10 0 AEAEHN c1ccc2c(c1)NCC[C@H]2N1CCC1 257823701 573525959 /nfs/dbraw/zinc/52/59/59/573525959.db2.gz GPQYRKRAKKUNMT-GFCCVEGCSA-N 0 3 188.274 2.249 10 0 AEAEHN CC[C@H]1CNCC2(CCC(C)CC2)O1 83468288 573524516 /nfs/dbraw/zinc/52/45/16/573524516.db2.gz HVOWJCOHHBSBJK-CXQJBGSLSA-N 0 3 197.322 2.334 10 0 AEAEHN CNC1(c2ccccc2F)CC(F)C1 257827128 573524619 /nfs/dbraw/zinc/52/46/19/573524619.db2.gz HVDQFOZPHHNBGZ-UHFFFAOYSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@@H]1CNC[C@](C)(C2CCCCC2)O1 83471475 573524635 /nfs/dbraw/zinc/52/46/35/573524635.db2.gz GMJJPTOBLDBGAF-ZYHUDNBSSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CNCC2(CCCCCCC2)O1 83471968 573524991 /nfs/dbraw/zinc/52/49/91/573524991.db2.gz KGPRVSOCMSZMGN-LLVKDONJSA-N 0 3 197.322 2.478 10 0 AEAEHN CCC1CCC2(CC1)CNC[C@H](C)O2 83469132 573525106 /nfs/dbraw/zinc/52/51/06/573525106.db2.gz BTUFBHILFDCRHA-UNXYVOJBSA-N 0 3 197.322 2.334 10 0 AEAEHN CC1(C)CCC[C@@]2(CC1)CNCCO2 83471224 573525168 /nfs/dbraw/zinc/52/51/68/573525168.db2.gz SLLNGYPQPWKFKF-GFCCVEGCSA-N 0 3 197.322 2.335 10 0 AEAEHN C[C@H]1CNC[C@](C)(C2CCCCC2)O1 83471476 573525221 /nfs/dbraw/zinc/52/52/21/573525221.db2.gz GMJJPTOBLDBGAF-CMPLNLGQSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC(=O)CN1CCC[C@H](C)[C@@H]1C 50565877 573525732 /nfs/dbraw/zinc/52/57/32/573525732.db2.gz DTRIRYIKWTZQHA-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@H]1CCCN([C@@H]2CCCC2=O)[C@@H]1C 50565950 573525873 /nfs/dbraw/zinc/52/58/73/573525873.db2.gz YNDGSYFMSIWREO-HBNTYKKESA-N 0 3 195.306 2.228 10 0 AEAEHN CC(C)CC[C@]1(C)CNC[C@@H](C)O1 83472059 573525970 /nfs/dbraw/zinc/52/59/70/573525970.db2.gz PBRHVTILVJMWSC-GHMZBOCLSA-N 0 3 185.311 2.190 10 0 AEAEHN COc1ccccc1[C@H](F)C1(N)CC1 257827101 573526083 /nfs/dbraw/zinc/52/60/83/573526083.db2.gz HUIHEDHEVZZZKT-JTQLQIEISA-N 0 3 195.237 2.197 10 0 AEAEHN CC[C@H](C)[C@]1(C)CNC[C@@H](CC)O1 83472135 573527381 /nfs/dbraw/zinc/52/73/81/573527381.db2.gz RKENEFZWGWQDCH-AXFHLTTASA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@H]1CNC[C@@H](CC(C)(C)C)O1 83472178 573527439 /nfs/dbraw/zinc/52/74/39/573527439.db2.gz LQTPOCQBZYKMON-VHSXEESVSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@H](CC(C)(C)C)O1 83472173 573527472 /nfs/dbraw/zinc/52/74/72/573527472.db2.gz LQTPOCQBZYKMON-ZJUUUORDSA-N 0 3 185.311 2.190 10 0 AEAEHN CCC[C@@H](C)[C@@H]1CNCC(C)(C)O1 83473108 573527485 /nfs/dbraw/zinc/52/74/85/573527485.db2.gz UNHQRJLTNOXGIB-ZJUUUORDSA-N 0 3 185.311 2.190 10 0 AEAEHN CC(C)CC[C@@]1(C)CNC[C@@H](C)O1 83472062 573527676 /nfs/dbraw/zinc/52/76/76/573527676.db2.gz PBRHVTILVJMWSC-MNOVXSKESA-N 0 3 185.311 2.190 10 0 AEAEHN CC(C)CC[C@]1(C)CNC[C@H](C)O1 83472060 573527705 /nfs/dbraw/zinc/52/77/05/573527705.db2.gz PBRHVTILVJMWSC-WDEREUQCSA-N 0 3 185.311 2.190 10 0 AEAEHN C[C@@H]1CNC[C@]2(CCCC(C)(C)C2)O1 83472077 573527864 /nfs/dbraw/zinc/52/78/64/573527864.db2.gz TVVDWUBGMQISJT-ZYHUDNBSSA-N 0 3 197.322 2.334 10 0 AEAEHN CCC(CC)[C@H]1CNCC(C)(C)O1 83473028 573527937 /nfs/dbraw/zinc/52/79/37/573527937.db2.gz ZPNSCJYCKZZOCK-SNVBAGLBSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@@H](CC(C)(C)C)O1 83472176 573527996 /nfs/dbraw/zinc/52/79/96/573527996.db2.gz LQTPOCQBZYKMON-NXEZZACHSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@H]1CNC[C@](C)(C2CCCC2)O1 83472534 573528317 /nfs/dbraw/zinc/52/83/17/573528317.db2.gz XKFYSIRWBBYTLX-NWDGAFQWSA-N 0 3 197.322 2.334 10 0 AEAEHN CCC[C@H](C)[C@@H]1CNCC(C)(C)O1 83473109 573528547 /nfs/dbraw/zinc/52/85/47/573528547.db2.gz UNHQRJLTNOXGIB-UWVGGRQHSA-N 0 3 185.311 2.190 10 0 AEAEHN CCC[C@H](C)[C@H]1CNCC(C)(C)O1 83473112 573528631 /nfs/dbraw/zinc/52/86/31/573528631.db2.gz UNHQRJLTNOXGIB-VHSXEESVSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@@](C)(C2CCCC2)O1 83472527 573528648 /nfs/dbraw/zinc/52/86/48/573528648.db2.gz XKFYSIRWBBYTLX-NEPJUHHUSA-N 0 3 197.322 2.334 10 0 AEAEHN CCSC[C@H](NC)c1ccoc1 83485565 573528679 /nfs/dbraw/zinc/52/86/79/573528679.db2.gz RHQTWOVJYNDTHC-VIFPVBQESA-N 0 3 185.292 2.293 10 0 AEAEHN CCC[C@@H](C)[C@H]1CNCC(C)(C)O1 83473110 573528815 /nfs/dbraw/zinc/52/88/15/573528815.db2.gz UNHQRJLTNOXGIB-NXEZZACHSA-N 0 3 185.311 2.190 10 0 AEAEHN C[C@@H]1CNC[C@@]2(CCCC(C)(C)C2)O1 83472080 573530427 /nfs/dbraw/zinc/53/04/27/573530427.db2.gz TVVDWUBGMQISJT-PWSUYJOCSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H]1CNC[C@]2(CCC[C@@H](C)CC2)O1 83472050 573528966 /nfs/dbraw/zinc/52/89/66/573528966.db2.gz WJMODINUFRAMIA-GRYCIOLGSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H]1CNC[C@@H](C2CCCCC2)O1 83472672 573529051 /nfs/dbraw/zinc/52/90/51/573529051.db2.gz UQPYEBKHVSTGAE-NEPJUHHUSA-N 0 3 197.322 2.334 10 0 AEAEHN NC1([C@@H](F)c2ccc(F)cc2)CC1 257827979 573529163 /nfs/dbraw/zinc/52/91/63/573529163.db2.gz IBNCHEDXOUQPEZ-VIFPVBQESA-N 0 3 183.201 2.328 10 0 AEAEHN C[C@H]1CNC[C@@]2(CCC[C@@H](C)CC2)O1 83472054 573529194 /nfs/dbraw/zinc/52/91/94/573529194.db2.gz WJMODINUFRAMIA-WOPDTQHZSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H](C)[C@@]1(C)CNC[C@@H](CC)O1 83472141 573529207 /nfs/dbraw/zinc/52/92/07/573529207.db2.gz RKENEFZWGWQDCH-HBNTYKKESA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@H]1CNC[C@@](C)(C2CCCC2)O1 83472530 573529240 /nfs/dbraw/zinc/52/92/40/573529240.db2.gz XKFYSIRWBBYTLX-RYUDHWBXSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H]1CNC[C@@]2(CCCC(C)(C)C2)O1 83472082 573529324 /nfs/dbraw/zinc/52/93/24/573529324.db2.gz TVVDWUBGMQISJT-JQWIXIFHSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H]1CNC[C@@H](C2CCCCC2)O1 83472674 573529360 /nfs/dbraw/zinc/52/93/60/573529360.db2.gz UQPYEBKHVSTGAE-RYUDHWBXSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H]1CNC[C@H](C2CCCCC2)O1 83472669 573529498 /nfs/dbraw/zinc/52/94/98/573529498.db2.gz UQPYEBKHVSTGAE-VXGBXAGGSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(C)(C)C[C@H]1CNCC(C)(C)O1 83472873 573529531 /nfs/dbraw/zinc/52/95/31/573529531.db2.gz HJCGBSHCSJANJM-VIFPVBQESA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@H]1CNC[C@@]2(CC[C@@H](CC)C2)O1 83472303 573529760 /nfs/dbraw/zinc/52/97/60/573529760.db2.gz MJKDSWZGZQOWFY-WOPDTQHZSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H]1CNC[C@]2(CC[C@@H](CC)C2)O1 83472299 573529854 /nfs/dbraw/zinc/52/98/54/573529854.db2.gz MJKDSWZGZQOWFY-GRYCIOLGSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CCN=C(NC(C)(C)C)S1 238429753 573530488 /nfs/dbraw/zinc/53/04/88/573530488.db2.gz MSOLPLUDGURRIB-SSDOTTSWSA-N 0 3 186.324 2.256 10 0 AEAEHN NC1([C@H](F)c2ccc(F)cc2)CC1 257827978 573529896 /nfs/dbraw/zinc/52/98/96/573529896.db2.gz IBNCHEDXOUQPEZ-SECBINFHSA-N 0 3 183.201 2.328 10 0 AEAEHN CC1(C)CNC[C@@H](C2CCCCC2)O1 83473136 573529993 /nfs/dbraw/zinc/52/99/93/573529993.db2.gz XMOYNKKAJNACRD-NSHDSACASA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H](N)c1cncn1[C@H](C)CC1CC1 130403106 573530187 /nfs/dbraw/zinc/53/01/87/573530187.db2.gz YZYCHHYNRDKKFR-RKDXNWHRSA-N 0 3 193.294 2.264 10 0 AEAEHN CC[C@H]1CNC[C@@](C)(CC(C)C)O1 83472211 573530197 /nfs/dbraw/zinc/53/01/97/573530197.db2.gz QBPULEPIOVJIOC-WDEREUQCSA-N 0 3 185.311 2.190 10 0 AEAEHN CCSC[C@@H](N)c1ccoc1 83485278 573530767 /nfs/dbraw/zinc/53/07/67/573530767.db2.gz GFFBRTRVEAJBOP-MRVPVSSYSA-N 0 3 171.265 2.033 10 0 AEAEHN CC[C@H]1CNC[C@H](CC(C)(C)C)O1 83472175 573530934 /nfs/dbraw/zinc/53/09/34/573530934.db2.gz LQTPOCQBZYKMON-UWVGGRQHSA-N 0 3 185.311 2.190 10 0 AEAEHN CC(C)(C)C[C@@H]1CNCC(C)(C)O1 83472875 573531114 /nfs/dbraw/zinc/53/11/14/573531114.db2.gz HJCGBSHCSJANJM-SECBINFHSA-N 0 3 185.311 2.190 10 0 AEAEHN CN[C@@H](OC)c1c[nH]c2ccccc12 259111397 573531825 /nfs/dbraw/zinc/53/18/25/573531825.db2.gz FSDHCCSIMPOWIT-NSHDSACASA-N 0 3 190.246 2.032 10 0 AEAEHN CN1CCC(O)(CCC(C)(C)C)CC1 83503505 573534427 /nfs/dbraw/zinc/53/44/27/573534427.db2.gz LWDCLUXTDCFNNS-UHFFFAOYSA-N 0 3 199.338 2.269 10 0 AEAEHN CN1CCC(O)(CC2CCCC2)CC1 83503518 573535220 /nfs/dbraw/zinc/53/52/20/573535220.db2.gz BTHFJRLQRPKIMC-UHFFFAOYSA-N 0 3 197.322 2.023 10 0 AEAEHN Cc1[nH]c(C(C)(C)N)nc1C(C)C 258758284 573532766 /nfs/dbraw/zinc/53/27/66/573532766.db2.gz RWIRDEWFRZNCBA-UHFFFAOYSA-N 0 3 181.283 2.035 10 0 AEAEHN Cc1nc(C(C)(C)N)[nH]c1C(C)C 258758284 573532769 /nfs/dbraw/zinc/53/27/69/573532769.db2.gz RWIRDEWFRZNCBA-UHFFFAOYSA-N 0 3 181.283 2.035 10 0 AEAEHN CCc1ccc([C@@H](F)CNC)cc1 257828348 573532852 /nfs/dbraw/zinc/53/28/52/573532852.db2.gz IIXHQOHUGDAXAO-NSHDSACASA-N 0 3 181.254 2.479 10 0 AEAEHN CCNCc1cc2cc(N)ccc2o1 258054154 573533296 /nfs/dbraw/zinc/53/32/96/573533296.db2.gz OLWCAYQKIKFMJO-UHFFFAOYSA-N 0 3 190.246 2.125 10 0 AEAEHN Cc1ccc(C[C@H](F)C2(N)CC2)cc1 257828892 573535271 /nfs/dbraw/zinc/53/52/71/573535271.db2.gz IKYSLYRHBAZPHS-NSHDSACASA-N 0 3 193.265 2.367 10 0 AEAEHN CCCc1c(CN)cnn1C(C)(C)C 257828454 573534398 /nfs/dbraw/zinc/53/43/98/573534398.db2.gz IILAPPHKRMWPNA-UHFFFAOYSA-N 0 3 195.310 2.049 10 0 AEAEHN Cc1ccc(C[C@@H](F)C2(N)CC2)cc1 257828533 573534935 /nfs/dbraw/zinc/53/49/35/573534935.db2.gz IKYSLYRHBAZPHS-LLVKDONJSA-N 0 3 193.265 2.367 10 0 AEAEHN C[C@H](c1ccccc1)n1cncc1N 238430466 573538372 /nfs/dbraw/zinc/53/83/72/573538372.db2.gz QOLWLDOEHAOXHA-SECBINFHSA-N 0 3 187.246 2.075 10 0 AEAEHN NC1(c2cc(-c3ccccc3)n[nH]2)CC1 257829555 573538395 /nfs/dbraw/zinc/53/83/95/573538395.db2.gz GWFPLLAEDYHAED-UHFFFAOYSA-N 0 3 199.257 2.025 10 0 AEAEHN CN[C@H](C)[C@@H](F)Cc1ccc(F)cc1 257829557 573538523 /nfs/dbraw/zinc/53/85/23/573538523.db2.gz GWGUHQGUPAMWHX-KCJUWKMLSA-N 0 3 199.244 2.314 10 0 AEAEHN C[C@H](N)c1cnc(Cl)cc1Cl 238435185 573540080 /nfs/dbraw/zinc/54/00/80/573540080.db2.gz LAFQLLOQVXRFEL-BYPYZUCNSA-N 0 3 191.061 2.408 10 0 AEAEHN CN[C@H](C)[C@H](F)Cc1ccc(F)cc1 257829559 573539173 /nfs/dbraw/zinc/53/91/73/573539173.db2.gz GWGUHQGUPAMWHX-LDYMZIIASA-N 0 3 199.244 2.314 10 0 AEAEHN CNC[C@](C)(F)c1ccccc1OC 257829335 573539239 /nfs/dbraw/zinc/53/92/39/573539239.db2.gz IWVLQPDBHUDHNK-NSHDSACASA-N 0 3 197.253 2.099 10 0 AEAEHN Fc1ccccc1[C@H](F)[C@@H]1CCN1 257829473 573539338 /nfs/dbraw/zinc/53/93/38/573539338.db2.gz IXNOHEUZUWCWPA-UWVGGRQHSA-N 0 3 183.201 2.198 10 0 AEAEHN Fc1ccccc1[C@H](F)[C@H]1CCN1 257829475 573539501 /nfs/dbraw/zinc/53/95/01/573539501.db2.gz IXNOHEUZUWCWPA-ZJUUUORDSA-N 0 3 183.201 2.198 10 0 AEAEHN NC1([C@H](F)c2ccccc2O)CCC1 257824337 573540354 /nfs/dbraw/zinc/54/03/54/573540354.db2.gz GTPPHVYWJSXBPX-SNVBAGLBSA-N 0 3 195.237 2.284 10 0 AEAEHN NC1([C@@H](F)c2ccccc2O)CCC1 257824336 573540888 /nfs/dbraw/zinc/54/08/88/573540888.db2.gz GTPPHVYWJSXBPX-JTQLQIEISA-N 0 3 195.237 2.284 10 0 AEAEHN Cc1cc([O-])c(F)c(CCCC[NH3+])c1 258056449 573541098 /nfs/dbraw/zinc/54/10/98/573541098.db2.gz LCUUUKYODSFMQQ-UHFFFAOYSA-N 0 3 197.253 2.121 10 0 AEAEHN CNC[C@@](C)(F)c1ccccc1OC 257829334 573541204 /nfs/dbraw/zinc/54/12/04/573541204.db2.gz IWVLQPDBHUDHNK-LLVKDONJSA-N 0 3 197.253 2.099 10 0 AEAEHN CCCCN[C@H](C)c1cnc(C)cn1 308614722 573541275 /nfs/dbraw/zinc/54/12/75/573541275.db2.gz RMFLKYLFCCIAMX-SNVBAGLBSA-N 0 3 193.294 2.236 10 0 AEAEHN CCCCN[C@@H](C)c1cnc(C)cn1 308614720 573541287 /nfs/dbraw/zinc/54/12/87/573541287.db2.gz RMFLKYLFCCIAMX-JTQLQIEISA-N 0 3 193.294 2.236 10 0 AEAEHN C[C@H](N)c1ccoc1C(F)(F)F 238434663 573543735 /nfs/dbraw/zinc/54/37/35/573543735.db2.gz PNWIYHPNQFOKQV-BYPYZUCNSA-N 0 3 179.141 2.318 10 0 AEAEHN CCc1ccc(CN[C@H]2C[C@@H]2C)cn1 308627540 573544103 /nfs/dbraw/zinc/54/41/03/573544103.db2.gz XGADMYDKCKWYIP-CABZTGNLSA-N 0 3 190.290 2.142 10 0 AEAEHN CCc1ccc(CN[C@@H]2C[C@@H]2C)cn1 308627541 573545022 /nfs/dbraw/zinc/54/50/22/573545022.db2.gz XGADMYDKCKWYIP-JOYOIKCWSA-N 0 3 190.290 2.142 10 0 AEAEHN CC[C@H](CCOC)NCc1ccoc1 308627627 573545529 /nfs/dbraw/zinc/54/55/29/573545529.db2.gz XIVLGYNHFYMFPD-LLVKDONJSA-N 0 3 197.278 2.184 10 0 AEAEHN C[C@H](N)c1cscc1Cl 238436364 573545399 /nfs/dbraw/zinc/54/53/99/573545399.db2.gz YGWGZFCOWMXQGL-BYPYZUCNSA-N 0 3 161.657 2.421 10 0 AEAEHN CCCCCN1CCC(=O)C(C)(C)C1 259119371 573545421 /nfs/dbraw/zinc/54/54/21/573545421.db2.gz BZUGEOYMOABOJF-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CNc1nc(CCC(C)C)c[nH]1 258770155 573545843 /nfs/dbraw/zinc/54/58/43/573545843.db2.gz LDJMDLVOAGZNCG-UHFFFAOYSA-N 0 3 167.256 2.040 10 0 AEAEHN CNCc1cnc(-c2cccs2)o1 258062880 573547080 /nfs/dbraw/zinc/54/70/80/573547080.db2.gz LMCDZKDMGNGNAL-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN CNCc1cn(C2CCCCC2)cn1 107357781 573547397 /nfs/dbraw/zinc/54/73/97/573547397.db2.gz WUVQSQYZLHRTHC-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN C[C@H](N)c1cocc1C(F)(F)F 238436138 573547689 /nfs/dbraw/zinc/54/76/89/573547689.db2.gz LWURXOJOFFVRRS-BYPYZUCNSA-N 0 3 179.141 2.318 10 0 AEAEHN CCc1ccc(CN[C@@H]2C[C@H]2C)cn1 308627539 573547712 /nfs/dbraw/zinc/54/77/12/573547712.db2.gz XGADMYDKCKWYIP-BXKDBHETSA-N 0 3 190.290 2.142 10 0 AEAEHN CCOc1ccccc1[C@H](F)CNC 257826129 573547718 /nfs/dbraw/zinc/54/77/18/573547718.db2.gz HBQLEBSODCRMLR-SNVBAGLBSA-N 0 3 197.253 2.315 10 0 AEAEHN COc1c(C)c(C)cc(C)c1CN 259118987 573547870 /nfs/dbraw/zinc/54/78/70/573547870.db2.gz LKDJBAKHQCNRTI-UHFFFAOYSA-N 0 3 179.263 2.079 10 0 AEAEHN C[C@](F)(c1ccccc1)[C@@H]1CCN1 257825983 573548349 /nfs/dbraw/zinc/54/83/49/573548349.db2.gz HHOSJKVFGUTUGO-QWRGUYRKSA-N 0 3 179.238 2.233 10 0 AEAEHN CNCc1onc2ccc(Cl)cc12 257826210 573548657 /nfs/dbraw/zinc/54/86/57/573548657.db2.gz HLGXQDNBVHRBHQ-UHFFFAOYSA-N 0 3 196.637 2.201 10 0 AEAEHN CCOc1ccccc1[C@@H](F)CNC 257826127 573548703 /nfs/dbraw/zinc/54/87/03/573548703.db2.gz HBQLEBSODCRMLR-JTQLQIEISA-N 0 3 197.253 2.315 10 0 AEAEHN C[C@H](N)c1[nH]c2ccccc2c1F 238437951 573551742 /nfs/dbraw/zinc/55/17/42/573551742.db2.gz DSYCGGLSQMNGSX-LURJTMIESA-N 0 3 178.210 2.327 10 0 AEAEHN C[C@@](F)(c1ccccc1)[C@H]1CCN1 257825981 573550282 /nfs/dbraw/zinc/55/02/82/573550282.db2.gz HHOSJKVFGUTUGO-GHMZBOCLSA-N 0 3 179.238 2.233 10 0 AEAEHN C[C@@H](N)[C@@H](F)Sc1ccccc1 197393077 573550523 /nfs/dbraw/zinc/55/05/23/573550523.db2.gz XODCSGUFAHSOEK-APPZFPTMSA-N 0 3 185.267 2.422 10 0 AEAEHN C[C@H](N)c1c(F)ccc2c1OCCC2 238438183 573550573 /nfs/dbraw/zinc/55/05/73/573550573.db2.gz LSPJQOWSQBZJQQ-ZETCQYMHSA-N 0 3 195.237 2.170 10 0 AEAEHN NC1(c2nc(C3CCCC3)c[nH]2)CC1 257825823 573550666 /nfs/dbraw/zinc/55/06/66/573550666.db2.gz HIZZCDNUICNLNY-UHFFFAOYSA-N 0 3 191.278 2.015 10 0 AEAEHN NC1(c2nc(C3CC3)c[nH]2)CCCC1 257826199 573550693 /nfs/dbraw/zinc/55/06/93/573550693.db2.gz HKTVKFYBRNLJNL-UHFFFAOYSA-N 0 3 191.278 2.015 10 0 AEAEHN C[C@@](F)(c1ccccc1)[C@@H]1CCN1 257825984 573550954 /nfs/dbraw/zinc/55/09/54/573550954.db2.gz HHOSJKVFGUTUGO-WDEREUQCSA-N 0 3 179.238 2.233 10 0 AEAEHN C[C@](F)(c1ccccc1)[C@H]1CCN1 257825982 573550992 /nfs/dbraw/zinc/55/09/92/573550992.db2.gz HHOSJKVFGUTUGO-MNOVXSKESA-N 0 3 179.238 2.233 10 0 AEAEHN Cc1ccc(N[C@@H]2CCCN2)cc1 257826037 573551210 /nfs/dbraw/zinc/55/12/10/573551210.db2.gz HKOKHRSDDHFKSX-LLVKDONJSA-N 0 3 176.263 2.116 10 0 AEAEHN C[C@@H](c1cc(N)ccc1F)N(C)C 257826031 573551237 /nfs/dbraw/zinc/55/12/37/573551237.db2.gz HJUAFIBFJWSKLX-ZETCQYMHSA-N 0 3 182.242 2.031 10 0 AEAEHN CNC[C@H](F)c1cccc(C)c1OC 257825527 573551295 /nfs/dbraw/zinc/55/12/95/573551295.db2.gz GQDIWNGXOQOKPF-JTQLQIEISA-N 0 3 197.253 2.234 10 0 AEAEHN CNC[C@@H](F)c1cccc(C)c1OC 257825528 573551426 /nfs/dbraw/zinc/55/14/26/573551426.db2.gz GQDIWNGXOQOKPF-SNVBAGLBSA-N 0 3 197.253 2.234 10 0 AEAEHN C[C@H](c1ccccc1)[C@H]1NCCCO1 238437161 573551640 /nfs/dbraw/zinc/55/16/40/573551640.db2.gz LGVNIXNMKVVHJG-PWSUYJOCSA-N 0 3 191.274 2.126 10 0 AEAEHN C[C@](F)(CN)c1ccc(Cl)o1 257830104 573552695 /nfs/dbraw/zinc/55/26/95/573552695.db2.gz JIJHDKWQYREDAN-ZETCQYMHSA-N 0 3 177.606 2.076 10 0 AEAEHN NCc1cnccc1Nc1ccccc1 258063021 573553122 /nfs/dbraw/zinc/55/31/22/573553122.db2.gz KWBDZWPFBHAFIW-UHFFFAOYSA-N 0 3 199.257 2.284 10 0 AEAEHN FC(F)(C1CCC1)[C@@H]1CCCN1 257830216 573553133 /nfs/dbraw/zinc/55/31/33/573553133.db2.gz JDXZEBIMYDNWQU-QMMMGPOBSA-N 0 3 175.222 2.174 10 0 AEAEHN CCc1cc(CNC2CC(C)C2)on1 308630367 573553159 /nfs/dbraw/zinc/55/31/59/573553159.db2.gz YRITZDPTWHQEEW-UHFFFAOYSA-N 0 3 194.278 2.125 10 0 AEAEHN CCC[C@H](C)C[C@@H](N)c1cnsn1 162422370 573553351 /nfs/dbraw/zinc/55/33/51/573553351.db2.gz PRXXGADSQQYWSI-JGVFFNPUSA-N 0 3 199.323 2.364 10 0 AEAEHN C[C@@](F)(CN)c1ccc(Cl)o1 257830103 573553437 /nfs/dbraw/zinc/55/34/37/573553437.db2.gz JIJHDKWQYREDAN-SSDOTTSWSA-N 0 3 177.606 2.076 10 0 AEAEHN Cc1cccc(C[C@H](F)[C@@H](C)N)c1 257826470 573553814 /nfs/dbraw/zinc/55/38/14/573553814.db2.gz HNFLCBAAAODWPH-KOLCDFICSA-N 0 3 181.254 2.223 10 0 AEAEHN CCc1c(OC2CC2)ccnc1NC 95724107 573554295 /nfs/dbraw/zinc/55/42/95/573554295.db2.gz DLTOEYWWIGKWMB-UHFFFAOYSA-N 0 3 192.262 2.227 10 0 AEAEHN N[C@@H]1CCn2c1cc1cc(F)ccc12 257830258 573554411 /nfs/dbraw/zinc/55/44/11/573554411.db2.gz IZIKYEPUKIIQIH-SECBINFHSA-N 0 3 190.221 2.184 10 0 AEAEHN N[C@H]1CCn2c1cc1cc(F)ccc12 257830261 573555517 /nfs/dbraw/zinc/55/55/17/573555517.db2.gz IZIKYEPUKIIQIH-VIFPVBQESA-N 0 3 190.221 2.184 10 0 AEAEHN NCc1cc(C2CCCC2)ns1 75396390 573556716 /nfs/dbraw/zinc/55/67/16/573556716.db2.gz MTGOXHSYPSNUNU-UHFFFAOYSA-N 0 3 182.292 2.259 10 0 AEAEHN N[C@@H](CC1CC1)c1ccncc1F 83574360 573557355 /nfs/dbraw/zinc/55/73/55/573557355.db2.gz LCEAOUKDHXAJLU-JTQLQIEISA-N 0 3 180.226 2.021 10 0 AEAEHN CCCC[C@H](N)c1ccncc1F 83574341 573557587 /nfs/dbraw/zinc/55/75/87/573557587.db2.gz ICNTYBGSQCSZRG-JTQLQIEISA-N 0 3 182.242 2.411 10 0 AEAEHN CC(C)CCCn1cncc1[C@H](C)N 130374229 573558551 /nfs/dbraw/zinc/55/85/51/573558551.db2.gz KONRYQJUIFXRCS-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@H](N)c1ncccc1F 83574295 573558572 /nfs/dbraw/zinc/55/85/72/573558572.db2.gz NAOSHSOYDLYHDR-QMMMGPOBSA-N 0 3 168.215 2.021 10 0 AEAEHN CC[C@@H](C)Nc1ccccc1CN 86679541 573558736 /nfs/dbraw/zinc/55/87/36/573558736.db2.gz VYXWXWULHQOSNX-SECBINFHSA-N 0 3 178.279 2.356 10 0 AEAEHN Cn1ccc([C@H](N)C2CCCCC2)n1 83573574 573559483 /nfs/dbraw/zinc/55/94/83/573559483.db2.gz LYXJECCHZOOSHX-LLVKDONJSA-N 0 3 193.294 2.000 10 0 AEAEHN CCC[C@@H](N)c1ncccc1F 83574298 573559223 /nfs/dbraw/zinc/55/92/23/573559223.db2.gz NAOSHSOYDLYHDR-MRVPVSSYSA-N 0 3 168.215 2.021 10 0 AEAEHN COc1ccccc1[C@H](F)[C@@H](C)N 257831056 573559316 /nfs/dbraw/zinc/55/93/16/573559316.db2.gz JKNFUFRSLDOYLC-GMSGAONNSA-N 0 3 183.226 2.053 10 0 AEAEHN CN[C@H](CCC(C)=O)c1ccc(C)o1 259509375 573560755 /nfs/dbraw/zinc/56/07/55/573560755.db2.gz SQPSVUBJHAQZGF-SNVBAGLBSA-N 0 3 195.262 2.218 10 0 AEAEHN N[C@H](CC1CC1)c1ccncc1F 83574357 573560891 /nfs/dbraw/zinc/56/08/91/573560891.db2.gz LCEAOUKDHXAJLU-SNVBAGLBSA-N 0 3 180.226 2.021 10 0 AEAEHN Cc1nc(C2CCCCC2)[nH]c1CN 75407061 573561457 /nfs/dbraw/zinc/56/14/57/573561457.db2.gz PLKYGRIKPXAWGN-UHFFFAOYSA-N 0 3 193.294 2.225 10 0 AEAEHN CCC[C@H](NCc1cc[nH]n1)C1CC1 126526420 573561514 /nfs/dbraw/zinc/56/15/14/573561514.db2.gz SQALQVUSCJRDON-NSHDSACASA-N 0 3 193.294 2.078 10 0 AEAEHN C[C@H](N)c1cc2cc[nH]c2c(Cl)n1 238440282 573561964 /nfs/dbraw/zinc/56/19/64/573561964.db2.gz NUQVZYWQHGXWCM-YFKPBYRVSA-N 0 3 195.653 2.236 10 0 AEAEHN CC(C)(C)c1nc(C2CC2)[nH]c1CN 75407097 573561988 /nfs/dbraw/zinc/56/19/88/573561988.db2.gz FTUKDBFOCPSNDG-UHFFFAOYSA-N 0 3 193.294 2.043 10 0 AEAEHN COc1ccccc1[C@@H](F)[C@H](C)N 257831060 573562001 /nfs/dbraw/zinc/56/20/01/573562001.db2.gz JKNFUFRSLDOYLC-XVKPBYJWSA-N 0 3 183.226 2.053 10 0 AEAEHN CCc1ccc(F)c(C2(N)CC2)c1F 258061790 573562060 /nfs/dbraw/zinc/56/20/60/573562060.db2.gz LKCQTXSDGFTUHU-UHFFFAOYSA-N 0 3 197.228 2.475 10 0 AEAEHN CN[C@@H](CCC(C)=O)c1ccc(C)o1 259509374 573562387 /nfs/dbraw/zinc/56/23/87/573562387.db2.gz SQPSVUBJHAQZGF-JTQLQIEISA-N 0 3 195.262 2.218 10 0 AEAEHN Cc1cn(C(C)C)nc1CNC(C)C 308622211 573562692 /nfs/dbraw/zinc/56/26/92/573562692.db2.gz ULUALYNDFITSHS-UHFFFAOYSA-N 0 3 195.310 2.270 10 0 AEAEHN Cc1ccc(SC[C@@H](F)CN)cc1 257831702 573563144 /nfs/dbraw/zinc/56/31/44/573563144.db2.gz HQMGUUZKFSQZGJ-VIFPVBQESA-N 0 3 199.294 2.384 10 0 AEAEHN COc1ccccc1[C@@H](F)[C@H]1CCN1 257831539 573563473 /nfs/dbraw/zinc/56/34/73/573563473.db2.gz JLECPFAILICHQA-MWLCHTKSSA-N 0 3 195.237 2.068 10 0 AEAEHN CCc1cc([C@H](C)N)nn1C(C)(C)C 257831435 573563893 /nfs/dbraw/zinc/56/38/93/573563893.db2.gz JKBHWLRTDYNMPH-QMMMGPOBSA-N 0 3 195.310 2.220 10 0 AEAEHN COc1ccccc1[C@H](F)[C@@H]1CCN1 257831541 573564013 /nfs/dbraw/zinc/56/40/13/573564013.db2.gz JLECPFAILICHQA-ONGXEEELSA-N 0 3 195.237 2.068 10 0 AEAEHN CC[C@H]1OC[C@@H](CC(C)C)N[C@@H]1C 40797624 573564021 /nfs/dbraw/zinc/56/40/21/573564021.db2.gz PDSJESVDBFWEDT-GMTAPVOTSA-N 0 3 185.311 2.188 10 0 AEAEHN COc1ccccc1[C@@H](F)[C@@H]1CCN1 257831532 573564040 /nfs/dbraw/zinc/56/40/40/573564040.db2.gz JLECPFAILICHQA-GXSJLCMTSA-N 0 3 195.237 2.068 10 0 AEAEHN CC1=C(C(C)C)SCCN1 145244591 573564447 /nfs/dbraw/zinc/56/44/47/573564447.db2.gz SDYQMGBGVGKPCR-UHFFFAOYSA-N 0 3 157.282 2.210 10 0 AEAEHN CN[C@H](C)c1onc2ccccc12 257831503 573564822 /nfs/dbraw/zinc/56/48/22/573564822.db2.gz JRNQXJAFPIKMLQ-SSDOTTSWSA-N 0 3 176.219 2.108 10 0 AEAEHN Cc1ccc(C(C)C)cc1[C@H](N)O 259113103 573566520 /nfs/dbraw/zinc/56/65/20/573566520.db2.gz ABGSOMGMSSDNBT-LLVKDONJSA-N 0 3 179.263 2.068 10 0 AEAEHN Cc1ccc(C(C)C)cc1[C@@H](N)O 259113106 573566164 /nfs/dbraw/zinc/56/61/64/573566164.db2.gz ABGSOMGMSSDNBT-NSHDSACASA-N 0 3 179.263 2.068 10 0 AEAEHN CCN(CC)c1ccc(F)c(CN)c1 86682032 573566109 /nfs/dbraw/zinc/56/61/09/573566109.db2.gz MXEVMLHFISQMQW-UHFFFAOYSA-N 0 3 196.269 2.131 10 0 AEAEHN CC(C)c1cc(CN)nn1C(C)C 257831354 573566121 /nfs/dbraw/zinc/56/61/21/573566121.db2.gz JOKNBTPFDKQAEI-UHFFFAOYSA-N 0 3 181.283 2.046 10 0 AEAEHN COc1ccc([C@H](F)C2(N)CC2)cc1 257831475 573566140 /nfs/dbraw/zinc/56/61/40/573566140.db2.gz JKNCQJSKNNABKK-JTQLQIEISA-N 0 3 195.237 2.197 10 0 AEAEHN CNC[C@H](F)c1cccc(F)c1 220793485 573566472 /nfs/dbraw/zinc/56/64/72/573566472.db2.gz QMWRULVKPBYCSY-VIFPVBQESA-N 0 3 171.190 2.056 10 0 AEAEHN CCC1CC(NCc2cc(C)no2)C1 308623455 573566811 /nfs/dbraw/zinc/56/68/11/573566811.db2.gz UWUNZEHBEOPUMW-UHFFFAOYSA-N 0 3 194.278 2.261 10 0 AEAEHN CC[C@@H](C)Nc1ccc(F)c(CN)c1 86682054 573567004 /nfs/dbraw/zinc/56/70/04/573567004.db2.gz DZJSEMHLEREPGH-MRVPVSSYSA-N 0 3 196.269 2.495 10 0 AEAEHN NNc1ccc2nc3cc[nH]cc-3c2c1 259513832 573569042 /nfs/dbraw/zinc/56/90/42/573569042.db2.gz RAXFHQAFLHGGMB-UHFFFAOYSA-N 0 3 198.229 2.002 10 0 AEAEHN CN[C@@H](CCCCF)c1ccccn1 308624537 573569465 /nfs/dbraw/zinc/56/94/65/573569465.db2.gz VLDSYSZRYFRTPF-JTQLQIEISA-N 0 3 196.269 2.482 10 0 AEAEHN CN[C@H](C)[C@H](F)c1cccc(OC)c1 257831958 573569378 /nfs/dbraw/zinc/56/93/78/573569378.db2.gz JQAATLKASBQVQJ-KCJUWKMLSA-N 0 3 197.253 2.314 10 0 AEAEHN CCc1cc2c(o1)CC[C@H]2NC 107402221 573571135 /nfs/dbraw/zinc/57/11/35/573571135.db2.gz IEFRSZGUFLTXJT-SECBINFHSA-N 0 3 165.236 2.049 10 0 AEAEHN CC(C)c1cc2c(o1)[C@@H](N)CC2 107402268 573571146 /nfs/dbraw/zinc/57/11/46/573571146.db2.gz XYDFCVWUGQBCSO-QMMMGPOBSA-N 0 3 165.236 2.349 10 0 AEAEHN CCc1cc2c(o1)[C@@H](NC)CC2 107402218 573571375 /nfs/dbraw/zinc/57/13/75/573571375.db2.gz JATPNWJLKQJMSS-VIFPVBQESA-N 0 3 165.236 2.049 10 0 AEAEHN CN[C@H]1CCCc2oc(C)cc21 107402222 573571869 /nfs/dbraw/zinc/57/18/69/573571869.db2.gz SWFZOSTYGRBVJI-VIFPVBQESA-N 0 3 165.236 2.185 10 0 AEAEHN CN[C@@H]1CCCc2oc(C)cc21 107402223 573571901 /nfs/dbraw/zinc/57/19/01/573571901.db2.gz SWFZOSTYGRBVJI-SECBINFHSA-N 0 3 165.236 2.185 10 0 AEAEHN CCc1cc2c(o1)[C@H](NC)CC2 107402216 573572261 /nfs/dbraw/zinc/57/22/61/573572261.db2.gz JATPNWJLKQJMSS-SECBINFHSA-N 0 3 165.236 2.049 10 0 AEAEHN CCc1cc2c(o1)CC[C@@H]2NC 107402220 573572435 /nfs/dbraw/zinc/57/24/35/573572435.db2.gz IEFRSZGUFLTXJT-VIFPVBQESA-N 0 3 165.236 2.049 10 0 AEAEHN CN[C@@H]1CCCc2cc(C)oc21 107402209 573573935 /nfs/dbraw/zinc/57/39/35/573573935.db2.gz OUDNGZPCXWGSGC-SECBINFHSA-N 0 3 165.236 2.185 10 0 AEAEHN CCc1cc2c(o1)[C@H](N)CCC2 107402265 573573951 /nfs/dbraw/zinc/57/39/51/573573951.db2.gz ZFXGEKUQADRVJS-SECBINFHSA-N 0 3 165.236 2.178 10 0 AEAEHN CC(C)c1cc2c(o1)[C@H](N)CC2 107402267 573573968 /nfs/dbraw/zinc/57/39/68/573573968.db2.gz XYDFCVWUGQBCSO-MRVPVSSYSA-N 0 3 165.236 2.349 10 0 AEAEHN C[C@@H]([NH2+]C(C)(C)C)c1ccc([O-])cn1 145274175 573574135 /nfs/dbraw/zinc/57/41/35/573574135.db2.gz AZILZWLDSJMEPY-MRVPVSSYSA-N 0 3 194.278 2.236 10 0 AEAEHN Fc1cc2c(cc1Cl)CNC2 145269450 573574254 /nfs/dbraw/zinc/57/42/54/573574254.db2.gz XNXGLILTXTUGQR-UHFFFAOYSA-N 0 3 171.602 2.082 10 0 AEAEHN CCc1cc2c(o1)[C@@H](N)CCC2 107402266 573574752 /nfs/dbraw/zinc/57/47/52/573574752.db2.gz ZFXGEKUQADRVJS-VIFPVBQESA-N 0 3 165.236 2.178 10 0 AEAEHN CCCC[C@H](N)c1cc(C)cnc1N 78677280 573576087 /nfs/dbraw/zinc/57/60/87/573576087.db2.gz SSGNGGBZVGVHTI-JTQLQIEISA-N 0 3 193.294 2.162 10 0 AEAEHN Cc1ccnc([C@@H](N)CC2CC2)c1 78677837 573574823 /nfs/dbraw/zinc/57/48/23/573574823.db2.gz SWVIGRDQYZHMOR-JTQLQIEISA-N 0 3 176.263 2.190 10 0 AEAEHN CC1CN([C@@H](C)c2ccccc2N)C1 86687909 573575866 /nfs/dbraw/zinc/57/58/66/573575866.db2.gz VJBAARVHSNTKQI-JTQLQIEISA-N 0 3 190.290 2.282 10 0 AEAEHN Cc1ccc2noc(C3(N)CC3)c2c1 257833021 573575959 /nfs/dbraw/zinc/57/59/59/573575959.db2.gz JXDSGDKLZOYHGR-UHFFFAOYSA-N 0 3 188.230 2.084 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1cc(C)cc(F)c1 86693730 573575989 /nfs/dbraw/zinc/57/59/89/573575989.db2.gz MUHRWEXULQENMS-GZMMTYOYSA-N 0 3 197.253 2.169 10 0 AEAEHN CC1(C)CN(Cc2ccccc2N)C1 86688181 573576045 /nfs/dbraw/zinc/57/60/45/573576045.db2.gz LVDKXASZZFCYSQ-UHFFFAOYSA-N 0 3 190.290 2.111 10 0 AEAEHN CCO[C@@H]1C[C@H]1NCc1ccsc1 308401245 573576051 /nfs/dbraw/zinc/57/60/51/573576051.db2.gz HDZABCVJUSBUHD-NXEZZACHSA-N 0 3 197.303 2.015 10 0 AEAEHN Cc1cccnc1[C@H](N)CC1CC1 78677825 573576629 /nfs/dbraw/zinc/57/66/29/573576629.db2.gz HPYDTSGECDUXNV-SNVBAGLBSA-N 0 3 176.263 2.190 10 0 AEAEHN N[C@H](CC1CC1)c1ccoc1 78677478 573576155 /nfs/dbraw/zinc/57/61/55/573576155.db2.gz SKDUSORGBIFWMH-SECBINFHSA-N 0 3 151.209 2.080 10 0 AEAEHN Cc1ccnc([C@H](N)CC2CC2)c1 78677834 573576397 /nfs/dbraw/zinc/57/63/97/573576397.db2.gz SWVIGRDQYZHMOR-SNVBAGLBSA-N 0 3 176.263 2.190 10 0 AEAEHN Cc1cc(F)cc(CNC2CC2)c1 86693459 573576463 /nfs/dbraw/zinc/57/64/63/573576463.db2.gz MDDMXBFZVQVREW-UHFFFAOYSA-N 0 3 179.238 2.386 10 0 AEAEHN N[C@H](CC1CC1)c1ccc(F)cn1 78677794 573577817 /nfs/dbraw/zinc/57/78/17/573577817.db2.gz OABFNASYUBMJOH-SECBINFHSA-N 0 3 180.226 2.021 10 0 AEAEHN CCC[C@@H](N)c1ccc(F)cn1 78677771 573578080 /nfs/dbraw/zinc/57/80/80/573578080.db2.gz LHBZZILPQRHQKM-MRVPVSSYSA-N 0 3 168.215 2.021 10 0 AEAEHN Cc1cc(C2([NH3+])CC2)cc(Cl)c1[O-] 214918613 573578365 /nfs/dbraw/zinc/57/83/65/573578365.db2.gz NHXHEHIBJHEQGH-UHFFFAOYSA-N 0 3 197.665 2.302 10 0 AEAEHN CC1(C)CN(Cc2cccc(N)c2)C1 86688242 573578367 /nfs/dbraw/zinc/57/83/67/573578367.db2.gz SCDYXJMYBKZCNZ-UHFFFAOYSA-N 0 3 190.290 2.111 10 0 AEAEHN Cc1cccc([C@@H](N)CC2CC2)n1 78677817 573579861 /nfs/dbraw/zinc/57/98/61/573579861.db2.gz HTTXLHIUPCLPQT-JTQLQIEISA-N 0 3 176.263 2.190 10 0 AEAEHN Cc1cc(O)cc(C2(N)CC2)c1Cl 214918957 573578475 /nfs/dbraw/zinc/57/84/75/573578475.db2.gz WUYUBZQVVBVIJY-UHFFFAOYSA-N 0 3 197.665 2.302 10 0 AEAEHN CCC[C@H](N)c1ccc(F)cn1 78677767 573578648 /nfs/dbraw/zinc/57/86/48/573578648.db2.gz LHBZZILPQRHQKM-QMMMGPOBSA-N 0 3 168.215 2.021 10 0 AEAEHN CCC1CN(Cc2cccc(N)c2)C1 86688238 573578706 /nfs/dbraw/zinc/57/87/06/573578706.db2.gz ANOAVCRTSKJKMO-UHFFFAOYSA-N 0 3 190.290 2.111 10 0 AEAEHN Cc1cccnc1[C@@H](N)CC1CC1 78677828 573578825 /nfs/dbraw/zinc/57/88/25/573578825.db2.gz HPYDTSGECDUXNV-JTQLQIEISA-N 0 3 176.263 2.190 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cc(C)cc(F)c1 86693732 573578893 /nfs/dbraw/zinc/57/88/93/573578893.db2.gz MUHRWEXULQENMS-KWQFWETISA-N 0 3 197.253 2.169 10 0 AEAEHN Cc1ncc2cc(Cl)ccn12 258503328 573578973 /nfs/dbraw/zinc/57/89/73/573578973.db2.gz ZEQWKAQWFCBNBF-UHFFFAOYSA-N 0 3 166.611 2.296 10 0 AEAEHN CCO[C@H]1C[C@@H]1NCc1ccsc1 308401246 573579426 /nfs/dbraw/zinc/57/94/26/573579426.db2.gz HDZABCVJUSBUHD-UWVGGRQHSA-N 0 3 197.303 2.015 10 0 AEAEHN CCO[C@H]1C[C@H]1NCc1ccsc1 308401248 573579931 /nfs/dbraw/zinc/57/99/31/573579931.db2.gz HDZABCVJUSBUHD-ZJUUUORDSA-N 0 3 197.303 2.015 10 0 AEAEHN CC1CN([C@@H](C)c2ccc(N)cc2)C1 86687815 573579932 /nfs/dbraw/zinc/57/99/32/573579932.db2.gz ILNPZRUBWFDZPN-JTQLQIEISA-N 0 3 190.290 2.282 10 0 AEAEHN C[C@@H](c1ccccc1N)N1CC[C@H]1C 86687949 573579961 /nfs/dbraw/zinc/57/99/61/573579961.db2.gz VHCJVSIYQMGOLC-ZJUUUORDSA-N 0 3 190.290 2.424 10 0 AEAEHN C[C@H]1CCN1[C@@H](C)c1ccccc1N 86687951 573579983 /nfs/dbraw/zinc/57/99/83/573579983.db2.gz VHCJVSIYQMGOLC-UWVGGRQHSA-N 0 3 190.290 2.424 10 0 AEAEHN COc1occc1[C@H]1CCCCN1 238441269 573580023 /nfs/dbraw/zinc/58/00/23/573580023.db2.gz LZXNGFIWTLKANX-SECBINFHSA-N 0 3 181.235 2.103 10 0 AEAEHN CCC1CN(Cc2ccccc2N)C1 86688177 573580173 /nfs/dbraw/zinc/58/01/73/573580173.db2.gz GWUXXVYJRFMTOM-UHFFFAOYSA-N 0 3 190.290 2.111 10 0 AEAEHN CC(C)(CNCN)C1CCCCC1 258791186 573580179 /nfs/dbraw/zinc/58/01/79/573580179.db2.gz CMMQBSAQXAVVPW-UHFFFAOYSA-N 0 3 184.327 2.099 10 0 AEAEHN Cc1ccc(C2([NH3+])CC2)c(Cl)c1[O-] 214917747 573580253 /nfs/dbraw/zinc/58/02/53/573580253.db2.gz PSPDRUGCHFOMCK-UHFFFAOYSA-N 0 3 197.665 2.302 10 0 AEAEHN CC1CN([C@H](C)c2ccccc2N)C1 86687912 573580472 /nfs/dbraw/zinc/58/04/72/573580472.db2.gz VJBAARVHSNTKQI-SNVBAGLBSA-N 0 3 190.290 2.282 10 0 AEAEHN CC1(C)COc2ccccc2[C@@H]1N 107408851 573580732 /nfs/dbraw/zinc/58/07/32/573580732.db2.gz MWSQQDIZPIJJJO-JTQLQIEISA-N 0 3 177.247 2.105 10 0 AEAEHN Cc1oc2cc(F)ccc2c1CN 107410019 573580868 /nfs/dbraw/zinc/58/08/68/573580868.db2.gz WWEKJDROARATSI-UHFFFAOYSA-N 0 3 179.194 2.339 10 0 AEAEHN COc1occc1[C@@H]1CCCCN1 238441096 573581320 /nfs/dbraw/zinc/58/13/20/573581320.db2.gz LZXNGFIWTLKANX-VIFPVBQESA-N 0 3 181.235 2.103 10 0 AEAEHN Cc1oc2ccc(F)cc2c1CN 107410017 573581711 /nfs/dbraw/zinc/58/17/11/573581711.db2.gz QAAOASZEPHQCLJ-UHFFFAOYSA-N 0 3 179.194 2.339 10 0 AEAEHN C[C@H](N)c1ccc(F)c2c1OCCC2 238440903 573581725 /nfs/dbraw/zinc/58/17/25/573581725.db2.gz GQZQYXOFYFUMMB-ZETCQYMHSA-N 0 3 195.237 2.170 10 0 AEAEHN CC(C)C[C@H](N)c1ccc(F)cn1 86705318 573581868 /nfs/dbraw/zinc/58/18/68/573581868.db2.gz KOFIMRSZOSZLAN-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN CN[C@@H]1c2ccccc2OC1(C)C 107408823 573583483 /nfs/dbraw/zinc/58/34/83/573583483.db2.gz KKPNMVIRBQBIAS-SNVBAGLBSA-N 0 3 177.247 2.118 10 0 AEAEHN CN[C@H](c1ccc(F)cn1)C(C)C 86706791 573582731 /nfs/dbraw/zinc/58/27/31/573582731.db2.gz UZWTTWIVNRMQSE-JTQLQIEISA-N 0 3 182.242 2.137 10 0 AEAEHN C[C@@H]1CNc2ccc(Cl)cc2CN1 144451245 573582765 /nfs/dbraw/zinc/58/27/65/573582765.db2.gz MWFJEZUKLLYLQP-SSDOTTSWSA-N 0 3 196.681 2.244 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1ccc(F)cn1 86707600 573582783 /nfs/dbraw/zinc/58/27/83/573582783.db2.gz RLUCMZBYAZULPF-LDYMZIIASA-N 0 3 194.253 2.195 10 0 AEAEHN N[C@H](CC1CCC1)c1ccc(F)cn1 86705284 573582823 /nfs/dbraw/zinc/58/28/23/573582823.db2.gz SIFGKUKRTKIWIQ-SNVBAGLBSA-N 0 3 194.253 2.411 10 0 AEAEHN CN[C@@H](c1ccc(F)cn1)C(C)C 86706794 573583534 /nfs/dbraw/zinc/58/35/34/573583534.db2.gz UZWTTWIVNRMQSE-SNVBAGLBSA-N 0 3 182.242 2.137 10 0 AEAEHN CC(C)N[C@@H](C)c1ccc(F)cn1 86706263 573582953 /nfs/dbraw/zinc/58/29/53/573582953.db2.gz YGYOPTHCFIZBHY-QMMMGPOBSA-N 0 3 182.242 2.280 10 0 AEAEHN CC(C)N[C@H](C)c1ccc(F)cn1 86706265 573582995 /nfs/dbraw/zinc/58/29/95/573582995.db2.gz YGYOPTHCFIZBHY-MRVPVSSYSA-N 0 3 182.242 2.280 10 0 AEAEHN c1cc2c(o1)[C@@H](NC1CC1)CCC2 107408984 573583093 /nfs/dbraw/zinc/58/30/93/573583093.db2.gz UKJDVHVJJPDRJS-JTQLQIEISA-N 0 3 177.247 2.409 10 0 AEAEHN C[C@@H]1Cc2cocc2[C@@H]1NC1CC1 107408958 573583340 /nfs/dbraw/zinc/58/33/40/573583340.db2.gz RCXGVPZLFLNYLX-RDDDGLTNSA-N 0 3 177.247 2.265 10 0 AEAEHN COC1CC(N(C)CC=C(C)C)C1 308402834 573583397 /nfs/dbraw/zinc/58/33/97/573583397.db2.gz HYTMVYCAPCVGED-UHFFFAOYSA-N 0 3 183.295 2.062 10 0 AEAEHN COc1ccc(S[C@H](C)N)cc1 259114745 573584512 /nfs/dbraw/zinc/58/45/12/573584512.db2.gz BEYBBXBCUDNNFV-SSDOTTSWSA-N 0 3 183.276 2.092 10 0 AEAEHN CN[C@H]1c2ccccc2OC1(C)C 107408826 573584562 /nfs/dbraw/zinc/58/45/62/573584562.db2.gz KKPNMVIRBQBIAS-JTQLQIEISA-N 0 3 177.247 2.118 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1ccc(F)cn1 86707604 573584570 /nfs/dbraw/zinc/58/45/70/573584570.db2.gz RLUCMZBYAZULPF-KCJUWKMLSA-N 0 3 194.253 2.195 10 0 AEAEHN COc1c([C@H](C)N)[nH]c2ccccc12 238442074 573584584 /nfs/dbraw/zinc/58/45/84/573584584.db2.gz QHVGDHZQTLDTCG-ZETCQYMHSA-N 0 3 190.246 2.196 10 0 AEAEHN N[C@@H](CC1CCC1)c1ccc(F)cn1 86705287 573584719 /nfs/dbraw/zinc/58/47/19/573584719.db2.gz SIFGKUKRTKIWIQ-JTQLQIEISA-N 0 3 194.253 2.411 10 0 AEAEHN CC[C@H](C)NCc1cccnc1F 308403450 573584720 /nfs/dbraw/zinc/58/47/20/573584720.db2.gz IHOQXHDMBYZJIE-QMMMGPOBSA-N 0 3 182.242 2.109 10 0 AEAEHN CC1(C)COc2ccccc2[C@H]1N 107408855 573584725 /nfs/dbraw/zinc/58/47/25/573584725.db2.gz MWSQQDIZPIJJJO-SNVBAGLBSA-N 0 3 177.247 2.105 10 0 AEAEHN CC[C@@H](C)NCc1cc(N)ccc1F 308638806 573584796 /nfs/dbraw/zinc/58/47/96/573584796.db2.gz CBYSYRFOSWLBEQ-MRVPVSSYSA-N 0 3 196.269 2.296 10 0 AEAEHN CNC[C@H](F)c1ccc(OC)cc1C 257833195 573584798 /nfs/dbraw/zinc/58/47/98/573584798.db2.gz KXVDQQWBMQIIDV-NSHDSACASA-N 0 3 197.253 2.234 10 0 AEAEHN CC[C@H](C)[C@H](N)c1ccc(F)cn1 86705620 573584817 /nfs/dbraw/zinc/58/48/17/573584817.db2.gz NZWPTJOGIHGJEK-XVKPBYJWSA-N 0 3 182.242 2.267 10 0 AEAEHN CNC[C@@H](F)c1ccc(OC)cc1C 257833192 573584847 /nfs/dbraw/zinc/58/48/47/573584847.db2.gz KXVDQQWBMQIIDV-LLVKDONJSA-N 0 3 197.253 2.234 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccc(F)cn1 86705471 573584858 /nfs/dbraw/zinc/58/48/58/573584858.db2.gz WPRXXGZKFVDYPB-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN N[C@H](c1ccc(F)cn1)C1CCCC1 86705503 573584962 /nfs/dbraw/zinc/58/49/62/573584962.db2.gz KFCOKDNOTCQFRT-NSHDSACASA-N 0 3 194.253 2.411 10 0 AEAEHN CC[C@@H](C)NCc1cccnc1F 308403449 573585011 /nfs/dbraw/zinc/58/50/11/573585011.db2.gz IHOQXHDMBYZJIE-MRVPVSSYSA-N 0 3 182.242 2.109 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ccc(F)cn1 86705617 573587085 /nfs/dbraw/zinc/58/70/85/573587085.db2.gz NZWPTJOGIHGJEK-XCBNKYQSSA-N 0 3 182.242 2.267 10 0 AEAEHN COc1c([C@@H](C)N)[nH]c2ccccc12 238441977 573586586 /nfs/dbraw/zinc/58/65/86/573586586.db2.gz QHVGDHZQTLDTCG-SSDOTTSWSA-N 0 3 190.246 2.196 10 0 AEAEHN CC(C)C[C@@H](N)c1ccc(F)cn1 86705321 573586688 /nfs/dbraw/zinc/58/66/88/573586688.db2.gz KOFIMRSZOSZLAN-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN Cc1nc([C@H](C)N)[nH]c1C1CCCC1 258806258 573586761 /nfs/dbraw/zinc/58/67/61/573586761.db2.gz XLJHRCJTTNXTJE-ZETCQYMHSA-N 0 3 193.294 2.395 10 0 AEAEHN COc1sccc1[C@H](N)C(C)C 238442027 573586762 /nfs/dbraw/zinc/58/67/62/573586762.db2.gz QRBJSCZBVXEXPR-MRVPVSSYSA-N 0 3 185.292 2.413 10 0 AEAEHN Cc1[nH]c([C@H](C)N)nc1C1CCCC1 258806258 573586766 /nfs/dbraw/zinc/58/67/66/573586766.db2.gz XLJHRCJTTNXTJE-ZETCQYMHSA-N 0 3 193.294 2.395 10 0 AEAEHN COc1ccc([C@@H](F)[C@H]2CCN2)cc1 257833672 573586771 /nfs/dbraw/zinc/58/67/71/573586771.db2.gz KBQGARCOAOJZER-GHMZBOCLSA-N 0 3 195.237 2.068 10 0 AEAEHN Cc1nc([C@@H](C)N)[nH]c1C1CCCC1 258806255 573588174 /nfs/dbraw/zinc/58/81/74/573588174.db2.gz XLJHRCJTTNXTJE-SSDOTTSWSA-N 0 3 193.294 2.395 10 0 AEAEHN Cc1[nH]c([C@@H](C)N)nc1C1CCCC1 258806255 573588180 /nfs/dbraw/zinc/58/81/80/573588180.db2.gz XLJHRCJTTNXTJE-SSDOTTSWSA-N 0 3 193.294 2.395 10 0 AEAEHN FC(F)CCCNCc1ccoc1 688725618 573588404 /nfs/dbraw/zinc/58/84/04/573588404.db2.gz HAGOIDOHRWYCKO-UHFFFAOYSA-N 0 3 189.205 2.415 10 0 AEAEHN c1cc2c(c(C3CC3)c1)CNC2 144440500 573588442 /nfs/dbraw/zinc/58/84/42/573588442.db2.gz MKOIHKGHNCBZCP-UHFFFAOYSA-N 0 3 159.232 2.167 10 0 AEAEHN Cc1ccc2c(c1)CCC[C@]2(F)CN 257833684 573588489 /nfs/dbraw/zinc/58/84/89/573588489.db2.gz KBZGDNMIYQEOCJ-LBPRGKRZSA-N 0 3 193.265 2.455 10 0 AEAEHN CCCCC/C=C/C1=NC1C(=O)OC 215282963 573588565 /nfs/dbraw/zinc/58/85/65/573588565.db2.gz RWDQVIKEEWJCCM-QROSGCPLSA-N 0 3 195.262 2.119 10 0 AEAEHN CCCCC/C=C/C1=NC1C(=O)OC 215282915 573589910 /nfs/dbraw/zinc/58/99/10/573589910.db2.gz RWDQVIKEEWJCCM-JARNTUPDSA-N 0 3 195.262 2.119 10 0 AEAEHN C[C@H]1Sc2cc(F)ccc2[C@H]1N 107415657 573589452 /nfs/dbraw/zinc/58/94/52/573589452.db2.gz AYIYUPFIEZFXGM-ANLVUFKYSA-N 0 3 183.251 2.320 10 0 AEAEHN C[C@H]1Cc2c(F)ccc(F)c2[C@@H]1N 86718363 573589458 /nfs/dbraw/zinc/58/94/58/573589458.db2.gz FALNIXYGKVKFCC-XUOSJQGZSA-N 0 3 183.201 2.157 10 0 AEAEHN C[C@H]1Cc2c(F)ccc(F)c2[C@H]1N 86718366 573589512 /nfs/dbraw/zinc/58/95/12/573589512.db2.gz FALNIXYGKVKFCC-RRAGMBSWSA-N 0 3 183.201 2.157 10 0 AEAEHN Cc1ccc2c(c1)CCC[C@@]2(F)CN 257833682 573589671 /nfs/dbraw/zinc/58/96/71/573589671.db2.gz KBZGDNMIYQEOCJ-GFCCVEGCSA-N 0 3 193.265 2.455 10 0 AEAEHN Cc1ccc2[nH]c(C3(N)CC3)cc2c1 82392110 573589749 /nfs/dbraw/zinc/58/97/49/573589749.db2.gz BHDBXWIWWCMFSS-UHFFFAOYSA-N 0 3 186.258 2.424 10 0 AEAEHN CC1(C)CN(C2CCCC2)CCC1=O 259117325 573589856 /nfs/dbraw/zinc/58/98/56/573589856.db2.gz BTIRINJIHGWTHM-UHFFFAOYSA-N 0 3 195.306 2.230 10 0 AEAEHN CN[C@@H]1c2c(F)ccc(F)c2C[C@H]1C 86718931 573590080 /nfs/dbraw/zinc/59/00/80/573590080.db2.gz DNGFGJHUMBPWGY-KBUNVGBDSA-N 0 3 197.228 2.418 10 0 AEAEHN CN[C@@H]1c2ccccc2OCC12CC2 107419609 573590229 /nfs/dbraw/zinc/59/02/29/573590229.db2.gz OBVZZZUQTUVYOG-LLVKDONJSA-N 0 3 189.258 2.120 10 0 AEAEHN CCC(=O)CN1CCCC(C)(C)CC1 83680749 573591333 /nfs/dbraw/zinc/59/13/33/573591333.db2.gz OXLSJFWKRWCVPO-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN C[C@@H]1Cc2c(F)ccc(F)c2[C@H]1N 86718364 573591046 /nfs/dbraw/zinc/59/10/46/573591046.db2.gz FALNIXYGKVKFCC-FWOIEVBISA-N 0 3 183.201 2.157 10 0 AEAEHN CC1(C)CN[C@](C)(c2cccs2)O1 258788897 573591995 /nfs/dbraw/zinc/59/19/95/573591995.db2.gz XOWHYSNPQUYBCM-JTQLQIEISA-N 0 3 197.303 2.319 10 0 AEAEHN CCC[C@@H](NCc1ccon1)C1CC1 126641796 573591871 /nfs/dbraw/zinc/59/18/71/573591871.db2.gz PWNPHSXXUSQZAL-LLVKDONJSA-N 0 3 194.278 2.343 10 0 AEAEHN CNC[C@@H](F)c1ccc(F)c(F)c1 257835564 573594873 /nfs/dbraw/zinc/59/48/73/573594873.db2.gz LTCDEMINRJUSLF-SECBINFHSA-N 0 3 189.180 2.195 10 0 AEAEHN CC1(C)CN[C@@](C)(c2cccs2)O1 258788904 573594905 /nfs/dbraw/zinc/59/49/05/573594905.db2.gz XOWHYSNPQUYBCM-SNVBAGLBSA-N 0 3 197.303 2.319 10 0 AEAEHN COCNCc1cc(C)c(C)cc1C 259135613 573595089 /nfs/dbraw/zinc/59/50/89/573595089.db2.gz RCTNQAYAHBOVIX-UHFFFAOYSA-N 0 3 193.290 2.305 10 0 AEAEHN NCc1c(F)ccc2ccoc12 258064282 573595300 /nfs/dbraw/zinc/59/53/00/573595300.db2.gz SXVIPGHCWRTBBX-UHFFFAOYSA-N 0 3 165.167 2.031 10 0 AEAEHN CNC(C)(C)c1nc(C(C)(C)C)c[nH]1 259136997 573595463 /nfs/dbraw/zinc/59/54/63/573595463.db2.gz RMMVRMFLGHYYBV-UHFFFAOYSA-N 0 3 195.310 2.162 10 0 AEAEHN N[C@H](c1ccccc1F)[C@@H]1CCCO1 83712112 573595686 /nfs/dbraw/zinc/59/56/86/573595686.db2.gz VJSBMWVKSBJTFE-WDEREUQCSA-N 0 3 195.237 2.005 10 0 AEAEHN CCC(CC)CNc1nccn1C 130476378 573595920 /nfs/dbraw/zinc/59/59/20/573595920.db2.gz LJADOMXFQIJTFM-UHFFFAOYSA-N 0 3 181.283 2.268 10 0 AEAEHN N[C@H](c1cccc(F)c1)[C@H]1CCCO1 83712095 573595972 /nfs/dbraw/zinc/59/59/72/573595972.db2.gz JONHNRDFXVKRTO-GHMZBOCLSA-N 0 3 195.237 2.005 10 0 AEAEHN CCNCc1cc(C)c(F)cc1F 86726847 573596031 /nfs/dbraw/zinc/59/60/31/573596031.db2.gz IZCPFQJRMWXDLW-UHFFFAOYSA-N 0 3 185.217 2.383 10 0 AEAEHN CNC[C@H](F)c1ccc(F)c(F)c1 257835565 573596236 /nfs/dbraw/zinc/59/62/36/573596236.db2.gz LTCDEMINRJUSLF-VIFPVBQESA-N 0 3 189.180 2.195 10 0 AEAEHN CCC(=O)CN1CCC[C@@H]2CCC[C@@H]21 83701692 573596269 /nfs/dbraw/zinc/59/62/69/573596269.db2.gz SGOYHMNNTWSSHJ-JQWIXIFHSA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1cc(N)nc(C)c1C1CC1 238455686 573596345 /nfs/dbraw/zinc/59/63/45/573596345.db2.gz VDFWZGNKMKSAIH-UHFFFAOYSA-N 0 3 162.236 2.158 10 0 AEAEHN NCc1ccc2[nH]ccc2c1Cl 82396233 573596440 /nfs/dbraw/zinc/59/64/40/573596440.db2.gz TUSYVPKSPWLENH-UHFFFAOYSA-N 0 3 180.638 2.280 10 0 AEAEHN Cc1ccccc1[C@@H](N)[C@@H]1CCCO1 83712180 573596827 /nfs/dbraw/zinc/59/68/27/573596827.db2.gz NMTCTBZXDRUXAQ-NWDGAFQWSA-N 0 3 191.274 2.174 10 0 AEAEHN CC(C)(C)CNCc1cccnc1F 308646828 573596662 /nfs/dbraw/zinc/59/66/62/573596662.db2.gz ICPYFPVMBGDSFQ-UHFFFAOYSA-N 0 3 196.269 2.356 10 0 AEAEHN C[C@H](NCC1CC1)c1ccncc1F 308646822 573596703 /nfs/dbraw/zinc/59/67/03/573596703.db2.gz ICLORMLSIXCCJQ-QMMMGPOBSA-N 0 3 194.253 2.281 10 0 AEAEHN N[C@@H](c1cccc(F)c1)[C@@H]1CCCO1 83712089 573596709 /nfs/dbraw/zinc/59/67/09/573596709.db2.gz JONHNRDFXVKRTO-QWRGUYRKSA-N 0 3 195.237 2.005 10 0 AEAEHN C[C@@H](NCC1CC1)c1ccncc1F 308646821 573597797 /nfs/dbraw/zinc/59/77/97/573597797.db2.gz ICLORMLSIXCCJQ-MRVPVSSYSA-N 0 3 194.253 2.281 10 0 AEAEHN N[C@H](c1ccccc1F)[C@H]1CCCO1 83712115 573597618 /nfs/dbraw/zinc/59/76/18/573597618.db2.gz VJSBMWVKSBJTFE-GHMZBOCLSA-N 0 3 195.237 2.005 10 0 AEAEHN CC[C@H](C)c1ccc(CNCN)cc1 258816790 573599078 /nfs/dbraw/zinc/59/90/78/573599078.db2.gz FTAWLERQFSLMKQ-JTQLQIEISA-N 0 3 192.306 2.206 10 0 AEAEHN CC(=O)[C@H](C)N1CCC[C@H]2CCC[C@@H]21 83701716 573598814 /nfs/dbraw/zinc/59/88/14/573598814.db2.gz JMEFGXKREWLGRQ-WCQGTBRESA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H](N)[C@@H](F)Cc1cccc(F)c1 257836206 573598844 /nfs/dbraw/zinc/59/88/44/573598844.db2.gz KZKPKMGHFVEVBB-XCBNKYQSSA-N 0 3 185.217 2.054 10 0 AEAEHN C[C@H](F)COc1ccc2c(c1)CNC2 258070804 573598948 /nfs/dbraw/zinc/59/89/48/573598948.db2.gz QHQAEQQSHINJSW-QMMMGPOBSA-N 0 3 195.237 2.027 10 0 AEAEHN CN[C@@H](C)c1onc2cc(F)ccc12 257835950 573600437 /nfs/dbraw/zinc/60/04/37/573600437.db2.gz KRCHQROHZMAXGC-LURJTMIESA-N 0 3 194.209 2.247 10 0 AEAEHN Cc1cc([C@H](N)[C@H]2CCCO2)cs1 83712742 573599813 /nfs/dbraw/zinc/59/98/13/573599813.db2.gz XIGYPURAPIGWKI-ZJUUUORDSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1ccccc1[C@H](N)[C@@H]1CCCO1 83712178 573599826 /nfs/dbraw/zinc/59/98/26/573599826.db2.gz NMTCTBZXDRUXAQ-RYUDHWBXSA-N 0 3 191.274 2.174 10 0 AEAEHN CCC(=O)CN1CCC[C@H]2CCC[C@@H]21 83701688 573599874 /nfs/dbraw/zinc/59/98/74/573599874.db2.gz SGOYHMNNTWSSHJ-PWSUYJOCSA-N 0 3 195.306 2.230 10 0 AEAEHN N[C@H](c1cccc(F)c1)[C@@H]1CCCO1 83712090 573599954 /nfs/dbraw/zinc/59/99/54/573599954.db2.gz JONHNRDFXVKRTO-WDEREUQCSA-N 0 3 195.237 2.005 10 0 AEAEHN CNC[C@](C)(F)c1ccc(O)cc1C 257836191 573599978 /nfs/dbraw/zinc/59/99/78/573599978.db2.gz LZXWYWZFIPQIFJ-NSHDSACASA-N 0 3 197.253 2.105 10 0 AEAEHN NC1([C@@H](F)Cc2ccc(F)cc2)CC1 257835986 573600049 /nfs/dbraw/zinc/60/00/49/573600049.db2.gz KRSXHPXJTZERRG-JTQLQIEISA-N 0 3 197.228 2.198 10 0 AEAEHN Cc1cccc([C@@H](N)[C@@H]2CCCO2)c1 83711985 573600193 /nfs/dbraw/zinc/60/01/93/573600193.db2.gz SOHBOEHGBMYHKP-NWDGAFQWSA-N 0 3 191.274 2.174 10 0 AEAEHN COc1ccc2c(c1)S[C@@H](C)[C@H]2N 107430731 573600218 /nfs/dbraw/zinc/60/02/18/573600218.db2.gz VDDRAAFRFAFPNB-QUBYGPBYSA-N 0 3 195.287 2.189 10 0 AEAEHN Cc1ccc2cc([C@@H](N)O)ccc2c1 259524437 573600236 /nfs/dbraw/zinc/60/02/36/573600236.db2.gz SJDKHNWVOIOWBL-LBPRGKRZSA-N 0 3 187.242 2.098 10 0 AEAEHN CC(C)N1CC=C(CC(C)(C)O)CC1 258070612 573600267 /nfs/dbraw/zinc/60/02/67/573600267.db2.gz MHANJPTVFODQDH-UHFFFAOYSA-N 0 3 197.322 2.188 10 0 AEAEHN CC[C@@H](C)c1ccc(CNCN)cc1 258816793 573600350 /nfs/dbraw/zinc/60/03/50/573600350.db2.gz FTAWLERQFSLMKQ-SNVBAGLBSA-N 0 3 192.306 2.206 10 0 AEAEHN N[C@@H](c1ccccc1F)[C@H]1CCCO1 83712114 573600423 /nfs/dbraw/zinc/60/04/23/573600423.db2.gz VJSBMWVKSBJTFE-MNOVXSKESA-N 0 3 195.237 2.005 10 0 AEAEHN COc1ccc2c(c1)S[C@H](C)[C@@H]2N 107430721 573600824 /nfs/dbraw/zinc/60/08/24/573600824.db2.gz VDDRAAFRFAFPNB-LDWIPMOCSA-N 0 3 195.287 2.189 10 0 AEAEHN C[C@H](N)[C@@H](F)Cc1cccc(F)c1 257836208 573600934 /nfs/dbraw/zinc/60/09/34/573600934.db2.gz KZKPKMGHFVEVBB-XVKPBYJWSA-N 0 3 185.217 2.054 10 0 AEAEHN COc1ccc2c(c1)S[C@@H](C)[C@@H]2N 107430725 573601175 /nfs/dbraw/zinc/60/11/75/573601175.db2.gz VDDRAAFRFAFPNB-WKEGUHRASA-N 0 3 195.287 2.189 10 0 AEAEHN C[C@@H](F)COc1ccc2c(c1)CNC2 258070800 573601282 /nfs/dbraw/zinc/60/12/82/573601282.db2.gz QHQAEQQSHINJSW-MRVPVSSYSA-N 0 3 195.237 2.027 10 0 AEAEHN CNCc1nc(C)c(CC(C)C)s1 258813854 573601478 /nfs/dbraw/zinc/60/14/78/573601478.db2.gz OEAXVCIRXJOXDD-UHFFFAOYSA-N 0 3 198.335 2.369 10 0 AEAEHN CN[C@@H](c1ccsc1)[C@@H]1CCCO1 83713255 573606232 /nfs/dbraw/zinc/60/62/32/573606232.db2.gz LUYCEFANEDGHBF-UWVGGRQHSA-N 0 3 197.303 2.188 10 0 AEAEHN COc1c(Cl)ccc2c1[C@@H](N)CC2 238447052 573602717 /nfs/dbraw/zinc/60/27/17/573602717.db2.gz RLERSCRGNFJJRL-QMMMGPOBSA-N 0 3 197.665 2.295 10 0 AEAEHN CCCC(F)(F)C(C)(C)N 259124953 573602884 /nfs/dbraw/zinc/60/28/84/573602884.db2.gz LJYCXBGQGOJPJP-UHFFFAOYSA-N 0 3 151.200 2.159 10 0 AEAEHN C[C@@H](N)c1cnc([C@@H]2CCCO2)s1 83714358 573603083 /nfs/dbraw/zinc/60/30/83/573603083.db2.gz LUEYZDPUXNVGTR-RQJHMYQMSA-N 0 3 198.291 2.014 10 0 AEAEHN Cc1cccc(S[C@H](C)N)c1 259140709 573603174 /nfs/dbraw/zinc/60/31/74/573603174.db2.gz DSCHSUONTIWRBQ-MRVPVSSYSA-N 0 3 167.277 2.392 10 0 AEAEHN CCn1c(CN)cc2ccc(C)cc21 257836484 573603327 /nfs/dbraw/zinc/60/33/27/573603327.db2.gz ASVSVPXWDNKYAB-UHFFFAOYSA-N 0 3 188.274 2.428 10 0 AEAEHN CCn1nc(CN)cc1C1CCCC1 257836609 573603911 /nfs/dbraw/zinc/60/39/11/573603911.db2.gz KWRQOYRBKCGJJV-UHFFFAOYSA-N 0 3 193.294 2.019 10 0 AEAEHN C[C@@H]1CN[C@@H]1c1cc(F)ccc1F 259140302 573606270 /nfs/dbraw/zinc/60/62/70/573606270.db2.gz JUQMARSLOQGKAB-LDWIPMOCSA-N 0 3 183.201 2.245 10 0 AEAEHN C[C@@H]1NC[C@H](C)c2ccoc21 75539189 573604065 /nfs/dbraw/zinc/60/40/65/573604065.db2.gz INJKQJNPYFVYMV-BQBZGAKWSA-N 0 3 151.209 2.047 10 0 AEAEHN C[C@@H]1CN[C@H](C)c2occc21 75539179 573604129 /nfs/dbraw/zinc/60/41/29/573604129.db2.gz INJKQJNPYFVYMV-RNFRBKRXSA-N 0 3 151.209 2.047 10 0 AEAEHN CN[C@@H](c1ccsc1)[C@H]1CCCO1 83713259 573604200 /nfs/dbraw/zinc/60/42/00/573604200.db2.gz LUYCEFANEDGHBF-ZJUUUORDSA-N 0 3 197.303 2.188 10 0 AEAEHN C[C@H]1CN[C@H](C)c2occc21 75539182 573604364 /nfs/dbraw/zinc/60/43/64/573604364.db2.gz INJKQJNPYFVYMV-NKWVEPMBSA-N 0 3 151.209 2.047 10 0 AEAEHN CN[C@H](c1ccsc1)[C@H]1CCCO1 83713260 573604663 /nfs/dbraw/zinc/60/46/63/573604663.db2.gz LUYCEFANEDGHBF-NXEZZACHSA-N 0 3 197.303 2.188 10 0 AEAEHN C[C@H](N)c1cnc([C@@H]2CCCO2)s1 83714356 573604727 /nfs/dbraw/zinc/60/47/27/573604727.db2.gz LUEYZDPUXNVGTR-BQBZGAKWSA-N 0 3 198.291 2.014 10 0 AEAEHN Cc1ccsc1-c1nc(N)[nH]c1C 259125018 573604754 /nfs/dbraw/zinc/60/47/54/573604754.db2.gz LKOAJEAFFHHOFY-UHFFFAOYSA-N 0 3 193.275 2.337 10 0 AEAEHN C[C@@H]1CN[C@H]1c1cc(F)ccc1F 259140305 573604827 /nfs/dbraw/zinc/60/48/27/573604827.db2.gz JUQMARSLOQGKAB-LHLIQPBNSA-N 0 3 183.201 2.245 10 0 AEAEHN C[C@H]1CN[C@@H]1c1cc(F)ccc1F 259140312 573604908 /nfs/dbraw/zinc/60/49/08/573604908.db2.gz JUQMARSLOQGKAB-WKEGUHRASA-N 0 3 183.201 2.245 10 0 AEAEHN C[C@@H](N)c1cnc([C@H]2CCCO2)s1 83714361 573605187 /nfs/dbraw/zinc/60/51/87/573605187.db2.gz LUEYZDPUXNVGTR-RNFRBKRXSA-N 0 3 198.291 2.014 10 0 AEAEHN C[C@H](N)c1cnc([C@H]2CCCO2)s1 83714360 573605445 /nfs/dbraw/zinc/60/54/45/573605445.db2.gz LUEYZDPUXNVGTR-NKWVEPMBSA-N 0 3 198.291 2.014 10 0 AEAEHN COc1c(Cl)ccc2c1[C@H](N)CC2 238447038 573605656 /nfs/dbraw/zinc/60/56/56/573605656.db2.gz RLERSCRGNFJJRL-MRVPVSSYSA-N 0 3 197.665 2.295 10 0 AEAEHN C[C@@H]1CN[C@@H](C)c2occc21 75539185 573605839 /nfs/dbraw/zinc/60/58/39/573605839.db2.gz INJKQJNPYFVYMV-RQJHMYQMSA-N 0 3 151.209 2.047 10 0 AEAEHN CC(C)[C@H](NCCF)c1ccncc1 308647942 573605969 /nfs/dbraw/zinc/60/59/69/573605969.db2.gz ISOCPIPYEPGBOM-NSHDSACASA-N 0 3 196.269 2.338 10 0 AEAEHN CCCS[C@H]1CCCCN1 259130453 573607678 /nfs/dbraw/zinc/60/76/78/573607678.db2.gz CSYZINKSMWXOME-QMMMGPOBSA-N 0 3 159.298 2.229 10 0 AEAEHN COc1c(F)ccc2c1[C@@H](N)CCC2 238448194 573607809 /nfs/dbraw/zinc/60/78/09/573607809.db2.gz SJWYDZXHHUJRTK-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN CNC[C@](C)(F)c1cccs1 257837191 573607882 /nfs/dbraw/zinc/60/78/82/573607882.db2.gz MMNWIMHPKJQHCO-QMMMGPOBSA-N 0 3 173.256 2.152 10 0 AEAEHN CCC[C@H](CC)Nc1nccn1C 50606688 573608274 /nfs/dbraw/zinc/60/82/74/573608274.db2.gz VNOCRAYXSRLXOK-VIFPVBQESA-N 0 3 181.283 2.411 10 0 AEAEHN C[C@H](N)c1c(C2CCCC2)cnn1C 257837171 573608326 /nfs/dbraw/zinc/60/83/26/573608326.db2.gz MKTXNRWBCVDAHZ-QMMMGPOBSA-N 0 3 193.294 2.097 10 0 AEAEHN CNC[C@@](C)(F)c1cccs1 257837190 573608428 /nfs/dbraw/zinc/60/84/28/573608428.db2.gz MMNWIMHPKJQHCO-MRVPVSSYSA-N 0 3 173.256 2.152 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H]2CCO[C@@H]2C)o1 86757252 573608489 /nfs/dbraw/zinc/60/84/89/573608489.db2.gz UPDGWBNEQVSSPV-FXPVBKGRSA-N 0 3 195.262 2.013 10 0 AEAEHN CC1=CCc2ccccc2[C@H]1N 75544106 573608499 /nfs/dbraw/zinc/60/84/99/573608499.db2.gz NWZUOESVMDLZFV-NSHDSACASA-N 0 3 159.232 2.189 10 0 AEAEHN CC(C)c1ccc(C(C)(C)N)nc1 259126150 573609237 /nfs/dbraw/zinc/60/92/37/573609237.db2.gz FXCYNUDWDHUGQN-UHFFFAOYSA-N 0 3 178.279 2.399 10 0 AEAEHN C[C@@H]1C=C[C@@H](N)c2ccccc21 75544112 573609328 /nfs/dbraw/zinc/60/93/28/573609328.db2.gz OYQBNWVMHLODNO-LDYMZIIASA-N 0 3 159.232 2.360 10 0 AEAEHN CCCS[C@@H]1CCCCN1 259130448 573609491 /nfs/dbraw/zinc/60/94/91/573609491.db2.gz CSYZINKSMWXOME-MRVPVSSYSA-N 0 3 159.298 2.229 10 0 AEAEHN COCNCC(C)(C)c1ccccc1 259125891 573609752 /nfs/dbraw/zinc/60/97/52/573609752.db2.gz QEUIUQNUTNVEDB-UHFFFAOYSA-N 0 3 193.290 2.158 10 0 AEAEHN C[C@@H](N)c1cc2ccccc2cn1 142784145 573609548 /nfs/dbraw/zinc/60/95/48/573609548.db2.gz YJPCQCPOMLCUBJ-MRVPVSSYSA-N 0 3 172.231 2.255 10 0 AEAEHN C[C@@H]1C=C[C@H](N)c2ccccc21 75544107 573609598 /nfs/dbraw/zinc/60/95/98/573609598.db2.gz OYQBNWVMHLODNO-KCJUWKMLSA-N 0 3 159.232 2.360 10 0 AEAEHN CCC[C@@H](CC)Nc1nccn1C 50606685 573609679 /nfs/dbraw/zinc/60/96/79/573609679.db2.gz VNOCRAYXSRLXOK-SECBINFHSA-N 0 3 181.283 2.411 10 0 AEAEHN CC1=CCc2ccccc2[C@@H]1N 75544105 573610464 /nfs/dbraw/zinc/61/04/64/573610464.db2.gz NWZUOESVMDLZFV-LLVKDONJSA-N 0 3 159.232 2.189 10 0 AEAEHN CN[C@H](C)[C@H](F)c1ccccc1F 257837103 573610773 /nfs/dbraw/zinc/61/07/73/573610773.db2.gz LIBMWYQMGTXCMM-XCBNKYQSSA-N 0 3 185.217 2.444 10 0 AEAEHN CCC[C@H](C(C)=O)N1CCCCC1 259127285 573610837 /nfs/dbraw/zinc/61/08/37/573610837.db2.gz DROBQZKAIBBKNC-LLVKDONJSA-N 0 3 183.295 2.230 10 0 AEAEHN CC(C)CCCNc1nccn1C 50606146 573610866 /nfs/dbraw/zinc/61/08/66/573610866.db2.gz NIYHUEURAQRFPY-UHFFFAOYSA-N 0 3 181.283 2.268 10 0 AEAEHN CC(C)C1([C@@H]2CNC[C@H](C)O2)CCC1 686125863 573612041 /nfs/dbraw/zinc/61/20/41/573612041.db2.gz JVZAKCTXQPKMJT-QWRGUYRKSA-N 0 3 197.322 2.190 10 0 AEAEHN CC(C)C1([C@H]2CNC[C@@H](C)O2)CCC1 686125859 573612117 /nfs/dbraw/zinc/61/21/17/573612117.db2.gz JVZAKCTXQPKMJT-GHMZBOCLSA-N 0 3 197.322 2.190 10 0 AEAEHN C[C@H]1CCC[C@H](c2ccco2)N1 83739720 573612139 /nfs/dbraw/zinc/61/21/39/573612139.db2.gz OAXNDNZPVUKLES-DTWKUNHWSA-N 0 3 165.236 2.483 10 0 AEAEHN C[C@@H]1CCC[C@H](c2ccco2)N1 83739719 573612393 /nfs/dbraw/zinc/61/23/93/573612393.db2.gz OAXNDNZPVUKLES-RKDXNWHRSA-N 0 3 165.236 2.483 10 0 AEAEHN CCn1ccnc1NCCC(C)C 50608283 573612415 /nfs/dbraw/zinc/61/24/15/573612415.db2.gz GVZIMFMFYAMVOM-UHFFFAOYSA-N 0 3 181.283 2.361 10 0 AEAEHN CCC[C@@H](C(C)=O)N1CCCCC1 259127287 573612537 /nfs/dbraw/zinc/61/25/37/573612537.db2.gz DROBQZKAIBBKNC-NSHDSACASA-N 0 3 183.295 2.230 10 0 AEAEHN C[C@H]1CCC[C@@H](c2ccco2)N1 83739725 573612567 /nfs/dbraw/zinc/61/25/67/573612567.db2.gz OAXNDNZPVUKLES-IUCAKERBSA-N 0 3 165.236 2.483 10 0 AEAEHN CC(C)C1([C@H]2CNC[C@H](C)O2)CCC1 686125864 573612668 /nfs/dbraw/zinc/61/26/68/573612668.db2.gz JVZAKCTXQPKMJT-WDEREUQCSA-N 0 3 197.322 2.190 10 0 AEAEHN CN(CCC1CC1)[C@@H]1CCCCC1=O 308642767 573614988 /nfs/dbraw/zinc/61/49/88/573614988.db2.gz FRMQCIYHJKJPKH-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](C)N[C@@H](C)CO2 238451177 573617418 /nfs/dbraw/zinc/61/74/18/573617418.db2.gz XNCHFQRXXSSGFT-VHSXEESVSA-N 0 3 191.274 2.427 10 0 AEAEHN C[C@H]1COc2ccc(F)cc2[C@@H](C)N1 238451348 573618182 /nfs/dbraw/zinc/61/81/82/573618182.db2.gz WEPMBTBNUITQBD-JGVFFNPUSA-N 0 3 195.237 2.257 10 0 AEAEHN Cc1scnc1[C@@H](N)C(C)C 82400796 573618597 /nfs/dbraw/zinc/61/85/97/573618597.db2.gz GHDRDICKCGZNNY-ZETCQYMHSA-N 0 3 170.281 2.107 10 0 AEAEHN CN(CCC1CC1)[C@H]1CCCCC1=O 308642769 573618752 /nfs/dbraw/zinc/61/87/52/573618752.db2.gz FRMQCIYHJKJPKH-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1oncc1[C@H](C)NC[C@H]1C[C@@H]1C 308643720 573620569 /nfs/dbraw/zinc/62/05/69/573620569.db2.gz GGHLGCLAQZCZLQ-OYNCUSHFSA-N 0 3 194.278 2.290 10 0 AEAEHN CCC(C)(C)C(=O)CN1CCC[C@@H]1C 308658658 573620862 /nfs/dbraw/zinc/62/08/62/573620862.db2.gz OTKVEUYVUWGYDM-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@H]1COc2ccccc2[C@H](C)N1 238451595 573623073 /nfs/dbraw/zinc/62/30/73/573623073.db2.gz ANFNFEJQYRZBPO-IUCAKERBSA-N 0 3 177.247 2.118 10 0 AEAEHN CCC(=O)[C@H](N)CCC(C)(C)C 82403653 573623108 /nfs/dbraw/zinc/62/31/08/573623108.db2.gz PYJKYJDEAGRLKM-MRVPVSSYSA-N 0 3 171.284 2.119 10 0 AEAEHN CNC[C@](C)(F)c1ccccc1F 257834038 573623236 /nfs/dbraw/zinc/62/32/36/573623236.db2.gz LFEWEDFQYPABGQ-JTQLQIEISA-N 0 3 185.217 2.230 10 0 AEAEHN C[C@H]1COc2ccccc2[C@@H](C)N1 238451560 573623433 /nfs/dbraw/zinc/62/34/33/573623433.db2.gz ANFNFEJQYRZBPO-DTWKUNHWSA-N 0 3 177.247 2.118 10 0 AEAEHN CC[C@](C)(N)c1nc2ccccc2[nH]1 86797306 573623532 /nfs/dbraw/zinc/62/35/32/573623532.db2.gz WZAVMYJCXGMOKZ-NSHDSACASA-N 0 3 189.262 2.147 10 0 AEAEHN Cc1oncc1[C@H](C)NC[C@H]1C[C@H]1C 308643718 573624108 /nfs/dbraw/zinc/62/41/08/573624108.db2.gz GGHLGCLAQZCZLQ-KHQFGBGNSA-N 0 3 194.278 2.290 10 0 AEAEHN C/C=C\COc1ccc(F)cc1CN 308408380 573624401 /nfs/dbraw/zinc/62/44/01/573624401.db2.gz XBUZNTKWJVPOCJ-IHWYPQMZSA-N 0 3 195.237 2.239 10 0 AEAEHN C[C@H](c1ccc(N)c(F)c1)N(C)C 142804138 573624754 /nfs/dbraw/zinc/62/47/54/573624754.db2.gz CKUWBNMNAHKLSX-SSDOTTSWSA-N 0 3 182.242 2.031 10 0 AEAEHN C[C@H](O)N1CCC2(CCCCC2)CC1 238453578 573627007 /nfs/dbraw/zinc/62/70/07/573627007.db2.gz WIJLNLWMSYBMNZ-NSHDSACASA-N 0 3 197.322 2.371 10 0 AEAEHN CC[C@@](C)(N)c1nc2ccccc2[nH]1 86797308 573626713 /nfs/dbraw/zinc/62/67/13/573626713.db2.gz WZAVMYJCXGMOKZ-LLVKDONJSA-N 0 3 189.262 2.147 10 0 AEAEHN CN1CCC[C@H](CC(F)(F)F)C1 259532823 573626772 /nfs/dbraw/zinc/62/67/72/573626772.db2.gz WNGDDVYDVUZXDL-SSDOTTSWSA-N 0 3 181.201 2.281 10 0 AEAEHN Cc1cc(F)c(F)c([C@@H](C)N)c1 258072571 573627902 /nfs/dbraw/zinc/62/79/02/573627902.db2.gz UQFXNBOZMLFSQJ-ZCFIWIBFSA-N 0 3 171.190 2.293 10 0 AEAEHN CCC[C@H](N)C(=O)C1CC2(CCC2)C1 717513128 573627948 /nfs/dbraw/zinc/62/79/48/573627948.db2.gz ABYVVQVTCYOUFH-JTQLQIEISA-N 0 3 195.306 2.263 10 0 AEAEHN CCC(CC)Cn1cncc1CNC 130552678 573630846 /nfs/dbraw/zinc/63/08/46/573630846.db2.gz JPEUSPRZWJKHKB-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CC[C@@](C)(N)c1nc(C(C)C)c[nH]1 86810780 573631142 /nfs/dbraw/zinc/63/11/42/573631142.db2.gz LCWOZXKPUOZENP-SNVBAGLBSA-N 0 3 181.283 2.117 10 0 AEAEHN C1=CO[C@@H](CNCc2ccoc2)CC1 130638366 573631167 /nfs/dbraw/zinc/63/11/67/573631167.db2.gz DZQNWMSULFXIEV-LLVKDONJSA-N 0 3 193.246 2.062 10 0 AEAEHN CNCc1c[nH]c([C@@H]2CC[C@H](C)C2)n1 83790702 573632957 /nfs/dbraw/zinc/63/29/57/573632957.db2.gz UNHWMUSRGMPXTQ-DTWKUNHWSA-N 0 3 193.294 2.033 10 0 AEAEHN CNCc1cnc([C@@H]2CC[C@H](C)C2)[nH]1 83790702 573632961 /nfs/dbraw/zinc/63/29/61/573632961.db2.gz UNHWMUSRGMPXTQ-DTWKUNHWSA-N 0 3 193.294 2.033 10 0 AEAEHN Cc1cscc1CNC1CC1 86815535 573633387 /nfs/dbraw/zinc/63/33/87/573633387.db2.gz YDFXUPCGCLZFBY-UHFFFAOYSA-N 0 3 167.277 2.309 10 0 AEAEHN CCc1cccnc1[C@H](N)CC 96554660 573633713 /nfs/dbraw/zinc/63/37/13/573633713.db2.gz MYROKVWHIKMMHO-SECBINFHSA-N 0 3 164.252 2.054 10 0 AEAEHN C[C@@H](NCCC1(C)CC1)c1cc[nH]n1 308650667 573633745 /nfs/dbraw/zinc/63/37/45/573633745.db2.gz KGMZMTMGKWIXIA-SECBINFHSA-N 0 3 193.294 2.251 10 0 AEAEHN Cc1cscc1-c1ocnc1CN 86826298 573633761 /nfs/dbraw/zinc/63/37/61/573633761.db2.gz JLCHPFFLYFUXOP-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN C[C@H](NCCC1(C)CC1)c1cc[nH]n1 308650668 573633825 /nfs/dbraw/zinc/63/38/25/573633825.db2.gz KGMZMTMGKWIXIA-VIFPVBQESA-N 0 3 193.294 2.251 10 0 AEAEHN CNCc1c[nH]c([C@H]2CC[C@@H](C)C2)n1 83790691 573634095 /nfs/dbraw/zinc/63/40/95/573634095.db2.gz UNHWMUSRGMPXTQ-BDAKNGLRSA-N 0 3 193.294 2.033 10 0 AEAEHN CNCc1cnc([C@H]2CC[C@@H](C)C2)[nH]1 83790691 573634099 /nfs/dbraw/zinc/63/40/99/573634099.db2.gz UNHWMUSRGMPXTQ-BDAKNGLRSA-N 0 3 193.294 2.033 10 0 AEAEHN C[C@@]1(C2CCCCCC2)NCCC1=O 258073269 573634262 /nfs/dbraw/zinc/63/42/62/573634262.db2.gz LRBAGWNSVOIDJY-LBPRGKRZSA-N 0 3 195.306 2.278 10 0 AEAEHN CCC(C)(C)CNCc1cnns1 393544374 573634266 /nfs/dbraw/zinc/63/42/66/573634266.db2.gz BREHXYUMTGNBMS-UHFFFAOYSA-N 0 3 199.323 2.064 10 0 AEAEHN O=Cc1ccccc1[C@@H]1CCCCN1 257835004 573635721 /nfs/dbraw/zinc/63/57/21/573635721.db2.gz KLWLWCGUEWNZMJ-LBPRGKRZSA-N 0 3 189.258 2.314 10 0 AEAEHN NCc1cnc2ccccc2c1Cl 259538395 573637164 /nfs/dbraw/zinc/63/71/64/573637164.db2.gz BORODRNHTVJZBT-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN Cc1ccc2c(c1)[C@H](C)N[C@H](C)CO2 238461287 573636821 /nfs/dbraw/zinc/63/68/21/573636821.db2.gz XNCHFQRXXSSGFT-ZJUUUORDSA-N 0 3 191.274 2.427 10 0 AEAEHN CN[C@@H]1c2cc(F)ccc2OC[C@@H]1C 35753464 573640011 /nfs/dbraw/zinc/64/00/11/573640011.db2.gz ZDNMRSHCMCNMPF-CPCISQLKSA-N 0 3 195.237 2.115 10 0 AEAEHN C[C@@H]1N[C@H](C)COc2ccccc21 238461788 573639602 /nfs/dbraw/zinc/63/96/02/573639602.db2.gz ANFNFEJQYRZBPO-BDAKNGLRSA-N 0 3 177.247 2.118 10 0 AEAEHN CCC(C)(C)C(=O)CN1CC[C@H](C)C1 308651812 573639607 /nfs/dbraw/zinc/63/96/07/573639607.db2.gz KQUFDRQNDVQKDR-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CNC[C@@H](F)c1cccc(F)c1F 257845434 573639634 /nfs/dbraw/zinc/63/96/34/573639634.db2.gz PVXGBEMDANWAIY-MRVPVSSYSA-N 0 3 189.180 2.195 10 0 AEAEHN C[C@@H]1N[C@H](C)COc2ccc(F)cc21 238461466 573639778 /nfs/dbraw/zinc/63/97/78/573639778.db2.gz WEPMBTBNUITQBD-SFYZADRCSA-N 0 3 195.237 2.257 10 0 AEAEHN CC(C)(N)Sc1ccccc1 259145425 573640930 /nfs/dbraw/zinc/64/09/30/573640930.db2.gz FCHFKKFGPAARPK-UHFFFAOYSA-N 0 3 167.277 2.474 10 0 AEAEHN CCC(C)(C)C(=O)CN1CC[C@@H](C)C1 308651814 573641187 /nfs/dbraw/zinc/64/11/87/573641187.db2.gz KQUFDRQNDVQKDR-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1COc2ccccc2[C@@H](C)N1 238461720 573641351 /nfs/dbraw/zinc/64/13/51/573641351.db2.gz ANFNFEJQYRZBPO-RKDXNWHRSA-N 0 3 177.247 2.118 10 0 AEAEHN CCC(C)(C)CCN(C)CC(C)=O 686239274 573641382 /nfs/dbraw/zinc/64/13/82/573641382.db2.gz UESKVEZLGIURLK-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN C[C@@H]1COc2ccc(F)cc2[C@@H](C)N1 238461441 573641503 /nfs/dbraw/zinc/64/15/03/573641503.db2.gz WEPMBTBNUITQBD-HTQZYQBOSA-N 0 3 195.237 2.257 10 0 AEAEHN CNC[C@H](F)c1cccc(F)c1F 257845436 573641597 /nfs/dbraw/zinc/64/15/97/573641597.db2.gz PVXGBEMDANWAIY-QMMMGPOBSA-N 0 3 189.180 2.195 10 0 AEAEHN CC[C@H]1CC[C@H](c2nc(CN)c[nH]2)C1 83803550 573641823 /nfs/dbraw/zinc/64/18/23/573641823.db2.gz GIOHJXLXDFYXST-IUCAKERBSA-N 0 3 193.294 2.162 10 0 AEAEHN Cc1cccc2c1O[C@@H](C)C[C@H]2N 35749175 573641759 /nfs/dbraw/zinc/64/17/59/573641759.db2.gz GLDFMECPJQXHLY-WCBMZHEXSA-N 0 3 177.247 2.166 10 0 AEAEHN NC1(c2cccc3ccccc23)COC1 259147703 573642294 /nfs/dbraw/zinc/64/22/94/573642294.db2.gz IAZHGJVGZXAIJF-UHFFFAOYSA-N 0 3 199.253 2.024 10 0 AEAEHN CCCc1cc(CNC)nn1C(C)C 257839394 573642411 /nfs/dbraw/zinc/64/24/11/573642411.db2.gz LQBMHUICYDUQCW-UHFFFAOYSA-N 0 3 195.310 2.136 10 0 AEAEHN CN[C@H](C)[C@H](F)Cc1ccccc1C 257839373 573642526 /nfs/dbraw/zinc/64/25/26/573642526.db2.gz LPJKWBQDNXQRSF-ZYHUDNBSSA-N 0 3 195.281 2.484 10 0 AEAEHN CC[C@@H]1CC[C@H](c2nc(CN)c[nH]2)C1 83803548 573642548 /nfs/dbraw/zinc/64/25/48/573642548.db2.gz GIOHJXLXDFYXST-BDAKNGLRSA-N 0 3 193.294 2.162 10 0 AEAEHN CC(C)c1ccnc(C(C)(C)N)c1 259147549 573642564 /nfs/dbraw/zinc/64/25/64/573642564.db2.gz GTRHNSABPFNCIJ-UHFFFAOYSA-N 0 3 178.279 2.399 10 0 AEAEHN CCCc1nc(C)c(C2(N)CC2)s1 259148015 573642569 /nfs/dbraw/zinc/64/25/69/573642569.db2.gz DFVRIYDBDNLYGH-UHFFFAOYSA-N 0 3 196.319 2.352 10 0 AEAEHN Cc1nc(Cl)c(CN)cc1Cl 257838542 573642613 /nfs/dbraw/zinc/64/26/13/573642613.db2.gz LILXTEUATONVIF-UHFFFAOYSA-N 0 3 191.061 2.156 10 0 AEAEHN CN[C@@H](C)[C@H](F)Cc1ccccc1C 257839362 573643853 /nfs/dbraw/zinc/64/38/53/573643853.db2.gz LPJKWBQDNXQRSF-CMPLNLGQSA-N 0 3 195.281 2.484 10 0 AEAEHN CC[C@@H]1CC[C@@H](c2nc(CN)c[nH]2)C1 83803552 573643924 /nfs/dbraw/zinc/64/39/24/573643924.db2.gz GIOHJXLXDFYXST-RKDXNWHRSA-N 0 3 193.294 2.162 10 0 AEAEHN CN[C@@H](C)[C@@H](F)Cc1ccccc1C 257839366 573644797 /nfs/dbraw/zinc/64/47/97/573644797.db2.gz LPJKWBQDNXQRSF-JQWIXIFHSA-N 0 3 195.281 2.484 10 0 AEAEHN CC[C@H]1CC[C@@H](c2nc(CN)c[nH]2)C1 83803554 573645036 /nfs/dbraw/zinc/64/50/36/573645036.db2.gz GIOHJXLXDFYXST-DTWKUNHWSA-N 0 3 193.294 2.162 10 0 AEAEHN CCCCN1CNC2(CCCCC2)C1 75599543 573646171 /nfs/dbraw/zinc/64/61/71/573646171.db2.gz LYIAFKZNYLZFOB-UHFFFAOYSA-N 0 3 196.338 2.352 10 0 AEAEHN CC(C)([NH3+])Cc1ccc([O-])c(Cl)c1 75601425 573645434 /nfs/dbraw/zinc/64/54/34/573645434.db2.gz CWHQROZRJYYKOX-UHFFFAOYSA-N 0 3 199.681 2.325 10 0 AEAEHN CN[C@H](C)[C@@H](F)Cc1ccccc1C 257839369 573645473 /nfs/dbraw/zinc/64/54/73/573645473.db2.gz LPJKWBQDNXQRSF-PWSUYJOCSA-N 0 3 195.281 2.484 10 0 AEAEHN CC(C)N(C)[C@@H](c1ccco1)[C@@H](C)N 43334374 573645730 /nfs/dbraw/zinc/64/57/30/573645730.db2.gz BHLAIFXSUASJKT-MWLCHTKSSA-N 0 3 196.294 2.008 10 0 AEAEHN CC(C)N(C)[C@H](c1ccco1)[C@@H](C)N 43334375 573645984 /nfs/dbraw/zinc/64/59/84/573645984.db2.gz BHLAIFXSUASJKT-KOLCDFICSA-N 0 3 196.294 2.008 10 0 AEAEHN CC(C)(C)[C@@H](O)c1ccccc1CN 259540951 573646023 /nfs/dbraw/zinc/64/60/23/573646023.db2.gz BSHDWVFDHQYZBW-NSHDSACASA-N 0 3 193.290 2.225 10 0 AEAEHN COC1(CC2CCCCCC2)CNC1 257839439 573646085 /nfs/dbraw/zinc/64/60/85/573646085.db2.gz LQQXJAXXEIZLHG-UHFFFAOYSA-N 0 3 197.322 2.335 10 0 AEAEHN CC(C)(C)[C@H](O)c1ccccc1CN 259540943 573646740 /nfs/dbraw/zinc/64/67/40/573646740.db2.gz BSHDWVFDHQYZBW-LLVKDONJSA-N 0 3 193.290 2.225 10 0 AEAEHN C[C@@H](CC1CC1)Nc1ncc[nH]1 235084452 573646924 /nfs/dbraw/zinc/64/69/24/573646924.db2.gz VIFCKYXPUZAIJN-ZETCQYMHSA-N 0 3 165.240 2.010 10 0 AEAEHN CN[C@H](c1ccoc1)[C@H]1C[C@H]1C 83808949 573648010 /nfs/dbraw/zinc/64/80/10/573648010.db2.gz MIBQANMWIZOBHY-FKTZTGRPSA-N 0 3 165.236 2.196 10 0 AEAEHN C[C@H]1CCC[C@]12CC(=O)CC(C)(C)N2 238466534 573648611 /nfs/dbraw/zinc/64/86/11/573648611.db2.gz DUILMUALILHNIF-CABZTGNLSA-N 0 3 195.306 2.276 10 0 AEAEHN CC(=O)CNCCC1CCCCC1 258830260 573649485 /nfs/dbraw/zinc/64/94/85/573649485.db2.gz BEGLXEUPYQIQEO-UHFFFAOYSA-N 0 3 183.295 2.135 10 0 AEAEHN CC(C)[C@@]1(c2ccccc2O)C[C@H]1N 257840783 573649608 /nfs/dbraw/zinc/64/96/08/573649608.db2.gz MAFBOBWWSPMORS-VXGBXAGGSA-N 0 3 191.274 2.017 10 0 AEAEHN C[C@H](N)c1nocc1-c1ccccc1 257840089 573649889 /nfs/dbraw/zinc/64/98/89/573649889.db2.gz NNTHQWITGWYAGN-QMMMGPOBSA-N 0 3 188.230 2.361 10 0 AEAEHN CC(C)[C@]1(c2ccccc2O)C[C@H]1N 257840780 573649944 /nfs/dbraw/zinc/64/99/44/573649944.db2.gz MAFBOBWWSPMORS-NEPJUHHUSA-N 0 3 191.274 2.017 10 0 AEAEHN CCn1c(CN)cc2c(F)cccc21 257840386 573650290 /nfs/dbraw/zinc/65/02/90/573650290.db2.gz BPTIBZWOMZZGAA-UHFFFAOYSA-N 0 3 192.237 2.259 10 0 AEAEHN Cc1cc([C@@H]2CCC[NH2+]2)cc([O-])c1F 258080643 573650494 /nfs/dbraw/zinc/65/04/94/573650494.db2.gz NALWYOLVBRLPJI-VIFPVBQESA-N 0 3 195.237 2.264 10 0 AEAEHN C[C@H](CF)NC/C=C/c1ccncc1 308655611 573650506 /nfs/dbraw/zinc/65/05/06/573650506.db2.gz NXXBXQJKRXMGIX-VMZHVLLKSA-N 0 3 194.253 2.042 10 0 AEAEHN Cc1ccnc([C@H](C)NCC2CC2)c1 308657692 573650770 /nfs/dbraw/zinc/65/07/70/573650770.db2.gz OTVLNGQLXJBXFB-JTQLQIEISA-N 0 3 190.290 2.451 10 0 AEAEHN Cc1ccnc([C@@H](C)NCC2CC2)c1 308657693 573650952 /nfs/dbraw/zinc/65/09/52/573650952.db2.gz OTVLNGQLXJBXFB-SNVBAGLBSA-N 0 3 190.290 2.451 10 0 AEAEHN CCCCNCc1cc(N)ccc1F 308657144 573652705 /nfs/dbraw/zinc/65/27/05/573652705.db2.gz NYQVIEKODTVBJM-UHFFFAOYSA-N 0 3 196.269 2.298 10 0 AEAEHN Nc1cccc2c1[C@H](N)c1ccccc1-2 33756017 573652314 /nfs/dbraw/zinc/65/23/14/573652314.db2.gz SKKKJNPBIGQNEJ-CYBMUJFWSA-N 0 3 196.253 2.297 10 0 AEAEHN Cc1cccc([C@H](N)[C@H](C)O)c1Cl 238466551 573652340 /nfs/dbraw/zinc/65/23/40/573652340.db2.gz MRISUIQYMQDRJU-OIBJUYFYSA-N 0 3 199.681 2.029 10 0 AEAEHN C[C@@H](CF)NC/C=C\c1ccncc1 308655612 573652507 /nfs/dbraw/zinc/65/25/07/573652507.db2.gz NXXBXQJKRXMGIX-ZMWSMAPVSA-N 0 3 194.253 2.042 10 0 AEAEHN Cc1nc([C@@H]2C[C@H]2C)sc1CN 83810316 573652727 /nfs/dbraw/zinc/65/27/27/573652727.db2.gz VLWUTAQAMUACES-IYSWYEEDSA-N 0 3 182.292 2.034 10 0 AEAEHN Cc1cccc2coc(CN)c12 238458085 573653719 /nfs/dbraw/zinc/65/37/19/573653719.db2.gz ZTCODNGCQCNGSH-UHFFFAOYSA-N 0 3 161.204 2.200 10 0 AEAEHN N[C@H]1COCc2scc(C3CC3)c21 75627509 573653814 /nfs/dbraw/zinc/65/38/14/573653814.db2.gz VXBHHDXYIMLBGY-QMMMGPOBSA-N 0 3 195.287 2.156 10 0 AEAEHN CNCc1sc([C@H]2C[C@@H]2C)nc1C 83810320 573653839 /nfs/dbraw/zinc/65/38/39/573653839.db2.gz NLHJKGFYVCJVFT-XPUUQOCRSA-N 0 3 196.319 2.294 10 0 AEAEHN CCOc1cccc([C@@H](F)CNC)c1 257841690 573653996 /nfs/dbraw/zinc/65/39/96/573653996.db2.gz OIHIVAXOGAFJLQ-NSHDSACASA-N 0 3 197.253 2.315 10 0 AEAEHN CNC[C@@](C)(F)c1ccc(OC)cc1 257841776 573654055 /nfs/dbraw/zinc/65/40/55/573654055.db2.gz OLXSBWYXUWICLK-LLVKDONJSA-N 0 3 197.253 2.099 10 0 AEAEHN C[C@H]1NC(C)(C)CN1c1ccccc1 238471135 573654261 /nfs/dbraw/zinc/65/42/61/573654261.db2.gz YUTMYJRPCNIZBH-JTQLQIEISA-N 0 3 190.290 2.221 10 0 AEAEHN CC(C)c1csc2c1[C@@H](N)COC2 75627507 573654322 /nfs/dbraw/zinc/65/43/22/573654322.db2.gz XPLAZYBCZOSGIW-QMMMGPOBSA-N 0 3 197.303 2.402 10 0 AEAEHN CCOc1cccc([C@H](F)CNC)c1 257841688 573654343 /nfs/dbraw/zinc/65/43/43/573654343.db2.gz OIHIVAXOGAFJLQ-LLVKDONJSA-N 0 3 197.253 2.315 10 0 AEAEHN N[C@H]1CCn2c1cc1ccc(F)cc12 257841761 573654486 /nfs/dbraw/zinc/65/44/86/573654486.db2.gz MLRFGISVQMJKDN-VIFPVBQESA-N 0 3 190.221 2.184 10 0 AEAEHN FC1(F)CNC2(CCCCC2)C1 257841412 573654596 /nfs/dbraw/zinc/65/45/96/573654596.db2.gz BVKWZXZFYQTKBE-UHFFFAOYSA-N 0 3 175.222 2.318 10 0 AEAEHN CCc1nc2cc3c(cc2[nH]1)NCC3 258506603 573657072 /nfs/dbraw/zinc/65/70/72/573657072.db2.gz COGFMOJMIUBQRE-UHFFFAOYSA-N 0 3 187.246 2.093 10 0 AEAEHN C[C@H](N)[C@H](OC(C)(C)C)c1ccco1 43337539 573657951 /nfs/dbraw/zinc/65/79/51/573657951.db2.gz VSDQVLWYYWEUGX-WPRPVWTQSA-N 0 3 197.278 2.483 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1ccccc1OC 257842826 573657996 /nfs/dbraw/zinc/65/79/96/573657996.db2.gz MUBVHLUYOIAUBL-LDYMZIIASA-N 0 3 197.253 2.314 10 0 AEAEHN CCCCO[C@H](c1ccco1)[C@@H](C)N 43337766 573657997 /nfs/dbraw/zinc/65/79/97/573657997.db2.gz KQRCAWFHWBSQTH-KOLCDFICSA-N 0 3 197.278 2.485 10 0 AEAEHN CC(C)C[C@](F)(CN)C(F)(F)F 259545647 573657998 /nfs/dbraw/zinc/65/79/98/573657998.db2.gz CBQUXJQSSVIIQS-LURJTMIESA-N 0 3 187.180 2.262 10 0 AEAEHN CN(C)Cc1cc2c(N)cccc2o1 258082062 573658021 /nfs/dbraw/zinc/65/80/21/573658021.db2.gz QMKCWTFGXTVMKR-UHFFFAOYSA-N 0 3 190.246 2.077 10 0 AEAEHN CCC(C)(C)O[C@H](CN)c1ccco1 43337570 573658965 /nfs/dbraw/zinc/65/89/65/573658965.db2.gz YWRUVWXCQVTJEG-SNVBAGLBSA-N 0 3 197.278 2.485 10 0 AEAEHN C[C@H]1NCCc2cc(F)cc(F)c21 75641214 573662588 /nfs/dbraw/zinc/66/25/88/573662588.db2.gz NHIPEBANBCDIDE-ZCFIWIBFSA-N 0 3 183.201 2.172 10 0 AEAEHN CC(C)c1cn2c(n1)[C@H](N)C[C@H](C)C2 107827001 573660388 /nfs/dbraw/zinc/66/03/88/573660388.db2.gz VSFYVSYOOHBFJX-DTWKUNHWSA-N 0 3 193.294 2.046 10 0 AEAEHN COCNCCc1ccc(C)c(C)c1 259154106 573664790 /nfs/dbraw/zinc/66/47/90/573664790.db2.gz SJGYXCGCJCCXLP-UHFFFAOYSA-N 0 3 193.290 2.039 10 0 AEAEHN CC(C)CCO[C@@H](CN)c1ccco1 43337127 573659741 /nfs/dbraw/zinc/65/97/41/573659741.db2.gz NQQZDXRCTHNARF-NSHDSACASA-N 0 3 197.278 2.342 10 0 AEAEHN CC[C@@H]1N[C@@H](C)[C@H](O)c2ccccc21 107832960 573659835 /nfs/dbraw/zinc/65/98/35/573659835.db2.gz UYJQABLHNLIOPO-UWJYBYFXSA-N 0 3 191.274 2.163 10 0 AEAEHN CC[C@@H](C)O[C@H](c1ccco1)[C@@H](C)N 43337863 573659972 /nfs/dbraw/zinc/65/99/72/573659972.db2.gz XJWJFKQUNLPZKE-KKZNHRDASA-N 0 3 197.278 2.483 10 0 AEAEHN CC[C@@H](C)O[C@@H](c1ccco1)[C@@H](C)N 43337861 573660177 /nfs/dbraw/zinc/66/01/77/573660177.db2.gz XJWJFKQUNLPZKE-FXPVBKGRSA-N 0 3 197.278 2.483 10 0 AEAEHN CC[C@H](C)O[C@H](CN)c1ccco1 43337860 573660403 /nfs/dbraw/zinc/66/04/03/573660403.db2.gz CTYWSMJYSVNCFI-WCBMZHEXSA-N 0 3 183.251 2.095 10 0 AEAEHN Cc1ncc(CN)c(C)c1C(F)F 238471714 573660428 /nfs/dbraw/zinc/66/04/28/573660428.db2.gz RVJGUDMEJDBZQV-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CCN(CC)[C@H](C)c1ccc(CN)o1 257842232 573660632 /nfs/dbraw/zinc/66/06/32/573660632.db2.gz MQWNVUQLDDUHTR-SECBINFHSA-N 0 3 196.294 2.141 10 0 AEAEHN CC(C)CO[C@H](c1ccco1)[C@H](C)N 43337142 573660795 /nfs/dbraw/zinc/66/07/95/573660795.db2.gz JTRQBDZXWNNEAE-ONGXEEELSA-N 0 3 197.278 2.341 10 0 AEAEHN CCCCO[C@H](c1ccco1)[C@H](C)N 43337768 573660810 /nfs/dbraw/zinc/66/08/10/573660810.db2.gz KQRCAWFHWBSQTH-ONGXEEELSA-N 0 3 197.278 2.485 10 0 AEAEHN CC(C)(C)c1nc2n(c1N)CCCC2 107841993 573660930 /nfs/dbraw/zinc/66/09/30/573660930.db2.gz BJTRDHMIBVXVPW-UHFFFAOYSA-N 0 3 193.294 2.099 10 0 AEAEHN CC(C)CCO[C@H](CN)c1ccco1 43337128 573661021 /nfs/dbraw/zinc/66/10/21/573661021.db2.gz NQQZDXRCTHNARF-LLVKDONJSA-N 0 3 197.278 2.342 10 0 AEAEHN CCCO[C@H](c1ccco1)[C@@H](C)N 43337756 573661226 /nfs/dbraw/zinc/66/12/26/573661226.db2.gz VNHSHXDLFHGGAM-SCZZXKLOSA-N 0 3 183.251 2.095 10 0 AEAEHN CC(C)CO[C@@H](c1ccco1)[C@@H](C)N 43337139 573661330 /nfs/dbraw/zinc/66/13/30/573661330.db2.gz JTRQBDZXWNNEAE-MWLCHTKSSA-N 0 3 197.278 2.341 10 0 AEAEHN CNCc1cc2cc(F)cc(F)c2o1 83820383 573661467 /nfs/dbraw/zinc/66/14/67/573661467.db2.gz UIRQRYLDXUDEMS-UHFFFAOYSA-N 0 3 197.184 2.430 10 0 AEAEHN C[C@H]1CN[C@](C)(c2ccccc2)OC1 258849717 573661507 /nfs/dbraw/zinc/66/15/07/573661507.db2.gz ZWQBRFZEVBIHMM-JQWIXIFHSA-N 0 3 191.274 2.115 10 0 AEAEHN CC[C@H](C)O[C@H](c1ccco1)[C@@H](C)N 43337864 573661518 /nfs/dbraw/zinc/66/15/18/573661518.db2.gz XJWJFKQUNLPZKE-NGZCFLSTSA-N 0 3 197.278 2.483 10 0 AEAEHN CC(=O)CNCC(C)(C)C1CCCC1 258847055 573661626 /nfs/dbraw/zinc/66/16/26/573661626.db2.gz CYDRZWDAGUEMNF-UHFFFAOYSA-N 0 3 197.322 2.381 10 0 AEAEHN C[C@H]1N[C@H](C)C[C@@H](c2ccccc2)O1 238471755 573661956 /nfs/dbraw/zinc/66/19/56/573661956.db2.gz AKRXOMAITHXIFT-SCVCMEIPSA-N 0 3 191.274 2.472 10 0 AEAEHN Cc1ccnc([C@@H](C)NCCCF)c1 308666696 573661723 /nfs/dbraw/zinc/66/17/23/573661723.db2.gz SUMGKMOEKXWHNP-SNVBAGLBSA-N 0 3 196.269 2.400 10 0 AEAEHN C[C@H](NCCCC1CC1)c1ncc[nH]1 308664580 573661894 /nfs/dbraw/zinc/66/18/94/573661894.db2.gz RUMLOBIILWIBIM-VIFPVBQESA-N 0 3 193.294 2.251 10 0 AEAEHN CC(C)CO[C@H](c1ccco1)[C@@H](C)N 43337140 573661793 /nfs/dbraw/zinc/66/17/93/573661793.db2.gz JTRQBDZXWNNEAE-KOLCDFICSA-N 0 3 197.278 2.341 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1ccccc1OC 257842823 573662065 /nfs/dbraw/zinc/66/20/65/573662065.db2.gz MUBVHLUYOIAUBL-GZMMTYOYSA-N 0 3 197.253 2.314 10 0 AEAEHN CCCCO[C@@H](CN)c1ccco1 43337763 573662101 /nfs/dbraw/zinc/66/21/01/573662101.db2.gz BWPAHVZPGNNLBB-JTQLQIEISA-N 0 3 183.251 2.096 10 0 AEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)OC1 258849712 573662170 /nfs/dbraw/zinc/66/21/70/573662170.db2.gz ZWQBRFZEVBIHMM-CMPLNLGQSA-N 0 3 191.274 2.115 10 0 AEAEHN CNC[C@@](C)(F)Cc1ccc(F)cc1 257843531 573662205 /nfs/dbraw/zinc/66/22/05/573662205.db2.gz KWYNJARNLHWTEO-NSHDSACASA-N 0 3 199.244 2.316 10 0 AEAEHN C[C@@H](N)[C@H](OCC1CC1)c1ccco1 43337406 573662252 /nfs/dbraw/zinc/66/22/52/573662252.db2.gz FRFAIFLLPREWDJ-KCJUWKMLSA-N 0 3 195.262 2.095 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1ccccc1OC 257842825 573662282 /nfs/dbraw/zinc/66/22/82/573662282.db2.gz MUBVHLUYOIAUBL-KWQFWETISA-N 0 3 197.253 2.314 10 0 AEAEHN Cc1csc2c1[C@H](N)CSC2 75627902 573662378 /nfs/dbraw/zinc/66/23/78/573662378.db2.gz XSDNZWBDTQKFQE-ZCFIWIBFSA-N 0 3 185.317 2.303 10 0 AEAEHN C[C@H]1Cc2ccncc2[C@@H](C2CC2)N1 107851444 573664901 /nfs/dbraw/zinc/66/49/01/573664901.db2.gz DAEDPUVXIMBTKJ-QPUJVOFHSA-N 0 3 188.274 2.067 10 0 AEAEHN C[C@H]1CC(=O)CC2(CCCCC2)N1 238474775 573664921 /nfs/dbraw/zinc/66/49/21/573664921.db2.gz IYHDVCOMOBSMBX-VIFPVBQESA-N 0 3 181.279 2.030 10 0 AEAEHN Cc1ccc([C@H](CN)OCC(C)C)o1 43366356 573664949 /nfs/dbraw/zinc/66/49/49/573664949.db2.gz NIPCZINRVJEEKH-NSHDSACASA-N 0 3 197.278 2.260 10 0 AEAEHN Cc1ccc([C@@H](CN)OC(C)(C)C)o1 43366731 573664416 /nfs/dbraw/zinc/66/44/16/573664416.db2.gz SLNQPYKBJZEROU-SNVBAGLBSA-N 0 3 197.278 2.403 10 0 AEAEHN Cc1ccccc1OC[C@@](C)(F)CN 257844424 573664432 /nfs/dbraw/zinc/66/44/32/573664432.db2.gz NEOJJGSCYCFCQA-NSHDSACASA-N 0 3 197.253 2.061 10 0 AEAEHN C[C@@H]1NC[C@@H](c2ccccc2)O[C@@H]1C 83823600 573664536 /nfs/dbraw/zinc/66/45/36/573664536.db2.gz RFMDXLQXEDTPJS-UMNHJUIQSA-N 0 3 191.274 2.125 10 0 AEAEHN C[C@@H](NCCCC1CC1)c1ncc[nH]1 308664578 573664547 /nfs/dbraw/zinc/66/45/47/573664547.db2.gz RUMLOBIILWIBIM-SECBINFHSA-N 0 3 193.294 2.251 10 0 AEAEHN C[C@H]1Cc2ccc(F)cc2[C@H](C)N1 107848922 573664571 /nfs/dbraw/zinc/66/45/71/573664571.db2.gz FYFMTBKBZHLWRQ-YUMQZZPRSA-N 0 3 179.238 2.421 10 0 AEAEHN Cc1ccc([C@@H](CN)OCC(C)C)o1 43366355 573664599 /nfs/dbraw/zinc/66/45/99/573664599.db2.gz NIPCZINRVJEEKH-LLVKDONJSA-N 0 3 197.278 2.260 10 0 AEAEHN Cc1ccc([C@H](CN)OC(C)(C)C)o1 43366732 573664676 /nfs/dbraw/zinc/66/46/76/573664676.db2.gz SLNQPYKBJZEROU-JTQLQIEISA-N 0 3 197.278 2.403 10 0 AEAEHN CC(C)C[C@@]1(C)NCCS1 83823432 573664691 /nfs/dbraw/zinc/66/46/91/573664691.db2.gz QCWJLAHDNKXFIQ-QMMMGPOBSA-N 0 3 159.298 2.085 10 0 AEAEHN Cc1ccnc([C@H](C)NCCCF)c1 308666695 573664712 /nfs/dbraw/zinc/66/47/12/573664712.db2.gz SUMGKMOEKXWHNP-JTQLQIEISA-N 0 3 196.269 2.400 10 0 AEAEHN CC[C@H](C)O[C@H](CN)c1ccc(C)o1 43367002 573664745 /nfs/dbraw/zinc/66/47/45/573664745.db2.gz XKVGKPAHCWYWSN-GZMMTYOYSA-N 0 3 197.278 2.403 10 0 AEAEHN C[C@H]1CS[C@@H](C(C)(C)C)N1 83823643 573665073 /nfs/dbraw/zinc/66/50/73/573665073.db2.gz VFFFHLRFKDKXEL-BQBZGAKWSA-N 0 3 159.298 2.084 10 0 AEAEHN CCC[C@@H]1NCCc2ccc(O)cc21 107846688 573665882 /nfs/dbraw/zinc/66/58/82/573665882.db2.gz DYAIEHSMOGGVJS-LBPRGKRZSA-N 0 3 191.274 2.379 10 0 AEAEHN CN(C[C@@H]1CCC(C)(C)C1=O)C1CC1 86870786 573665931 /nfs/dbraw/zinc/66/59/31/573665931.db2.gz NXZTVPYXYCOLQX-VIFPVBQESA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@H]1N[C@H](C)Cc2ncccc21 107850970 573665996 /nfs/dbraw/zinc/66/59/96/573665996.db2.gz XKCYFRUUCOQNOZ-PSASIEDQSA-N 0 3 176.263 2.067 10 0 AEAEHN Nc1nc(-c2cccc(Cl)c2)c[nH]1 83824320 573666168 /nfs/dbraw/zinc/66/61/68/573666168.db2.gz YELBBZBTDDAADY-UHFFFAOYSA-N 0 3 193.637 2.312 10 0 AEAEHN C[C@@H]1NC[C@@H](c2ccccc2)O[C@H]1C 83823598 573666279 /nfs/dbraw/zinc/66/62/79/573666279.db2.gz RFMDXLQXEDTPJS-NHCYSSNCSA-N 0 3 191.274 2.125 10 0 AEAEHN C[C@H]1CS[C@H](C(C)(C)C)N1 83823641 573666346 /nfs/dbraw/zinc/66/63/46/573666346.db2.gz VFFFHLRFKDKXEL-NKWVEPMBSA-N 0 3 159.298 2.084 10 0 AEAEHN Cc1ccccc1OC[C@](C)(F)CN 257844423 573666379 /nfs/dbraw/zinc/66/63/79/573666379.db2.gz NEOJJGSCYCFCQA-LLVKDONJSA-N 0 3 197.253 2.061 10 0 AEAEHN CNC[C@](C)(F)c1cccc(OC)c1 257844528 573666391 /nfs/dbraw/zinc/66/63/91/573666391.db2.gz PLIKCGPTXHRLNL-NSHDSACASA-N 0 3 197.253 2.099 10 0 AEAEHN CCc1cccc([C@H](F)CNC)c1 257843751 573666435 /nfs/dbraw/zinc/66/64/35/573666435.db2.gz PBVLFMHQQAZKMQ-LLVKDONJSA-N 0 3 181.254 2.479 10 0 AEAEHN C[C@@H]1Cc2ccc(F)cc2[C@@H](C)N1 107848928 573666494 /nfs/dbraw/zinc/66/64/94/573666494.db2.gz FYFMTBKBZHLWRQ-HTQZYQBOSA-N 0 3 179.238 2.421 10 0 AEAEHN CCC[C@H]1NCCc2ccc(O)cc21 107846686 573666738 /nfs/dbraw/zinc/66/67/38/573666738.db2.gz DYAIEHSMOGGVJS-GFCCVEGCSA-N 0 3 191.274 2.379 10 0 AEAEHN C[C@H]1CN[C@@H](Cc2ccccc2)S1 83824048 573666851 /nfs/dbraw/zinc/66/68/51/573666851.db2.gz OXYVYBWZKJSAMV-GXSJLCMTSA-N 0 3 193.315 2.280 10 0 AEAEHN Cc1cccc(-c2conc2CN)c1 257843763 573666890 /nfs/dbraw/zinc/66/68/90/573666890.db2.gz PDGRJXFOTJVFKF-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CC[C@@H]1N[C@H](C)Cc2ccc(O)cc21 107850336 573669418 /nfs/dbraw/zinc/66/94/18/573669418.db2.gz BIPQOEXBDANPFL-PELKAZGASA-N 0 3 191.274 2.378 10 0 AEAEHN C[C@H]1Cc2ccc(F)cc2[C@@H](C)N1 107848933 573669522 /nfs/dbraw/zinc/66/95/22/573669522.db2.gz FYFMTBKBZHLWRQ-JGVFFNPUSA-N 0 3 179.238 2.421 10 0 AEAEHN Cc1oncc1[C@H](C)NCCC1CC1 308661437 573669524 /nfs/dbraw/zinc/66/95/24/573669524.db2.gz QDLQGAMRUUSFSK-QMMMGPOBSA-N 0 3 194.278 2.434 10 0 AEAEHN CC[C@@H](C)O[C@H](CN)c1ccc(C)o1 43367001 573669323 /nfs/dbraw/zinc/66/93/23/573669323.db2.gz XKVGKPAHCWYWSN-LDYMZIIASA-N 0 3 197.278 2.403 10 0 AEAEHN CC1(C)CCC[C@H]1NCc1cnco1 86872938 573669517 /nfs/dbraw/zinc/66/95/17/573669517.db2.gz KRGNWQDRWOIASJ-SNVBAGLBSA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@H](C)O[C@@H](CN)c1ccc(C)o1 43367000 573669650 /nfs/dbraw/zinc/66/96/50/573669650.db2.gz XKVGKPAHCWYWSN-KWQFWETISA-N 0 3 197.278 2.403 10 0 AEAEHN Cn1ccnc1N[C@H]1CCCC1(C)C 86876005 573669759 /nfs/dbraw/zinc/66/97/59/573669759.db2.gz ABOBUOIMRVWVPZ-VIFPVBQESA-N 0 3 193.294 2.411 10 0 AEAEHN C[C@H](N)c1cncn1CCCC1CC1 130721820 573670009 /nfs/dbraw/zinc/67/00/09/573670009.db2.gz IIONGZYVZCRKIA-VIFPVBQESA-N 0 3 193.294 2.093 10 0 AEAEHN CC1(C)CCC[C@@H]1NC1=NCCS1 86876625 573670247 /nfs/dbraw/zinc/67/02/47/573670247.db2.gz QUHTXKXCPRPIIE-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN CC1(C)CCC[C@H]1NC1=NCCS1 86876628 573670339 /nfs/dbraw/zinc/67/03/39/573670339.db2.gz QUHTXKXCPRPIIE-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN Nc1cnc2ccccc2c1NC1CC1 162110970 573673690 /nfs/dbraw/zinc/67/36/90/573673690.db2.gz UDBLMODBRVKKEC-UHFFFAOYSA-N 0 3 199.257 2.391 10 0 AEAEHN Cc1ccc(C)c(C=C2CNC2)c1 86881841 573670775 /nfs/dbraw/zinc/67/07/75/573670775.db2.gz KZYSWNOBRQFHFM-UHFFFAOYSA-N 0 3 173.259 2.290 10 0 AEAEHN Cc1oncc1[C@@H](C)NCCC1CC1 308661436 573670813 /nfs/dbraw/zinc/67/08/13/573670813.db2.gz QDLQGAMRUUSFSK-MRVPVSSYSA-N 0 3 194.278 2.434 10 0 AEAEHN CC1(C)CCC[C@@H]1n1cncc1CN 86878398 573670895 /nfs/dbraw/zinc/67/08/95/573670895.db2.gz FFFLUIKFECBBRN-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CC1(C)CCC[C@@H]1N1CCC(=O)CC1 86875381 573671264 /nfs/dbraw/zinc/67/12/64/573671264.db2.gz ZRRFKPVTFZSCAZ-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)CCc1ncc(CN)s1 43374667 573671304 /nfs/dbraw/zinc/67/13/04/573671304.db2.gz BUUACENNJHMSFT-UHFFFAOYSA-N 0 3 184.308 2.190 10 0 AEAEHN Cn1ccnc1N[C@@H]1CCCC1(C)C 86876008 573671458 /nfs/dbraw/zinc/67/14/58/573671458.db2.gz ABOBUOIMRVWVPZ-SECBINFHSA-N 0 3 193.294 2.411 10 0 AEAEHN CCCCCC=C1CNC1 86881820 573671588 /nfs/dbraw/zinc/67/15/88/573671588.db2.gz PGYNILCWYNOPRQ-UHFFFAOYSA-N 0 3 139.242 2.096 10 0 AEAEHN NCc1ccc2c(c1F)CCCC2 258076670 573672146 /nfs/dbraw/zinc/67/21/46/573672146.db2.gz VDEKWPDBXXPMDI-UHFFFAOYSA-N 0 3 179.238 2.163 10 0 AEAEHN CC1(C)CCC[C@H]1N1CCC(=O)CC1 86875386 573672465 /nfs/dbraw/zinc/67/24/65/573672465.db2.gz ZRRFKPVTFZSCAZ-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN CN(C)Cc1coc2cc(N)ccc12 258078946 573672493 /nfs/dbraw/zinc/67/24/93/573672493.db2.gz QKSSJQTVHNOKME-UHFFFAOYSA-N 0 3 190.246 2.077 10 0 AEAEHN CC1(C)CCC[C@@H]1NCc1cnco1 86872936 573672784 /nfs/dbraw/zinc/67/27/84/573672784.db2.gz KRGNWQDRWOIASJ-JTQLQIEISA-N 0 3 194.278 2.343 10 0 AEAEHN Nc1cccc(N2CCCCCC2)n1 83824860 573673161 /nfs/dbraw/zinc/67/31/61/573673161.db2.gz BZGRNJIXFXYPAI-UHFFFAOYSA-N 0 3 191.278 2.044 10 0 AEAEHN Cc1ccccc1Nc1nccn1C 78142382 573673257 /nfs/dbraw/zinc/67/32/57/573673257.db2.gz DXLNNMANXRIMIH-UHFFFAOYSA-N 0 3 187.246 2.472 10 0 AEAEHN CN[C@@H]1C[C@@H](c2ccccc2)CCO1 144635759 573673635 /nfs/dbraw/zinc/67/36/35/573673635.db2.gz XHYFSRHWJUEGHT-RYUDHWBXSA-N 0 3 191.274 2.126 10 0 AEAEHN CC1(C)CCC[C@H]1n1cncc1CN 86878400 573673436 /nfs/dbraw/zinc/67/34/36/573673436.db2.gz FFFLUIKFECBBRN-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CC[C@H]1CCCCC1=C1CNC1 86881879 573673608 /nfs/dbraw/zinc/67/36/08/573673608.db2.gz PRZUMSBYMOPTIQ-VIFPVBQESA-N 0 3 165.280 2.486 10 0 AEAEHN CC(C)CCN1CCC(=O)CC1(C)C 258867851 573673934 /nfs/dbraw/zinc/67/39/34/573673934.db2.gz RUYJAVVEYABIML-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN CN[C@H]1C[C@@H](c2ccccc2)CCO1 144635972 573674090 /nfs/dbraw/zinc/67/40/90/573674090.db2.gz XHYFSRHWJUEGHT-NWDGAFQWSA-N 0 3 191.274 2.126 10 0 AEAEHN Fc1ccc(C=C2CNC2)c(Cl)c1 86881964 573674249 /nfs/dbraw/zinc/67/42/49/573674249.db2.gz ABWBLUVLYGONHB-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN C(=C1CNC1)c1ccc2c(c1)CCC2 86881928 573674266 /nfs/dbraw/zinc/67/42/66/573674266.db2.gz ZQUCOOYOTFHZHW-UHFFFAOYSA-N 0 3 185.270 2.162 10 0 AEAEHN C[C@@H]1CC(=C2CNC2)C[C@@H](C)C1 86882198 573674349 /nfs/dbraw/zinc/67/43/49/573674349.db2.gz YTAUMBGJOQUONW-IUCAKERBSA-N 0 3 165.280 2.342 10 0 AEAEHN C[C@@H]1CC(=C2CNC2)C[C@H](C)C1 86882195 573674481 /nfs/dbraw/zinc/67/44/81/573674481.db2.gz YTAUMBGJOQUONW-DTORHVGOSA-N 0 3 165.280 2.342 10 0 AEAEHN CC(C)CCc1nc(CN)cs1 43374678 573674504 /nfs/dbraw/zinc/67/45/04/573674504.db2.gz ORPQAJDIBYTSKN-UHFFFAOYSA-N 0 3 184.308 2.190 10 0 AEAEHN CCc1ccc(C=C2CNC2)cc1 86881907 573674607 /nfs/dbraw/zinc/67/46/07/573674607.db2.gz AAIKAZWDMZAWSW-UHFFFAOYSA-N 0 3 173.259 2.236 10 0 AEAEHN Cc1cc2c(cc1F)[C@H](C)NCC2 75711682 573674826 /nfs/dbraw/zinc/67/48/26/573674826.db2.gz OQMVAQCCVWFJQU-QMMMGPOBSA-N 0 3 179.238 2.341 10 0 AEAEHN C[C@H]1CC(=C2CNC2)C[C@H](C)C1 86882200 573674828 /nfs/dbraw/zinc/67/48/28/573674828.db2.gz YTAUMBGJOQUONW-RKDXNWHRSA-N 0 3 165.280 2.342 10 0 AEAEHN C[C@H](N)c1n[nH]cc1C1CCCC1 257846401 573674840 /nfs/dbraw/zinc/67/48/40/573674840.db2.gz QDHGVJYUOBVWFV-ZETCQYMHSA-N 0 3 179.267 2.087 10 0 AEAEHN C[C@@H]1CCC(=C2CNC2)C[C@H]1C 86882247 573674966 /nfs/dbraw/zinc/67/49/66/573674966.db2.gz GFKFMZXMBKDOOE-RKDXNWHRSA-N 0 3 165.280 2.342 10 0 AEAEHN CC[C@H]1CCCC(=C2CNC2)C1 86882052 573677181 /nfs/dbraw/zinc/67/71/81/573677181.db2.gz JBVWMTBLPCRUBW-VIFPVBQESA-N 0 3 165.280 2.486 10 0 AEAEHN CC(C)C[C@@H](N)c1cc(F)ccc1N 107995326 573677184 /nfs/dbraw/zinc/67/71/84/573677184.db2.gz LBNFTNBMRIVWQM-LLVKDONJSA-N 0 3 196.269 2.454 10 0 AEAEHN CCCCCc1c[nH]c(NC)n1 258867378 573676284 /nfs/dbraw/zinc/67/62/84/573676284.db2.gz RRKMUGCQWBMREV-UHFFFAOYSA-N 0 3 167.256 2.184 10 0 AEAEHN C(CCc1ccccc1)=C1CNC1 86882233 573676302 /nfs/dbraw/zinc/67/63/02/573676302.db2.gz OOQWYCGTPXAFDU-UHFFFAOYSA-N 0 3 173.259 2.149 10 0 AEAEHN Cc1c(F)ccc2c1[C@@H](C)NCC2 75711681 573676411 /nfs/dbraw/zinc/67/64/11/573676411.db2.gz YDSRNVAQZVRCIT-MRVPVSSYSA-N 0 3 179.238 2.341 10 0 AEAEHN C[C@H]1CCC(=C2CNC2)C[C@@H]1C 86882243 573676546 /nfs/dbraw/zinc/67/65/46/573676546.db2.gz GFKFMZXMBKDOOE-IUCAKERBSA-N 0 3 165.280 2.342 10 0 AEAEHN Cc1cc2c(cc1F)CCN[C@H]2C 75708551 573676606 /nfs/dbraw/zinc/67/66/06/573676606.db2.gz DNINHUPSKLNWDH-QMMMGPOBSA-N 0 3 179.238 2.341 10 0 AEAEHN Cc1cc2c(cc1F)[C@@H](C)NCC2 75711685 573676624 /nfs/dbraw/zinc/67/66/24/573676624.db2.gz OQMVAQCCVWFJQU-MRVPVSSYSA-N 0 3 179.238 2.341 10 0 AEAEHN CCC1CCC(=C2CNC2)CC1 86882252 573676640 /nfs/dbraw/zinc/67/66/40/573676640.db2.gz DVENLMQNULFZSP-UHFFFAOYSA-N 0 3 165.280 2.486 10 0 AEAEHN CNC[C@H](F)c1ccc(C)s1 257846446 573676746 /nfs/dbraw/zinc/67/67/46/573676746.db2.gz QFMSNWQEHRVELD-ZETCQYMHSA-N 0 3 173.256 2.287 10 0 AEAEHN Clc1cccc(C=C2CNC2)c1 86882008 573677022 /nfs/dbraw/zinc/67/70/22/573677022.db2.gz MUSKIBYGEKPEEG-UHFFFAOYSA-N 0 3 179.650 2.327 10 0 AEAEHN Fc1cccc(Cl)c1C=C1CNC1 86881950 573677214 /nfs/dbraw/zinc/67/72/14/573677214.db2.gz WDRZLEZSFYECDG-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN CC1CCC(=C2CNC2)CC1 86882188 573677276 /nfs/dbraw/zinc/67/72/76/573677276.db2.gz TZFDLRKLWMPEIF-UHFFFAOYSA-N 0 3 151.253 2.096 10 0 AEAEHN Cc1ccc2c(c1F)[C@@H](C)NCC2 75708545 573677316 /nfs/dbraw/zinc/67/73/16/573677316.db2.gz DJBOTCXSYWLMIO-MRVPVSSYSA-N 0 3 179.238 2.341 10 0 AEAEHN Cc1cc(C)cc(C=C2CNC2)c1 86882230 573677431 /nfs/dbraw/zinc/67/74/31/573677431.db2.gz ONDYUJTYWYFLMY-UHFFFAOYSA-N 0 3 173.259 2.290 10 0 AEAEHN CCc1ccc(C=C2CNC2)s1 86881973 573677575 /nfs/dbraw/zinc/67/75/75/573677575.db2.gz HGNBMKOLDBFKBR-UHFFFAOYSA-N 0 3 179.288 2.297 10 0 AEAEHN C[C@@H]1CCCC(=C2CNC2)C1 86881934 573677686 /nfs/dbraw/zinc/67/76/86/573677686.db2.gz TUFVMBAREYOFCX-MRVPVSSYSA-N 0 3 151.253 2.096 10 0 AEAEHN c1cc2c(c(OC3CCC3)c1)CNC2 258090706 573677827 /nfs/dbraw/zinc/67/78/27/573677827.db2.gz RMUFDKUQIOMETP-UHFFFAOYSA-N 0 3 189.258 2.221 10 0 AEAEHN CC(=O)[C@H]1CCCCN1CC1CCC1 83839054 573677846 /nfs/dbraw/zinc/67/78/46/573677846.db2.gz AFKPDWWHKVHDNJ-GFCCVEGCSA-N 0 3 195.306 2.230 10 0 AEAEHN Cc1ccc([C@H](C)C[NH3+])c(Cl)c1[O-] 258089647 573677874 /nfs/dbraw/zinc/67/78/74/573677874.db2.gz JLXOPOZGQWBHTR-SSDOTTSWSA-N 0 3 199.681 2.416 10 0 AEAEHN C[C@H]1CC(=C2CNC2)CC[C@H]1C 86882240 573678129 /nfs/dbraw/zinc/67/81/29/573678129.db2.gz GFKFMZXMBKDOOE-BDAKNGLRSA-N 0 3 165.280 2.342 10 0 AEAEHN CNC[C@@H](F)c1ccc(C)s1 257846445 573678444 /nfs/dbraw/zinc/67/84/44/573678444.db2.gz QFMSNWQEHRVELD-SSDOTTSWSA-N 0 3 173.256 2.287 10 0 AEAEHN CN(C)Cc1coc2cccc(N)c12 258875861 573680068 /nfs/dbraw/zinc/68/00/68/573680068.db2.gz UCHKDNLIYZDIGS-UHFFFAOYSA-N 0 3 190.246 2.077 10 0 AEAEHN CCNCc1cc2ccc(N)cc2o1 258091827 573681118 /nfs/dbraw/zinc/68/11/18/573681118.db2.gz RGNAXYHOPYLZTR-UHFFFAOYSA-N 0 3 190.246 2.125 10 0 AEAEHN CCOc1ccc(F)c([C@@H](C)N)c1 107996660 573681225 /nfs/dbraw/zinc/68/12/25/573681225.db2.gz DAMFUKIJUAHGOS-SSDOTTSWSA-N 0 3 183.226 2.244 10 0 AEAEHN N[C@H](CC1CCC1)c1ccoc1 83841477 573683437 /nfs/dbraw/zinc/68/34/37/573683437.db2.gz GEWBLUTXMLEVMB-SNVBAGLBSA-N 0 3 165.236 2.470 10 0 AEAEHN N[C@@H](CC1CCC1)c1ccoc1 83841478 573683502 /nfs/dbraw/zinc/68/35/02/573683502.db2.gz GEWBLUTXMLEVMB-JTQLQIEISA-N 0 3 165.236 2.470 10 0 AEAEHN CN[C@@H](C)c1ccc(SC)nc1 124873391 573683546 /nfs/dbraw/zinc/68/35/46/573683546.db2.gz RQASVGPMNQFXAT-ZETCQYMHSA-N 0 3 182.292 2.084 10 0 AEAEHN Cc1nc(C2(N)CC2)cc2ccccc12 214946332 573684307 /nfs/dbraw/zinc/68/43/07/573684307.db2.gz IDKSBHUSRZSBMY-UHFFFAOYSA-N 0 3 198.269 2.491 10 0 AEAEHN C[C@H](NCC(C)(C)C)c1cncnc1 308671265 573684334 /nfs/dbraw/zinc/68/43/34/573684334.db2.gz VEESCBGMOOWNIS-VIFPVBQESA-N 0 3 193.294 2.173 10 0 AEAEHN Cc1ccc(F)c2c1CCN[C@H]2C 75736057 573684460 /nfs/dbraw/zinc/68/44/60/573684460.db2.gz JWNCACGNJWTXBN-QMMMGPOBSA-N 0 3 179.238 2.341 10 0 AEAEHN N[C@H](CC1CCC1)c1ccco1 83841356 573687145 /nfs/dbraw/zinc/68/71/45/573687145.db2.gz LMXQOAOIKLVARG-SECBINFHSA-N 0 3 165.236 2.470 10 0 AEAEHN CC[C@H](CO)[C@H](N)c1sccc1C 259159762 573685157 /nfs/dbraw/zinc/68/51/57/573685157.db2.gz BWENPDKXBSSPFT-BDAKNGLRSA-N 0 3 199.319 2.075 10 0 AEAEHN C[C@H]1NC[C@]1(Cl)c1ccccc1 238479199 573687007 /nfs/dbraw/zinc/68/70/07/573687007.db2.gz AFGJHDONLUTIOD-PSASIEDQSA-N 0 3 181.666 2.112 10 0 AEAEHN Cc1nc([C@H](C)N[C@@H](C)C2CC2)co1 308677052 573688107 /nfs/dbraw/zinc/68/81/07/573688107.db2.gz WNSTYYMOWXDAGY-YUMQZZPRSA-N 0 3 194.278 2.432 10 0 AEAEHN C[C@H]1CN[C@H](C(C)(C)C)C1(F)F 238478944 573688173 /nfs/dbraw/zinc/68/81/73/573688173.db2.gz DIJIWHNEQWODHD-NKWVEPMBSA-N 0 3 177.238 2.276 10 0 AEAEHN CC[C@@H](C)C(=O)CN(C)CCC1CC1 308677001 573688176 /nfs/dbraw/zinc/68/81/76/573688176.db2.gz WLVUQZZNKYZAIF-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H](C)Oc1nc(C)ccc1CN 43396471 573688283 /nfs/dbraw/zinc/68/82/83/573688283.db2.gz ZIELIMBMOXRMFD-SECBINFHSA-N 0 3 194.278 2.026 10 0 AEAEHN CC[C@@H](CO)[C@H](N)c1sccc1C 259159768 573688377 /nfs/dbraw/zinc/68/83/77/573688377.db2.gz BWENPDKXBSSPFT-IUCAKERBSA-N 0 3 199.319 2.075 10 0 AEAEHN C=Cc1cccc2c1CN[C@@H]2C 238479318 573688503 /nfs/dbraw/zinc/68/85/03/573688503.db2.gz GFZSHJFPMOMPFR-MRVPVSSYSA-N 0 3 159.232 2.494 10 0 AEAEHN Cc1ccc2c(c1F)CCN[C@H]2C 75749124 573688510 /nfs/dbraw/zinc/68/85/10/573688510.db2.gz KITHHDBTMCNASQ-QMMMGPOBSA-N 0 3 179.238 2.341 10 0 AEAEHN CC[C@@H](CO)[C@@H](N)c1sccc1C 259159765 573688512 /nfs/dbraw/zinc/68/85/12/573688512.db2.gz BWENPDKXBSSPFT-DTWKUNHWSA-N 0 3 199.319 2.075 10 0 AEAEHN CC[C@H](C)Oc1nc(C)ccc1CN 43396472 573688831 /nfs/dbraw/zinc/68/88/31/573688831.db2.gz ZIELIMBMOXRMFD-VIFPVBQESA-N 0 3 194.278 2.026 10 0 AEAEHN Cc1nc([C@@H](C)N[C@H](C)C2CC2)co1 308677049 573688935 /nfs/dbraw/zinc/68/89/35/573688935.db2.gz WNSTYYMOWXDAGY-HTQZYQBOSA-N 0 3 194.278 2.432 10 0 AEAEHN Cc1nc([C@@H](C)N[C@@H](C)C2CC2)co1 308677050 573689082 /nfs/dbraw/zinc/68/90/82/573689082.db2.gz WNSTYYMOWXDAGY-JGVFFNPUSA-N 0 3 194.278 2.432 10 0 AEAEHN C[C@@H]1NCCc2c(Cl)cc(O)cc21 75752655 573689376 /nfs/dbraw/zinc/68/93/76/573689376.db2.gz KEXIQKHEUBODFV-LURJTMIESA-N 0 3 197.665 2.252 10 0 AEAEHN CC[C@H](C)C(=O)CN(C)CCC1CC1 308677000 573689396 /nfs/dbraw/zinc/68/93/96/573689396.db2.gz WLVUQZZNKYZAIF-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCCCOc1nc(C)ccc1CN 43396396 573689810 /nfs/dbraw/zinc/68/98/10/573689810.db2.gz WBZSKILWWVVCSB-UHFFFAOYSA-N 0 3 194.278 2.028 10 0 AEAEHN Cc1nc([C@H](C)N[C@H](C)C2CC2)co1 308677051 573689991 /nfs/dbraw/zinc/68/99/91/573689991.db2.gz WNSTYYMOWXDAGY-SFYZADRCSA-N 0 3 194.278 2.432 10 0 AEAEHN C[C@H]1NCCc2c(Cl)cc(O)cc21 75752653 573690073 /nfs/dbraw/zinc/69/00/73/573690073.db2.gz KEXIQKHEUBODFV-ZCFIWIBFSA-N 0 3 197.665 2.252 10 0 AEAEHN CC[C@@](C)(C(C)=O)N(C)CCC1CC1 308674674 573690436 /nfs/dbraw/zinc/69/04/36/573690436.db2.gz VVGJYYXMECPCGL-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCc1cc([C@H](C)NC)nn1CC 257851111 573691383 /nfs/dbraw/zinc/69/13/83/573691383.db2.gz OWQILZJRAYUKGE-VIFPVBQESA-N 0 3 195.310 2.136 10 0 AEAEHN c1coc(CNC[C@@H]2C[C@@H]2C2CC2)c1 308675995 573691483 /nfs/dbraw/zinc/69/14/83/573691483.db2.gz WEZYVYXEPYNCDT-CMPLNLGQSA-N 0 3 191.274 2.415 10 0 AEAEHN C=Cc1cccc2c1[C@@H](C)NC2 238480000 573691673 /nfs/dbraw/zinc/69/16/73/573691673.db2.gz PNCFXHSUWMBXGG-MRVPVSSYSA-N 0 3 159.232 2.494 10 0 AEAEHN CCc1nc([C@@H]2CCN(C)C2)cs1 259164577 573692925 /nfs/dbraw/zinc/69/29/25/573692925.db2.gz FUFXVOAWPGKVTH-MRVPVSSYSA-N 0 3 196.319 2.125 10 0 AEAEHN C=Cc1ccc2c(c1)[C@@H](C)NC2 238479824 573692618 /nfs/dbraw/zinc/69/26/18/573692618.db2.gz KOXOGJVDDQEMOJ-MRVPVSSYSA-N 0 3 159.232 2.494 10 0 AEAEHN CCc1nc([C@H]2CCN(C)C2)cs1 259164579 573692686 /nfs/dbraw/zinc/69/26/86/573692686.db2.gz FUFXVOAWPGKVTH-QMMMGPOBSA-N 0 3 196.319 2.125 10 0 AEAEHN C[C@H](O)CC(C)(C)CN1CC(C)(C)C1 393550406 573694376 /nfs/dbraw/zinc/69/43/76/573694376.db2.gz PYPJTTLTXOIWKJ-JTQLQIEISA-N 0 3 199.338 2.125 10 0 AEAEHN CCCc1cc([C@@H](C)NC)nn1CC 257851108 573693988 /nfs/dbraw/zinc/69/39/88/573693988.db2.gz OWQILZJRAYUKGE-SECBINFHSA-N 0 3 195.310 2.136 10 0 AEAEHN CC[C@@H](F)CN1CC[C@H](C(F)F)C1 308419104 573694180 /nfs/dbraw/zinc/69/41/80/573694180.db2.gz OCJMRNXLZSSRAV-JGVFFNPUSA-N 0 3 195.228 2.322 10 0 AEAEHN CC[C@H](F)CN1CC[C@@H](C(F)F)C1 308419105 573694225 /nfs/dbraw/zinc/69/42/25/573694225.db2.gz OCJMRNXLZSSRAV-SFYZADRCSA-N 0 3 195.228 2.322 10 0 AEAEHN Clc1cccc(N[C@H]2CCCN2)c1 257851212 573694338 /nfs/dbraw/zinc/69/43/38/573694338.db2.gz OYCPKUGLQKXDQA-JTQLQIEISA-N 0 3 196.681 2.461 10 0 AEAEHN C[C@H]1CC(C)(C)NC2(CCCCC2)N1 238481137 573694356 /nfs/dbraw/zinc/69/43/56/573694356.db2.gz KBRJKGFAJWSAEU-JTQLQIEISA-N 0 3 196.338 2.397 10 0 AEAEHN C1CCC2(C1)CC(=C1CNC1)CCO2 86918427 573695379 /nfs/dbraw/zinc/69/53/79/573695379.db2.gz IFXSETPWNXXZSO-UHFFFAOYSA-N 0 3 193.290 2.009 10 0 AEAEHN CSc1ccc(CN)c(F)c1F 258088061 573695734 /nfs/dbraw/zinc/69/57/34/573695734.db2.gz NTEVUEYXCDCEMK-UHFFFAOYSA-N 0 3 189.230 2.145 10 0 AEAEHN Cc1ccc(C[C@@H](C)[NH3+])c(Cl)c1[O-] 258087007 573695951 /nfs/dbraw/zinc/69/59/51/573695951.db2.gz JHIPWLAGWIEDHM-SSDOTTSWSA-N 0 3 199.681 2.244 10 0 AEAEHN CN[C@H](C)c1onc2ccc(C)cc12 257848064 573700797 /nfs/dbraw/zinc/70/07/97/573700797.db2.gz OCZJLVOHNRKAAO-MRVPVSSYSA-N 0 3 190.246 2.417 10 0 AEAEHN C[C@@H](c1ccccc1)[C@@H]1NCCCO1 238482151 573700857 /nfs/dbraw/zinc/70/08/57/573700857.db2.gz LGVNIXNMKVVHJG-CMPLNLGQSA-N 0 3 191.274 2.126 10 0 AEAEHN Cc1cc(CN)c(C(F)F)nc1C 238482625 573699283 /nfs/dbraw/zinc/69/92/83/573699283.db2.gz SNUKSPAXNXXYSD-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CNC[C@](C)(F)c1ccccc1C 257848430 573699378 /nfs/dbraw/zinc/69/93/78/573699378.db2.gz QYSZWJCQMPUSLM-NSHDSACASA-N 0 3 181.254 2.399 10 0 AEAEHN CC[C@H](C)N1CCC(=O)C(C)(C)C1 259166242 573699435 /nfs/dbraw/zinc/69/94/35/573699435.db2.gz GKGWIULZXHOYCZ-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN C/C=C/CNCc1sc(C)nc1C 308425288 573699454 /nfs/dbraw/zinc/69/94/54/573699454.db2.gz WFBIAPMEKXJMMI-SNAWJCMRSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc(CN)c(C(F)F)c(C)n1 238482329 573699506 /nfs/dbraw/zinc/69/95/06/573699506.db2.gz HGNXCWODUGIJOC-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN Cc1cc(CN)c(C)nc1C(F)F 238483034 573699743 /nfs/dbraw/zinc/69/97/43/573699743.db2.gz NAIAZGJXOLHVBI-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CN[C@@H](C)[C@H](F)Cc1cccc(C)c1 257848984 573699894 /nfs/dbraw/zinc/69/98/94/573699894.db2.gz OILWSURJMLSUCR-CMPLNLGQSA-N 0 3 195.281 2.484 10 0 AEAEHN CC1(C)CSC(NCCC2CC2)=N1 83911727 573700233 /nfs/dbraw/zinc/70/02/33/573700233.db2.gz SPQAMTXAGFYZCU-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN CN[C@H](C)[C@H](F)Cc1cccc(C)c1 257848987 573700309 /nfs/dbraw/zinc/70/03/09/573700309.db2.gz OILWSURJMLSUCR-ZYHUDNBSSA-N 0 3 195.281 2.484 10 0 AEAEHN CN[C@@H](C)c1onc2ccc(C)cc12 257848066 573700324 /nfs/dbraw/zinc/70/03/24/573700324.db2.gz OCZJLVOHNRKAAO-QMMMGPOBSA-N 0 3 190.246 2.417 10 0 AEAEHN CN[C@@H](O)c1cc(C(C)C)ccc1C 259166405 573700411 /nfs/dbraw/zinc/70/04/11/573700411.db2.gz DBPLKFLVVCOMRC-LBPRGKRZSA-N 0 3 193.290 2.329 10 0 AEAEHN CN[C@H](C)[C@@H](F)Cc1cccc(C)c1 257848986 573700593 /nfs/dbraw/zinc/70/05/93/573700593.db2.gz OILWSURJMLSUCR-PWSUYJOCSA-N 0 3 195.281 2.484 10 0 AEAEHN C/C=C\CNCc1sc(C)nc1C 308425287 573701141 /nfs/dbraw/zinc/70/11/41/573701141.db2.gz WFBIAPMEKXJMMI-PLNGDYQASA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc(N)n1C1CCCCC1 238482588 573701269 /nfs/dbraw/zinc/70/12/69/573701269.db2.gz FYWHIENTYKGHCV-UHFFFAOYSA-N 0 3 179.267 2.279 10 0 AEAEHN Cc1cc(O)ccc1C1=NCCC1 238482109 573701833 /nfs/dbraw/zinc/70/18/33/573701833.db2.gz KLNPAGVAEMCZJS-UHFFFAOYSA-N 0 3 175.231 2.284 10 0 AEAEHN F[C@@H]1CCCN[C@@H]1Cc1ccccc1 258886718 573702298 /nfs/dbraw/zinc/70/22/98/573702298.db2.gz NOMLOBKKLRPTKH-VXGBXAGGSA-N 0 3 193.265 2.319 10 0 AEAEHN CSC(=N)C(C)(C)C 258511204 573702163 /nfs/dbraw/zinc/70/21/63/573702163.db2.gz BPEYGADPODDCND-UHFFFAOYSA-N 0 3 131.244 2.373 10 0 AEAEHN Cc1ccc(Cl)c2c1CNC2 238482645 573702281 /nfs/dbraw/zinc/70/22/81/573702281.db2.gz MHGQJMLLRWFMEX-UHFFFAOYSA-N 0 3 167.639 2.252 10 0 AEAEHN CCn1ncc([C@H](C)NC)c1C1CC1 257849708 573704519 /nfs/dbraw/zinc/70/45/19/573704519.db2.gz OLSWSGBTXYQQJH-QMMMGPOBSA-N 0 3 193.294 2.061 10 0 AEAEHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1cc[nH]n1 122146468 573704529 /nfs/dbraw/zinc/70/45/29/573704529.db2.gz JZNNSUUBEUKKAV-KXUCPTDWSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@H](N)c1c(F)c(F)cc(F)c1F 75845003 573704545 /nfs/dbraw/zinc/70/45/45/573704545.db2.gz KJVZCKIKNVBVAK-VKHMYHEASA-N 0 3 193.143 2.263 10 0 AEAEHN CN[C@@H](OC)c1c(C)cc(C)cc1C 259171898 573704599 /nfs/dbraw/zinc/70/45/99/573704599.db2.gz JHOPXWJPPSJUMR-LBPRGKRZSA-N 0 3 193.290 2.476 10 0 AEAEHN F[C@H]1CCCN[C@@H]1Cc1ccccc1 258886699 573704653 /nfs/dbraw/zinc/70/46/53/573704653.db2.gz NOMLOBKKLRPTKH-NWDGAFQWSA-N 0 3 193.265 2.319 10 0 AEAEHN CCO[C@@H]1C[C@H]1[C@H](N)c1cc(C)co1 716109659 573704725 /nfs/dbraw/zinc/70/47/25/573704725.db2.gz JSADSEUEBNXOHW-KKZNHRDASA-N 0 3 195.262 2.013 10 0 AEAEHN CN[C@H](OC)c1c(C)cc(C)cc1C 259171894 573704968 /nfs/dbraw/zinc/70/49/68/573704968.db2.gz JHOPXWJPPSJUMR-GFCCVEGCSA-N 0 3 193.290 2.476 10 0 AEAEHN CCn1ncc([C@@H](C)NC)c1C1CC1 257849706 573705732 /nfs/dbraw/zinc/70/57/32/573705732.db2.gz OLSWSGBTXYQQJH-MRVPVSSYSA-N 0 3 193.294 2.061 10 0 AEAEHN Cc1c(Cl)ccc(CN)c1F 75844815 573705524 /nfs/dbraw/zinc/70/55/24/573705524.db2.gz FKBAZMZAKJTIPH-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN CCCC(=O)CN1CC[C@H](C2CC2)C1 400043545 573707951 /nfs/dbraw/zinc/70/79/51/573707951.db2.gz OUOXYNGVTGYVTD-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN CCCCOCCN1[C@@H](C)C[C@H]1C 393553991 573707416 /nfs/dbraw/zinc/70/74/16/573707416.db2.gz LXTXKDDHJFYOFK-PHIMTYICSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCOCCN1[C@H](C)C[C@H]1C 393553989 573707560 /nfs/dbraw/zinc/70/75/60/573707560.db2.gz LXTXKDDHJFYOFK-GHMZBOCLSA-N 0 3 185.311 2.286 10 0 AEAEHN C[C@@H]1CC(C)(C)NC2(CCCCC2)N1 238477702 573707713 /nfs/dbraw/zinc/70/77/13/573707713.db2.gz KBRJKGFAJWSAEU-SNVBAGLBSA-N 0 3 196.338 2.397 10 0 AEAEHN CCCC(=O)CN1CC[C@@H](C2CC2)C1 400043544 573708396 /nfs/dbraw/zinc/70/83/96/573708396.db2.gz OUOXYNGVTGYVTD-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN Cc1ccc([C@@H](N)C(C)C)nc1 75854183 573708432 /nfs/dbraw/zinc/70/84/32/573708432.db2.gz JUGRISNZNBQNGP-JTQLQIEISA-N 0 3 164.252 2.046 10 0 AEAEHN CC(C)[C@H]([NH3+])c1ccc([O-])cc1F 75854058 573708472 /nfs/dbraw/zinc/70/84/72/573708472.db2.gz HWZRJUXMNNJJKH-JTQLQIEISA-N 0 3 183.226 2.187 10 0 AEAEHN CC[C@@H]1CNC[C@@H](C2(CC)CCC2)O1 686128884 573708554 /nfs/dbraw/zinc/70/85/54/573708554.db2.gz NFIOGFMBYUAQIU-MNOVXSKESA-N 0 3 197.322 2.334 10 0 AEAEHN NC[C@]1(F)CCCc2ccc(F)cc21 257850443 573708943 /nfs/dbraw/zinc/70/89/43/573708943.db2.gz ORMHVQJTGIHHHO-LLVKDONJSA-N 0 3 197.228 2.286 10 0 AEAEHN CCCCOCCN1[C@@H](C)C[C@@H]1C 393553994 573708958 /nfs/dbraw/zinc/70/89/58/573708958.db2.gz LXTXKDDHJFYOFK-QWRGUYRKSA-N 0 3 185.311 2.286 10 0 AEAEHN Cc1ccc(C=O)c(C2(N)CCC2)c1 258100982 573709121 /nfs/dbraw/zinc/70/91/21/573709121.db2.gz OUHGDHLSOSQAAG-UHFFFAOYSA-N 0 3 189.258 2.145 10 0 AEAEHN CSc1cccc([C@@H](F)CN)c1 257850301 573709460 /nfs/dbraw/zinc/70/94/60/573709460.db2.gz RLEBAZYGGRNSKK-VIFPVBQESA-N 0 3 185.267 2.378 10 0 AEAEHN CC(C)[C@H](N)c1ccnn1C(C)(C)C 75854386 573709623 /nfs/dbraw/zinc/70/96/23/573709623.db2.gz IFIIKZODKWCVCY-JTQLQIEISA-N 0 3 195.310 2.294 10 0 AEAEHN [NH3+]C/C=C/c1ccc([O-])c(C(F)F)c1 258094761 573710629 /nfs/dbraw/zinc/71/06/29/573710629.db2.gz JZGHKEKIAOBCHR-OWOJBTEDSA-N 0 3 199.200 2.302 10 0 AEAEHN C[C@H](N)c1cc(C2CCCC2)n(C)n1 257850419 573709884 /nfs/dbraw/zinc/70/98/84/573709884.db2.gz OQBFESIPBBGFFT-QMMMGPOBSA-N 0 3 193.294 2.097 10 0 AEAEHN C[C@@H](N)c1coc(C2CCCC2)n1 258101879 573710228 /nfs/dbraw/zinc/71/02/28/573710228.db2.gz NOSRSDIWLNYOSC-SSDOTTSWSA-N 0 3 180.251 2.352 10 0 AEAEHN C[C@@H](N)c1ccc2cc[nH]c2c1F 258102001 573710647 /nfs/dbraw/zinc/71/06/47/573710647.db2.gz XWEUMMQPIKUWKP-ZCFIWIBFSA-N 0 3 178.210 2.327 10 0 AEAEHN NCc1cc(C2CCC2)cnc1Cl 257854113 573710652 /nfs/dbraw/zinc/71/06/52/573710652.db2.gz POBNWRCJWKPGSM-UHFFFAOYSA-N 0 3 196.681 2.461 10 0 AEAEHN CSc1cccc([C@H](F)CN)c1 257850299 573710354 /nfs/dbraw/zinc/71/03/54/573710354.db2.gz RLEBAZYGGRNSKK-SECBINFHSA-N 0 3 185.267 2.378 10 0 AEAEHN CC[C@H]1CNC[C@@H](C2(CC)CCC2)O1 686128885 573710413 /nfs/dbraw/zinc/71/04/13/573710413.db2.gz NFIOGFMBYUAQIU-QWRGUYRKSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H]1CNC[C@H](C2(CC)CCC2)O1 686128883 573710490 /nfs/dbraw/zinc/71/04/90/573710490.db2.gz NFIOGFMBYUAQIU-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN C1CCC23NCCCC2(C1)CCCN3 238012692 573710545 /nfs/dbraw/zinc/71/05/45/573710545.db2.gz MMOLETKRCGPYGD-UHFFFAOYSA-N 0 3 194.322 2.010 10 0 AEAEHN Cc1ccc([C@H](N)C(C)C)nc1 75854182 573712480 /nfs/dbraw/zinc/71/24/80/573712480.db2.gz JUGRISNZNBQNGP-SNVBAGLBSA-N 0 3 164.252 2.046 10 0 AEAEHN NC[C@@]1(F)CCCc2ccc(F)cc21 257850460 573712512 /nfs/dbraw/zinc/71/25/12/573712512.db2.gz ORMHVQJTGIHHHO-NSHDSACASA-N 0 3 197.228 2.286 10 0 AEAEHN C[C@H](N)c1coc(C2CCCC2)n1 258101882 573712568 /nfs/dbraw/zinc/71/25/68/573712568.db2.gz NOSRSDIWLNYOSC-ZETCQYMHSA-N 0 3 180.251 2.352 10 0 AEAEHN Cc1ccccc1C1C=CC(=O)O1 83963673 573712720 /nfs/dbraw/zinc/71/27/20/573712720.db2.gz HMHPJHCHMWPKJC-SNVBAGLBSA-N 0 3 174.199 2.149 10 0 AEAEHN Cc1cccc(C2C=CC(=O)O2)c1 83963674 573712997 /nfs/dbraw/zinc/71/29/97/573712997.db2.gz ALLCAERXDVOCEW-JTQLQIEISA-N 0 3 174.199 2.149 10 0 AEAEHN Cc1cccc(C[C@H](F)C2(N)CC2)c1 257855070 573715637 /nfs/dbraw/zinc/71/56/37/573715637.db2.gz PUGOSSCBPUQTMY-NSHDSACASA-N 0 3 193.265 2.367 10 0 AEAEHN CCC[C@H]1CC(=O)CCN1C(C)C 83964935 573715722 /nfs/dbraw/zinc/71/57/22/573715722.db2.gz SXFORQYHLYCNJD-JTQLQIEISA-N 0 3 183.295 2.228 10 0 AEAEHN C[C@H](N)c1nccc2cc(F)ccc12 108268190 573715939 /nfs/dbraw/zinc/71/59/39/573715939.db2.gz UIHSTAYSLPGOBB-ZETCQYMHSA-N 0 3 190.221 2.394 10 0 AEAEHN [NH3+]Cc1cc([O-])c2cccc(F)c2c1 108268384 573715975 /nfs/dbraw/zinc/71/59/75/573715975.db2.gz GCPSYGIUZHPXAA-UHFFFAOYSA-N 0 3 191.205 2.143 10 0 AEAEHN CCn1c(CN)cc2cccc(F)c21 257854212 573716368 /nfs/dbraw/zinc/71/63/68/573716368.db2.gz CURVJLYZTPZUHM-UHFFFAOYSA-N 0 3 192.237 2.259 10 0 AEAEHN CNCc1oc(C2CCCC2)nc1C 108269403 573716623 /nfs/dbraw/zinc/71/66/23/573716623.db2.gz UXAWWYKEVZRIPB-UHFFFAOYSA-N 0 3 194.278 2.360 10 0 AEAEHN C1=C[C@]2(c3ccccc3)C[C@@H]2CN1 238039747 573716819 /nfs/dbraw/zinc/71/68/19/573716819.db2.gz ZANFKXUJBCTRDP-VXGBXAGGSA-N 0 3 171.243 2.061 10 0 AEAEHN C1=C[C@@]2(c3ccccc3)C[C@H]2CN1 238039653 573716882 /nfs/dbraw/zinc/71/68/82/573716882.db2.gz ZANFKXUJBCTRDP-RYUDHWBXSA-N 0 3 171.243 2.061 10 0 AEAEHN Cc1ccc2c(c1Cl)CNC2 238494048 573716936 /nfs/dbraw/zinc/71/69/36/573716936.db2.gz WFCRCPGZVUOGSU-UHFFFAOYSA-N 0 3 167.639 2.252 10 0 AEAEHN Cc1ccc(C2C=CC(=O)O2)cc1 83963670 573717598 /nfs/dbraw/zinc/71/75/98/573717598.db2.gz WEAIAFJXJGBKNP-JTQLQIEISA-N 0 3 174.199 2.149 10 0 AEAEHN c1csc(CC[C@@H]2NCCS2)c1 238029834 573718531 /nfs/dbraw/zinc/71/85/31/573718531.db2.gz AWGJNROAEANQCS-SECBINFHSA-N 0 3 199.344 2.343 10 0 AEAEHN c1csc(CC[C@H]2NCCS2)c1 238029711 573719827 /nfs/dbraw/zinc/71/98/27/573719827.db2.gz AWGJNROAEANQCS-VIFPVBQESA-N 0 3 199.344 2.343 10 0 AEAEHN C[C@H](N)c1nn(C)cc1C1CCCC1 257856091 573719963 /nfs/dbraw/zinc/71/99/63/573719963.db2.gz TYNNCPZVODLGPO-QMMMGPOBSA-N 0 3 193.294 2.097 10 0 AEAEHN CCCC1(C2=NO[C@@H](CN)C2)CCC1 686124529 573720168 /nfs/dbraw/zinc/72/01/68/573720168.db2.gz ACHBHTVUQGFION-SECBINFHSA-N 0 3 196.294 2.060 10 0 AEAEHN CC(C)n1ccnc1[C@H]1CCCCN1 75869240 573720202 /nfs/dbraw/zinc/72/02/02/573720202.db2.gz ZORSCZOJNJFOBG-SNVBAGLBSA-N 0 3 193.294 2.279 10 0 AEAEHN CNC[C@@H](F)c1ccccc1C 257856241 573720753 /nfs/dbraw/zinc/72/07/53/573720753.db2.gz UEAZRZZYPSZCQJ-SNVBAGLBSA-N 0 3 167.227 2.225 10 0 AEAEHN CCc1c([C@H](C)NC)cnn1C(C)C 257856866 573721826 /nfs/dbraw/zinc/72/18/26/573721826.db2.gz QCIAGBNOIYPLFA-VIFPVBQESA-N 0 3 195.310 2.307 10 0 AEAEHN CC(C)n1nccc1[C@H]1CCCCN1 75869332 573721943 /nfs/dbraw/zinc/72/19/43/573721943.db2.gz WZEONIYGCANGMV-SNVBAGLBSA-N 0 3 193.294 2.279 10 0 AEAEHN O=C(CC1CCCCCC1)[C@H]1CCN1 257856812 573721985 /nfs/dbraw/zinc/72/19/85/573721985.db2.gz QBCRBCXFPWRRGU-LLVKDONJSA-N 0 3 195.306 2.278 10 0 AEAEHN Cc1cc2c(c(F)c1F)[C@@H](N)CCO2 238485578 573722098 /nfs/dbraw/zinc/72/20/98/573722098.db2.gz ACUGDMLZWJINBG-LURJTMIESA-N 0 3 199.200 2.056 10 0 AEAEHN CC(C)n1nccc1[C@@H]1CCCCN1 75869331 573722277 /nfs/dbraw/zinc/72/22/77/573722277.db2.gz WZEONIYGCANGMV-JTQLQIEISA-N 0 3 193.294 2.279 10 0 AEAEHN Cc1ccc(F)c2c(CN)coc12 75882402 573722481 /nfs/dbraw/zinc/72/24/81/573722481.db2.gz PCPDJMCOSSHBJR-UHFFFAOYSA-N 0 3 179.194 2.339 10 0 AEAEHN CCCC1(C2=NO[C@H](CN)C2)CCC1 686124530 573722490 /nfs/dbraw/zinc/72/24/90/573722490.db2.gz ACHBHTVUQGFION-VIFPVBQESA-N 0 3 196.294 2.060 10 0 AEAEHN Cc1ccsc1[C@@H](F)CN 108284553 573723313 /nfs/dbraw/zinc/72/33/13/573723313.db2.gz LOXZYDUMDGQFGE-LURJTMIESA-N 0 3 159.229 2.026 10 0 AEAEHN CN[C@@H](C)c1cc(C)n(C(C)(C)C)n1 257857669 573724252 /nfs/dbraw/zinc/72/42/52/573724252.db2.gz QGLCUGLBBMTSFR-VIFPVBQESA-N 0 3 195.310 2.227 10 0 AEAEHN Cc1ccc([C@@H](F)CN)s1 108284549 573724387 /nfs/dbraw/zinc/72/43/87/573724387.db2.gz WNOQARWXWSYDNF-LURJTMIESA-N 0 3 159.229 2.026 10 0 AEAEHN CCn1nc([C@@H](C)NC)cc1C(C)C 257858443 573724556 /nfs/dbraw/zinc/72/45/56/573724556.db2.gz QKQOIVBDLSOIHX-SECBINFHSA-N 0 3 195.310 2.307 10 0 AEAEHN CCc1cc(CN(C)C)ccc1O 142955831 573724564 /nfs/dbraw/zinc/72/45/64/573724564.db2.gz NBPDAFSEHIDOKF-UHFFFAOYSA-N 0 3 179.263 2.016 10 0 AEAEHN C[C@@](F)(CN)C1CCCCC1 108284638 573724652 /nfs/dbraw/zinc/72/46/52/573724652.db2.gz PIPLSTFDQBIQSF-SECBINFHSA-N 0 3 159.248 2.254 10 0 AEAEHN NC[C@](F)(CC1CCC1)C(F)(F)F 258105841 573724753 /nfs/dbraw/zinc/72/47/53/573724753.db2.gz OIEBXDXCHIJLIL-SSDOTTSWSA-N 0 3 199.191 2.406 10 0 AEAEHN CN[C@H](C)c1cc(C)n(C(C)(C)C)n1 257857667 573725944 /nfs/dbraw/zinc/72/59/44/573725944.db2.gz QGLCUGLBBMTSFR-SECBINFHSA-N 0 3 195.310 2.227 10 0 AEAEHN COC[C@H](N)c1coc2ccccc12 83967211 573726070 /nfs/dbraw/zinc/72/60/70/573726070.db2.gz ROKFUYVBEJYVEH-JTQLQIEISA-N 0 3 191.230 2.079 10 0 AEAEHN CCn1nc([C@H](C)N)cc1C1CCC1 257857690 573726180 /nfs/dbraw/zinc/72/61/80/573726180.db2.gz QGTQFVMMMZTBPO-QMMMGPOBSA-N 0 3 193.294 2.190 10 0 AEAEHN Cc1ccsc1[C@H](F)CN 108284551 573726354 /nfs/dbraw/zinc/72/63/54/573726354.db2.gz LOXZYDUMDGQFGE-ZCFIWIBFSA-N 0 3 159.229 2.026 10 0 AEAEHN COC[C@@H](N)c1coc2ccccc12 83967214 573726371 /nfs/dbraw/zinc/72/63/71/573726371.db2.gz ROKFUYVBEJYVEH-SNVBAGLBSA-N 0 3 191.230 2.079 10 0 AEAEHN C[C@H](N)c1oncc1-c1ccccc1 257857264 573726414 /nfs/dbraw/zinc/72/64/14/573726414.db2.gz UICPXNOELREFIV-QMMMGPOBSA-N 0 3 188.230 2.361 10 0 AEAEHN Cc1ccc([C@H](F)CN)s1 108284546 573726460 /nfs/dbraw/zinc/72/64/60/573726460.db2.gz WNOQARWXWSYDNF-ZCFIWIBFSA-N 0 3 159.229 2.026 10 0 AEAEHN CCn1nc([C@H](C)NC)cc1C(C)C 257858446 573726923 /nfs/dbraw/zinc/72/69/23/573726923.db2.gz QKQOIVBDLSOIHX-VIFPVBQESA-N 0 3 195.310 2.307 10 0 AEAEHN CSc1c([O-])cccc1C(C)(C)[NH3+] 258108685 573727158 /nfs/dbraw/zinc/72/71/58/573727158.db2.gz PKQHJRRYDFROFV-UHFFFAOYSA-N 0 3 197.303 2.308 10 0 AEAEHN C[C@@H](F)[C@](C)(N)c1ccccc1 144831161 573727172 /nfs/dbraw/zinc/72/71/72/573727172.db2.gz FXTXKAANZDYGGR-SCZZXKLOSA-N 0 3 167.227 2.219 10 0 AEAEHN Cc1ccc(C)c([C@H](F)CN)c1 108286794 573727587 /nfs/dbraw/zinc/72/75/87/573727587.db2.gz GFPLTGAXBLNPSC-SNVBAGLBSA-N 0 3 167.227 2.273 10 0 AEAEHN Cc1ccc([C@H](F)CN)c(C)c1 108286787 573727611 /nfs/dbraw/zinc/72/76/11/573727611.db2.gz OWRVEZZUFTUOQW-SNVBAGLBSA-N 0 3 167.227 2.273 10 0 AEAEHN Cc1cc(C)c([C@H]2CCNC[C@H]2F)[nH]1 238488090 573730246 /nfs/dbraw/zinc/73/02/46/573730246.db2.gz SJJIUUPOZZRLSF-VHSXEESVSA-N 0 3 196.269 2.047 10 0 AEAEHN Fc1cccc(C23CC(CCN2)C3)c1 257851627 573728630 /nfs/dbraw/zinc/72/86/30/573728630.db2.gz BGNVFNOEOTZMTQ-UHFFFAOYSA-N 0 3 191.249 2.424 10 0 AEAEHN Cc1ccc(Cl)nc1C(C)(C)N 238488569 573728670 /nfs/dbraw/zinc/72/86/70/573728670.db2.gz SCRHRQRYOOCPHK-UHFFFAOYSA-N 0 3 184.670 2.237 10 0 AEAEHN Cc1ccc([C@@H](F)CN)c(C)c1 108286790 573728759 /nfs/dbraw/zinc/72/87/59/573728759.db2.gz OWRVEZZUFTUOQW-JTQLQIEISA-N 0 3 167.227 2.273 10 0 AEAEHN CC(C)(N)c1c(F)cc(F)cc1F 75903032 573728929 /nfs/dbraw/zinc/72/89/29/573728929.db2.gz JUJGQCKBEYETKO-UHFFFAOYSA-N 0 3 189.180 2.298 10 0 AEAEHN Cc1ccc(-c2onc(C)c2CN)o1 83982426 573729091 /nfs/dbraw/zinc/72/90/91/573729091.db2.gz SOAGRLSNRIGGDS-UHFFFAOYSA-N 0 3 192.218 2.010 10 0 AEAEHN Cc1cc(C)cc([C@@H](F)CN)c1 108286783 573729735 /nfs/dbraw/zinc/72/97/35/573729735.db2.gz YBVYKDRLKOKFEE-JTQLQIEISA-N 0 3 167.227 2.273 10 0 AEAEHN Cc1ccc(C)c([C@@H](F)CN)c1 108286798 573729414 /nfs/dbraw/zinc/72/94/14/573729414.db2.gz GFPLTGAXBLNPSC-JTQLQIEISA-N 0 3 167.227 2.273 10 0 AEAEHN Cc1cc(C)cc([C@H](F)CN)c1 108286780 573729947 /nfs/dbraw/zinc/72/99/47/573729947.db2.gz YBVYKDRLKOKFEE-SNVBAGLBSA-N 0 3 167.227 2.273 10 0 AEAEHN c1nn(C2CC2)cc1[C@@H]1CCCCN1 75905504 573732669 /nfs/dbraw/zinc/73/26/69/573732669.db2.gz OGBKWFNLWAUHQG-NSHDSACASA-N 0 3 191.278 2.033 10 0 AEAEHN CC(C)(N)c1c(F)ccc(F)c1F 75903033 573732786 /nfs/dbraw/zinc/73/27/86/573732786.db2.gz QNEARPRMJLJVOB-UHFFFAOYSA-N 0 3 189.180 2.298 10 0 AEAEHN Cc1ccc([C@](C)(F)CN)s1 108290448 573733190 /nfs/dbraw/zinc/73/31/90/573733190.db2.gz JDCKUPVSJMGIQZ-MRVPVSSYSA-N 0 3 173.256 2.200 10 0 AEAEHN C[C@]1(c2cccc(F)c2)C[C@@H](F)CN1 258109762 573733537 /nfs/dbraw/zinc/73/35/37/573733537.db2.gz OQMSXANRSRHDNW-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN CN[C@@H](C)c1cccc2c1OC[C@H]2C 258111482 573733631 /nfs/dbraw/zinc/73/36/31/573733631.db2.gz OPCHDYNEDQOFJB-BDAKNGLRSA-N 0 3 191.274 2.463 10 0 AEAEHN CN[C@@H](C)c1cccc2c1OC[C@@H]2C 258111492 573733822 /nfs/dbraw/zinc/73/38/22/573733822.db2.gz OPCHDYNEDQOFJB-IUCAKERBSA-N 0 3 191.274 2.463 10 0 AEAEHN Cc1cc([C@H](F)CN)ccc1F 108289338 573733906 /nfs/dbraw/zinc/73/39/06/573733906.db2.gz ALZJOQLGOUAPOO-SECBINFHSA-N 0 3 171.190 2.103 10 0 AEAEHN C[C@]1(c2cccc(F)c2)C[C@H](F)CN1 258109773 573734339 /nfs/dbraw/zinc/73/43/39/573734339.db2.gz OQMSXANRSRHDNW-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@H]1CN[C@H]1c1ccc(F)cc1F 259174040 573734592 /nfs/dbraw/zinc/73/45/92/573734592.db2.gz LTMJVHXMDPWOAT-QUBYGPBYSA-N 0 3 183.201 2.245 10 0 AEAEHN Cc1cc(Cl)cc(CN)c1F 75915296 573734726 /nfs/dbraw/zinc/73/47/26/573734726.db2.gz MPVMQPNVVOQSMS-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN NC[C@@H](F)c1ccccc1Cl 108290603 573734775 /nfs/dbraw/zinc/73/47/75/573734775.db2.gz JSZCKOYLINKHCP-MRVPVSSYSA-N 0 3 173.618 2.309 10 0 AEAEHN [NH3+]Cc1cc([O-])c2ccccc2c1 108290406 573735967 /nfs/dbraw/zinc/73/59/67/573735967.db2.gz YUZMREDJBRWJAY-UHFFFAOYSA-N 0 3 173.215 2.004 10 0 AEAEHN Cc1cc([C@@H](F)CN)ccc1F 108289340 573735752 /nfs/dbraw/zinc/73/57/52/573735752.db2.gz ALZJOQLGOUAPOO-VIFPVBQESA-N 0 3 171.190 2.103 10 0 AEAEHN c1cc2c(c(NC3CCC3)c1)CNC2 238053054 573737090 /nfs/dbraw/zinc/73/70/90/573737090.db2.gz UXRKLJQYOFRRFX-UHFFFAOYSA-N 0 3 188.274 2.254 10 0 AEAEHN C[C@@](F)(CN)C[C@@H]1CCCSC1 257859978 573737171 /nfs/dbraw/zinc/73/71/71/573737171.db2.gz QUFFUGMBPMBCII-IUCAKERBSA-N 0 3 191.315 2.207 10 0 AEAEHN Cc1cc(C(F)F)c(C)c(CN)n1 238499892 573738237 /nfs/dbraw/zinc/73/82/37/573738237.db2.gz UQEROUUXZSTFKU-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN Cc1ccc2c(c1)[C@](F)(CN)CC2 108292381 573737410 /nfs/dbraw/zinc/73/74/10/573737410.db2.gz ANYHVIWIFMUZER-LLVKDONJSA-N 0 3 179.238 2.065 10 0 AEAEHN CSc1c(F)cc(CN)cc1F 75928244 573737504 /nfs/dbraw/zinc/73/75/04/573737504.db2.gz XERIQXOCUZZHBA-UHFFFAOYSA-N 0 3 189.230 2.145 10 0 AEAEHN CC(C)(C)C[C@@H]([NH3+])c1ccc([O-])cn1 238072785 573737965 /nfs/dbraw/zinc/73/79/65/573737965.db2.gz LZUUDPLOKOFIRM-SECBINFHSA-N 0 3 194.278 2.223 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1ccc(O)cn1 238072785 573737973 /nfs/dbraw/zinc/73/79/73/573737973.db2.gz LZUUDPLOKOFIRM-SECBINFHSA-N 0 3 194.278 2.223 10 0 AEAEHN C[C@H]1C[C@@H](c2ccccc2)OCN1 143212420 573738102 /nfs/dbraw/zinc/73/81/02/573738102.db2.gz AIQMSPCVKFJUHN-ONGXEEELSA-N 0 3 177.247 2.084 10 0 AEAEHN CCc1cc(F)c(CNC)cc1C 143284120 573741001 /nfs/dbraw/zinc/74/10/01/573741001.db2.gz GDMCWVNLNLRRIM-UHFFFAOYSA-N 0 3 181.254 2.416 10 0 AEAEHN CCCCC[C@@H](NC)c1nccn1C 122429010 573739765 /nfs/dbraw/zinc/73/97/65/573739765.db2.gz TTWKXVYRRHBRIY-SNVBAGLBSA-N 0 3 195.310 2.261 10 0 AEAEHN NC[C@H](F)c1cccc2ccoc12 108292207 573739853 /nfs/dbraw/zinc/73/98/53/573739853.db2.gz PKBZCNAXYCVYKJ-VIFPVBQESA-N 0 3 179.194 2.402 10 0 AEAEHN NC[C@@H](F)c1cccc2ccoc12 108292204 573740337 /nfs/dbraw/zinc/74/03/37/573740337.db2.gz PKBZCNAXYCVYKJ-SECBINFHSA-N 0 3 179.194 2.402 10 0 AEAEHN Cc1ccc([C@@]2(N)CCCOC2)s1 84007416 573740577 /nfs/dbraw/zinc/74/05/77/573740577.db2.gz GRLOWFYJBOIPJM-SNVBAGLBSA-N 0 3 197.303 2.021 10 0 AEAEHN NC[C@H](F)c1ccc2c(c1)CCC2 108292377 573740611 /nfs/dbraw/zinc/74/06/11/573740611.db2.gz OIJIOOOATNCLCY-NSHDSACASA-N 0 3 179.238 2.145 10 0 AEAEHN CSC[C@@H](N)c1ccc(C)s1 84008385 573740633 /nfs/dbraw/zinc/74/06/33/573740633.db2.gz VXFUGEKDLDLHRW-SSDOTTSWSA-N 0 3 187.333 2.419 10 0 AEAEHN C[C@H]1C[C@@H](c2ccccc2)O[C@@H](C)N1 143212686 573741174 /nfs/dbraw/zinc/74/11/74/573741174.db2.gz AKRXOMAITHXIFT-NHCYSSNCSA-N 0 3 191.274 2.472 10 0 AEAEHN CCO[C@@H]1C[C@H]1NCc1cccs1 308428281 573741346 /nfs/dbraw/zinc/74/13/46/573741346.db2.gz SCWCVRVZRXSACT-NXEZZACHSA-N 0 3 197.303 2.015 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1cccc(=O)[nH]1 238073970 573741417 /nfs/dbraw/zinc/74/14/17/573741417.db2.gz XCFJFGTXBRKMAJ-MRVPVSSYSA-N 0 3 194.278 2.223 10 0 AEAEHN CCO[C@H]1C[C@@H]1NCc1cccs1 308428286 573741561 /nfs/dbraw/zinc/74/15/61/573741561.db2.gz SCWCVRVZRXSACT-UWVGGRQHSA-N 0 3 197.303 2.015 10 0 AEAEHN CCN(CC)[C@@H](C)c1coc(CN)c1 257859200 573741525 /nfs/dbraw/zinc/74/15/25/573741525.db2.gz QPNMRGFWQMYBGG-VIFPVBQESA-N 0 3 196.294 2.141 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1cccc(N)n1 238073805 573741576 /nfs/dbraw/zinc/74/15/76/573741576.db2.gz RHQBWWKRUPWEBO-MRVPVSSYSA-N 0 3 193.294 2.100 10 0 AEAEHN Cc1ccsc1[C@@]1(N)CCCOC1 87021137 573741583 /nfs/dbraw/zinc/74/15/83/573741583.db2.gz FXSXVLGCZRMFHQ-SNVBAGLBSA-N 0 3 197.303 2.021 10 0 AEAEHN CN[C@H]1c2ccc(C)cc2O[C@@H]1C 87016229 573741671 /nfs/dbraw/zinc/74/16/71/573741671.db2.gz QVVHPPJPGINCAP-LDYMZIIASA-N 0 3 177.247 2.036 10 0 AEAEHN CN[C@@H]1c2ccc(C)cc2O[C@@H]1C 87016225 573741719 /nfs/dbraw/zinc/74/17/19/573741719.db2.gz QVVHPPJPGINCAP-KCJUWKMLSA-N 0 3 177.247 2.036 10 0 AEAEHN CC[C@H]1Oc2cc(C)ccc2[C@H]1NC 87016244 573742398 /nfs/dbraw/zinc/74/23/98/573742398.db2.gz GCYXQFDKZBJECD-ZYHUDNBSSA-N 0 3 191.274 2.427 10 0 AEAEHN Cc1ccc([C@]2(N)CCCOC2)s1 84007415 573741851 /nfs/dbraw/zinc/74/18/51/573741851.db2.gz GRLOWFYJBOIPJM-JTQLQIEISA-N 0 3 197.303 2.021 10 0 AEAEHN NC[C@H](F)c1ccc2occc2c1 108292213 573742060 /nfs/dbraw/zinc/74/20/60/573742060.db2.gz KLGCFGDIPYORCQ-VIFPVBQESA-N 0 3 179.194 2.402 10 0 AEAEHN NC[C@H](F)c1ccc(Cl)s1 108292713 573742077 /nfs/dbraw/zinc/74/20/77/573742077.db2.gz ZXNZACRYFFDOCP-BYPYZUCNSA-N 0 3 179.647 2.371 10 0 AEAEHN CC[C@@H]1Oc2cc(C)ccc2[C@@H]1NC 87016249 573742417 /nfs/dbraw/zinc/74/24/17/573742417.db2.gz GCYXQFDKZBJECD-JQWIXIFHSA-N 0 3 191.274 2.427 10 0 AEAEHN Cc1ccsc1[C@]1(N)CCCOC1 87021135 573742116 /nfs/dbraw/zinc/74/21/16/573742116.db2.gz FXSXVLGCZRMFHQ-JTQLQIEISA-N 0 3 197.303 2.021 10 0 AEAEHN CCN[C@@H]1CCOc2cc(C)ccc21 87016233 573742219 /nfs/dbraw/zinc/74/22/19/573742219.db2.gz IKTGPLGVPPJDES-LLVKDONJSA-N 0 3 191.274 2.428 10 0 AEAEHN CCN[C@H]1CCOc2cc(C)ccc21 87016234 573742232 /nfs/dbraw/zinc/74/22/32/573742232.db2.gz IKTGPLGVPPJDES-NSHDSACASA-N 0 3 191.274 2.428 10 0 AEAEHN NC[C@@H](F)c1ccc2c(c1)CCC2 108292375 573742237 /nfs/dbraw/zinc/74/22/37/573742237.db2.gz OIJIOOOATNCLCY-LLVKDONJSA-N 0 3 179.238 2.145 10 0 AEAEHN Cc1ccc2c(c1)OC[C@@H]2NC(C)C 87016271 573742252 /nfs/dbraw/zinc/74/22/52/573742252.db2.gz XWJYXRXGUWBNEH-NSHDSACASA-N 0 3 191.274 2.427 10 0 AEAEHN CC1Oc2cc(Cl)ccc2C1=O 87015962 573742266 /nfs/dbraw/zinc/74/22/66/573742266.db2.gz CRUBHOKQBMYCAP-RXMQYKEDSA-N 0 3 182.606 2.304 10 0 AEAEHN CCN[C@H]1c2ccc(F)cc2O[C@H]1C 87016154 573742431 /nfs/dbraw/zinc/74/24/31/573742431.db2.gz ALXGTEQRXCEYJE-WRWORJQWSA-N 0 3 195.237 2.257 10 0 AEAEHN CCO[C@@H]1C[C@@H]1NCc1cccs1 308428289 573742357 /nfs/dbraw/zinc/74/23/57/573742357.db2.gz SCWCVRVZRXSACT-VHSXEESVSA-N 0 3 197.303 2.015 10 0 AEAEHN CSC[C@H](N)c1sccc1C 87021816 573743198 /nfs/dbraw/zinc/74/31/98/573743198.db2.gz PPEPOOBYZVHJCV-ZETCQYMHSA-N 0 3 187.333 2.419 10 0 AEAEHN CC[C@H]1Oc2cc(C)ccc2[C@H]1N 87016255 573743216 /nfs/dbraw/zinc/74/32/16/573743216.db2.gz CXSWEZQHWQLDBB-MWLCHTKSSA-N 0 3 177.247 2.166 10 0 AEAEHN CCCN[C@@H]1COc2cc(C)ccc21 87016322 573743226 /nfs/dbraw/zinc/74/32/26/573743226.db2.gz VCYTZPMPTGKCCV-LLVKDONJSA-N 0 3 191.274 2.428 10 0 AEAEHN CC1(C)CC(=O)C[C@@H](C(C)(C)C)N1 144872347 573743296 /nfs/dbraw/zinc/74/32/96/573743296.db2.gz CUXOKMWBQYZXJS-VIFPVBQESA-N 0 3 183.295 2.132 10 0 AEAEHN CCN[C@H]1c2ccc(C)cc2O[C@@H]1C 87016277 573743326 /nfs/dbraw/zinc/74/33/26/573743326.db2.gz AGAAQNISYDLREX-BXKDBHETSA-N 0 3 191.274 2.427 10 0 AEAEHN C[C@@H]1Oc2cc(Cl)ccc2[C@@H]1N 87016063 573743342 /nfs/dbraw/zinc/74/33/42/573743342.db2.gz NVQWJHJDUPTSPG-SSDLBLMSSA-N 0 3 183.638 2.121 10 0 AEAEHN CCCc1ncc2cccc(OC)n12 258102742 573743386 /nfs/dbraw/zinc/74/33/86/573743386.db2.gz XNATUKWGBGFMBY-UHFFFAOYSA-N 0 3 190.246 2.295 10 0 AEAEHN CN[C@@H]1CCOc2cc(C)ccc21 87016308 573743436 /nfs/dbraw/zinc/74/34/36/573743436.db2.gz DVWRWOBWKKTTFN-SNVBAGLBSA-N 0 3 177.247 2.038 10 0 AEAEHN Cc1cc([O-])c(Cl)cc1CCC[NH3+] 258102942 573743460 /nfs/dbraw/zinc/74/34/60/573743460.db2.gz KSCNPIYOMYCGCP-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN C[C@](F)(CN)c1ccc2c(c1)CCC2 108303172 573743562 /nfs/dbraw/zinc/74/35/62/573743562.db2.gz AQBXBMXGFLCPKE-LBPRGKRZSA-N 0 3 193.265 2.319 10 0 AEAEHN NC[C@H](F)c1cc(F)ccc1Cl 108301972 573743625 /nfs/dbraw/zinc/74/36/25/573743625.db2.gz CHMOVDLDRKKVGA-QMMMGPOBSA-N 0 3 191.608 2.448 10 0 AEAEHN Cc1cc([C@](C)(F)CN)ccc1F 108297816 573743646 /nfs/dbraw/zinc/74/36/46/573743646.db2.gz QANCOKSCJXTXOO-SNVBAGLBSA-N 0 3 185.217 2.278 10 0 AEAEHN CC[C@@H]1Oc2cc(F)ccc2[C@H]1NC 87016123 573743663 /nfs/dbraw/zinc/74/36/63/573743663.db2.gz DAANMCJPQDEBJM-GXSJLCMTSA-N 0 3 195.237 2.257 10 0 AEAEHN CCCN[C@H]1COc2cc(F)ccc21 87016200 573743754 /nfs/dbraw/zinc/74/37/54/573743754.db2.gz NVDJFKZUQTWUGC-JTQLQIEISA-N 0 3 195.237 2.259 10 0 AEAEHN CNC[C@H](F)c1cc(C)ccc1OC 257861078 573743776 /nfs/dbraw/zinc/74/37/76/573743776.db2.gz VLNHAFHWQXQBHE-JTQLQIEISA-N 0 3 197.253 2.234 10 0 AEAEHN CN[C@@H]1c2ccc(C)cc2O[C@H]1C 87016227 573743811 /nfs/dbraw/zinc/74/38/11/573743811.db2.gz QVVHPPJPGINCAP-KWQFWETISA-N 0 3 177.247 2.036 10 0 AEAEHN CC[C@@H]1Oc2cc(C)ccc2[C@H]1N 87016257 573743820 /nfs/dbraw/zinc/74/38/20/573743820.db2.gz CXSWEZQHWQLDBB-GXSJLCMTSA-N 0 3 177.247 2.166 10 0 AEAEHN CCN[C@@H]1c2ccc(F)cc2O[C@H]1C 87016152 573743843 /nfs/dbraw/zinc/74/38/43/573743843.db2.gz ALXGTEQRXCEYJE-CPCISQLKSA-N 0 3 195.237 2.257 10 0 AEAEHN CN[C@@H](CSC)c1cc(C)co1 716153059 573743886 /nfs/dbraw/zinc/74/38/86/573743886.db2.gz NRJDXTDBBHGTPL-QMMMGPOBSA-N 0 3 185.292 2.212 10 0 AEAEHN CCN[C@H]1COc2cc(Cl)ccc21 87016053 573743917 /nfs/dbraw/zinc/74/39/17/573743917.db2.gz NQHSOONPNLXIFR-VIFPVBQESA-N 0 3 197.665 2.383 10 0 AEAEHN Cc1cccc2c1CCC[C@]2(F)CN 108303189 573743979 /nfs/dbraw/zinc/74/39/79/573743979.db2.gz NWHJHRPBRYVVBM-LBPRGKRZSA-N 0 3 193.265 2.455 10 0 AEAEHN Cc1ccc2c(c1Cl)[C@H](N)CCO2 238500427 573744009 /nfs/dbraw/zinc/74/40/09/573744009.db2.gz CZLXTUMKZOIGSX-SSDOTTSWSA-N 0 3 197.665 2.431 10 0 AEAEHN CC[C@H]1Oc2cc(F)ccc2[C@H]1NC 87016121 573744049 /nfs/dbraw/zinc/74/40/49/573744049.db2.gz DAANMCJPQDEBJM-MWLCHTKSSA-N 0 3 195.237 2.257 10 0 AEAEHN C[C@](F)(CN)c1cc(F)ccc1F 108300235 573744096 /nfs/dbraw/zinc/74/40/96/573744096.db2.gz DSOJQONYCPLCDQ-VIFPVBQESA-N 0 3 189.180 2.108 10 0 AEAEHN CCCN[C@@H]1COc2cc(F)ccc21 87016198 573744156 /nfs/dbraw/zinc/74/41/56/573744156.db2.gz NVDJFKZUQTWUGC-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1sccc1C 87022376 573744245 /nfs/dbraw/zinc/74/42/45/573744245.db2.gz ZAZPXRQONSAGTN-YUMQZZPRSA-N 0 3 185.292 2.091 10 0 AEAEHN CC[C@H]1Oc2cc(C)ccc2[C@@H]1NC 87016247 573745066 /nfs/dbraw/zinc/74/50/66/573745066.db2.gz GCYXQFDKZBJECD-PWSUYJOCSA-N 0 3 191.274 2.427 10 0 AEAEHN NC[C@@]1(F)CCCc2cccc(F)c21 257863079 573746703 /nfs/dbraw/zinc/74/67/03/573746703.db2.gz RIYLUICGMVMEFU-NSHDSACASA-N 0 3 197.228 2.286 10 0 AEAEHN Cc1ccc(C)c2c1CC[C@]2(F)CN 108303173 573746595 /nfs/dbraw/zinc/74/65/95/573746595.db2.gz WJGIIDBMXHVSJO-LBPRGKRZSA-N 0 3 193.265 2.373 10 0 AEAEHN Cc1ccc2c(c1C)[C@@H](N)CCO2 238500706 573746682 /nfs/dbraw/zinc/74/66/82/573746682.db2.gz ULJJYRUAKXKFNI-VIFPVBQESA-N 0 3 177.247 2.086 10 0 AEAEHN NC[C@@H](F)c1ccc(Cl)c(F)c1 108301975 573746801 /nfs/dbraw/zinc/74/68/01/573746801.db2.gz GOZSPQFGAMDYJB-MRVPVSSYSA-N 0 3 191.608 2.448 10 0 AEAEHN C[C@@](F)(CN)c1cc2ccccc2[nH]1 108302395 573746953 /nfs/dbraw/zinc/74/69/53/573746953.db2.gz JOADFFBXYRZSOY-LLVKDONJSA-N 0 3 192.237 2.311 10 0 AEAEHN Cc1ccc(Cl)c([C@@H](N)CCO)c1 108311793 573749851 /nfs/dbraw/zinc/74/98/51/573749851.db2.gz OGZHDQXGJLVLRX-JTQLQIEISA-N 0 3 199.681 2.031 10 0 AEAEHN NC[C@@]1(F)CCc2ccc(Cl)cc21 108311719 573748563 /nfs/dbraw/zinc/74/85/63/573748563.db2.gz APWDRBDKBORIOD-JTQLQIEISA-N 0 3 199.656 2.410 10 0 AEAEHN NC1([C@@H](F)Cc2cccc(F)c2)CC1 257863816 573748665 /nfs/dbraw/zinc/74/86/65/573748665.db2.gz RPSYGIMWBMLUJU-JTQLQIEISA-N 0 3 197.228 2.198 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N([C@@H]2CCCC2=O)C1 84050045 573749905 /nfs/dbraw/zinc/74/99/05/573749905.db2.gz KOWCTSUYHLVSJR-GMTAPVOTSA-N 0 3 195.306 2.228 10 0 AEAEHN NC[C@]1(F)CCCc2cc(F)ccc21 108307816 573749404 /nfs/dbraw/zinc/74/94/04/573749404.db2.gz FOMWCFDOYJOYFJ-LLVKDONJSA-N 0 3 197.228 2.286 10 0 AEAEHN NC[C@]1(F)CCCc2cccc(F)c21 257863078 573748880 /nfs/dbraw/zinc/74/88/80/573748880.db2.gz RIYLUICGMVMEFU-LLVKDONJSA-N 0 3 197.228 2.286 10 0 AEAEHN NC[C@@]1(F)CCCc2cc(F)ccc21 108307813 573749139 /nfs/dbraw/zinc/74/91/39/573749139.db2.gz FOMWCFDOYJOYFJ-NSHDSACASA-N 0 3 197.228 2.286 10 0 AEAEHN COc1cc(C)c([C@H](F)CN)c(C)c1 108307979 573749167 /nfs/dbraw/zinc/74/91/67/573749167.db2.gz ZJRDQUNBDXFPQC-SNVBAGLBSA-N 0 3 197.253 2.281 10 0 AEAEHN COc1ccc([C@](C)(F)CN)cc1C 108308002 573749228 /nfs/dbraw/zinc/74/92/28/573749228.db2.gz PXDMFSHDTYOSJV-LLVKDONJSA-N 0 3 197.253 2.147 10 0 AEAEHN COc1c(C)cc([C@@H](F)CN)cc1C 108307977 573749240 /nfs/dbraw/zinc/74/92/40/573749240.db2.gz BBVBTWKZWQASIN-JTQLQIEISA-N 0 3 197.253 2.281 10 0 AEAEHN NC[C@]1(F)CCCc2c(F)cccc21 108307811 573749299 /nfs/dbraw/zinc/74/92/99/573749299.db2.gz NNZBOMMPFDIUEQ-LLVKDONJSA-N 0 3 197.228 2.286 10 0 AEAEHN CCC(=O)[C@H](C)N1C[C@H](C)CC[C@@H]1C 84050000 573749300 /nfs/dbraw/zinc/74/93/00/573749300.db2.gz TZHZRMOBRDRQGL-VWYCJHECSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@H]1N[C@@H](c2ccccc2)OC1(C)C 238497221 573749575 /nfs/dbraw/zinc/74/95/75/573749575.db2.gz LOQKXCTUIGJROU-MWLCHTKSSA-N 0 3 191.274 2.472 10 0 AEAEHN C[C@H]1CC[C@@H](C)CN1[C@@H]1CCCC1=O 84050039 573749619 /nfs/dbraw/zinc/74/96/19/573749619.db2.gz KOWCTSUYHLVSJR-OUAUKWLOSA-N 0 3 195.306 2.228 10 0 AEAEHN CCCCCNCc1csc(N)n1 98123837 573749651 /nfs/dbraw/zinc/74/96/51/573749651.db2.gz XMANIMVSFWZYPC-UHFFFAOYSA-N 0 3 199.323 2.005 10 0 AEAEHN COc1ccc(C)cc1[C@@](C)(F)CN 108307999 573753148 /nfs/dbraw/zinc/75/31/48/573753148.db2.gz WOKNUMPZEUWOSC-NSHDSACASA-N 0 3 197.253 2.147 10 0 AEAEHN CNC[C@H](F)c1ccc(C)cc1 257865643 573751672 /nfs/dbraw/zinc/75/16/72/573751672.db2.gz WXXXMDMRCYMOCB-JTQLQIEISA-N 0 3 167.227 2.225 10 0 AEAEHN CC(C)n1ccnc1CNC1CCC1 257865144 573753169 /nfs/dbraw/zinc/75/31/69/573753169.db2.gz GTFFMSFAFDEYTF-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN CC(C)([NH3+])c1coc2cccc([O-])c12 257864545 573751730 /nfs/dbraw/zinc/75/17/30/573751730.db2.gz HHQSVWQSUFETEJ-UHFFFAOYSA-N 0 3 191.230 2.332 10 0 AEAEHN CCn1c(CSC(C)C)cnc1N 258116772 573751761 /nfs/dbraw/zinc/75/17/61/573751761.db2.gz JIIRJDBOVPJTQD-UHFFFAOYSA-N 0 3 199.323 2.127 10 0 AEAEHN Cc1ccc(Cl)c2c1O[C@@H](C)[C@H]2N 84058033 573753186 /nfs/dbraw/zinc/75/31/86/573753186.db2.gz SGTPVSKCLAPYAR-IMTBSYHQSA-N 0 3 197.665 2.429 10 0 AEAEHN COc1cc(C)c(C)cc1[C@@H](F)CN 108307987 573751877 /nfs/dbraw/zinc/75/18/77/573751877.db2.gz SDEGLQCWBFTOMV-JTQLQIEISA-N 0 3 197.253 2.281 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@@H](C)CC[C@@H]1C 84050123 573752054 /nfs/dbraw/zinc/75/20/54/573752054.db2.gz FYXMATGIGDTPSU-GUBZILKMSA-N 0 3 183.295 2.084 10 0 AEAEHN CCOc1ccc2occ(CN)c2c1 84061702 573752265 /nfs/dbraw/zinc/75/22/65/573752265.db2.gz VUHIUIBDBPGZQN-UHFFFAOYSA-N 0 3 191.230 2.290 10 0 AEAEHN CNC[C@@](C)(F)c1ccccc1 257865674 573752302 /nfs/dbraw/zinc/75/23/02/573752302.db2.gz WZFXGQHQVGOKDQ-SNVBAGLBSA-N 0 3 167.227 2.091 10 0 AEAEHN C[C@H]1CC[C@@H](C)CN1CC(=O)C1CC1 84050216 573752669 /nfs/dbraw/zinc/75/26/69/573752669.db2.gz NIGVQQIJEYIYDP-ZJUUUORDSA-N 0 3 195.306 2.086 10 0 AEAEHN Cc1cc([O-])c(Cl)c([C@H](C)C[NH3+])c1 258116422 573752683 /nfs/dbraw/zinc/75/26/83/573752683.db2.gz LTWSHSMITJPQOF-SSDOTTSWSA-N 0 3 199.681 2.416 10 0 AEAEHN CC(C)c1[nH]c(CN)nc1C1CCC1 257864610 573752772 /nfs/dbraw/zinc/75/27/72/573752772.db2.gz RURJSGYYUFMGEK-UHFFFAOYSA-N 0 3 193.294 2.259 10 0 AEAEHN CC(C)c1nc(CN)[nH]c1C1CCC1 257864610 573752777 /nfs/dbraw/zinc/75/27/77/573752777.db2.gz RURJSGYYUFMGEK-UHFFFAOYSA-N 0 3 193.294 2.259 10 0 AEAEHN C[C@H]1N[C@H](c2ccccc2)OC1(C)C 238498431 573752946 /nfs/dbraw/zinc/75/29/46/573752946.db2.gz LOQKXCTUIGJROU-KOLCDFICSA-N 0 3 191.274 2.472 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N(CC(=O)C2CC2)C1 84050225 573758756 /nfs/dbraw/zinc/75/87/56/573758756.db2.gz NIGVQQIJEYIYDP-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN CC(C)(C)C[C@H]([NH3+])c1ccc([O-])cn1 238081444 573757639 /nfs/dbraw/zinc/75/76/39/573757639.db2.gz LZUUDPLOKOFIRM-VIFPVBQESA-N 0 3 194.278 2.223 10 0 AEAEHN CC(C)(C)C[C@H](N)c1ccc(O)cn1 238081444 573757646 /nfs/dbraw/zinc/75/76/46/573757646.db2.gz LZUUDPLOKOFIRM-VIFPVBQESA-N 0 3 194.278 2.223 10 0 AEAEHN Cc1ccc(Cl)c2c1O[C@H](C)[C@H]2N 84058029 573757872 /nfs/dbraw/zinc/75/78/72/573757872.db2.gz SGTPVSKCLAPYAR-HZGVNTEJSA-N 0 3 197.665 2.429 10 0 AEAEHN CNCc1coc2cc(F)cc(F)c12 84062021 573758058 /nfs/dbraw/zinc/75/80/58/573758058.db2.gz IHWZYKBXZRVFJH-UHFFFAOYSA-N 0 3 197.184 2.430 10 0 AEAEHN C[C@H](C[NH3+])c1cc2c([O-])cccc2o1 257867232 573758100 /nfs/dbraw/zinc/75/81/00/573758100.db2.gz HTYPCVIVNFFLRR-SSDOTTSWSA-N 0 3 191.230 2.201 10 0 AEAEHN CC(C)(C)C[C@H](N)c1ccc(N)cn1 238081153 573758140 /nfs/dbraw/zinc/75/81/40/573758140.db2.gz PHPOJZPXPKBOHP-VIFPVBQESA-N 0 3 193.294 2.100 10 0 AEAEHN Cc1cccc2c1Cn1ccnc1N2 143429125 573758646 /nfs/dbraw/zinc/75/86/46/573758646.db2.gz LBCBVXBDTOVYQF-UHFFFAOYSA-N 0 3 185.230 2.297 10 0 AEAEHN Cc1ccc(Cl)c2c1OC[C@H]2N 84058110 573758703 /nfs/dbraw/zinc/75/87/03/573758703.db2.gz ZCOKZQNKXYZKQM-SSDOTTSWSA-N 0 3 183.638 2.041 10 0 AEAEHN C[C@@H](C[NH3+])c1cc2c([O-])cccc2o1 257867235 573758823 /nfs/dbraw/zinc/75/88/23/573758823.db2.gz HTYPCVIVNFFLRR-ZETCQYMHSA-N 0 3 191.230 2.201 10 0 AEAEHN C[C@H]1CC[C@H](C)N(CC(=O)C2CC2)C1 84050222 573759056 /nfs/dbraw/zinc/75/90/56/573759056.db2.gz NIGVQQIJEYIYDP-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN CN1CCC[C@H]1c1ccccc1C=O 257867274 573759802 /nfs/dbraw/zinc/75/98/02/573759802.db2.gz SHTVLGKTCFJYOI-LBPRGKRZSA-N 0 3 189.258 2.266 10 0 AEAEHN Cc1cccc(N(C)[C@H]2CCCN2)c1 257870235 573762852 /nfs/dbraw/zinc/76/28/52/573762852.db2.gz STPTWRZJOBVIRI-LBPRGKRZSA-N 0 3 190.290 2.141 10 0 AEAEHN Cc1cccc2c1Nc1nccn1C2 143431505 573760856 /nfs/dbraw/zinc/76/08/56/573760856.db2.gz SKLLQDANDKPNCX-UHFFFAOYSA-N 0 3 185.230 2.297 10 0 AEAEHN C[C@@H]1CN([C@H]2CC=CCC2)CCC1=O 84068024 573760894 /nfs/dbraw/zinc/76/08/94/573760894.db2.gz BZZSAZRLQUGKOI-MNOVXSKESA-N 0 3 193.290 2.006 10 0 AEAEHN C[C@H]1CN([C@H]2CC=CCC2)CCC1=O 84068026 573761336 /nfs/dbraw/zinc/76/13/36/573761336.db2.gz BZZSAZRLQUGKOI-QWRGUYRKSA-N 0 3 193.290 2.006 10 0 AEAEHN Cc1ccc(NC[C@](C)(F)CN)cc1 257869000 573761440 /nfs/dbraw/zinc/76/14/40/573761440.db2.gz SPDYEIGJQOZXFL-LLVKDONJSA-N 0 3 196.269 2.094 10 0 AEAEHN Cc1cccc(N(C)[C@@H]2CCCN2)c1 257870233 573761666 /nfs/dbraw/zinc/76/16/66/573761666.db2.gz STPTWRZJOBVIRI-GFCCVEGCSA-N 0 3 190.290 2.141 10 0 AEAEHN C[C@H](N[C@@H]1CC=CCC1)c1cc[nH]n1 84066816 573761880 /nfs/dbraw/zinc/76/18/80/573761880.db2.gz HOMBPDUFHGIFAP-VHSXEESVSA-N 0 3 191.278 2.169 10 0 AEAEHN CC[C@H](C)Sc1cccnc1CN 131007230 573761955 /nfs/dbraw/zinc/76/19/55/573761955.db2.gz ASCLFQJABJLCGA-QMMMGPOBSA-N 0 3 196.319 2.431 10 0 AEAEHN CNCNCC(C)(C)C1CCCCC1 258919609 573762147 /nfs/dbraw/zinc/76/21/47/573762147.db2.gz NLKCDCSIPLNOBE-UHFFFAOYSA-N 0 3 198.354 2.359 10 0 AEAEHN CN[C@@H](C)[C@@H](F)Cc1ccc(C)cc1 257869075 573762166 /nfs/dbraw/zinc/76/21/66/573762166.db2.gz SRWCOFPCKRLCEW-JQWIXIFHSA-N 0 3 195.281 2.484 10 0 AEAEHN CC[C@@H](C)Sc1cccnc1CN 131007015 573762265 /nfs/dbraw/zinc/76/22/65/573762265.db2.gz ASCLFQJABJLCGA-MRVPVSSYSA-N 0 3 196.319 2.431 10 0 AEAEHN CN[C@@H](C)[C@H](F)Cc1ccc(C)cc1 257869073 573762336 /nfs/dbraw/zinc/76/23/36/573762336.db2.gz SRWCOFPCKRLCEW-CMPLNLGQSA-N 0 3 195.281 2.484 10 0 AEAEHN CN[C@H](C)c1onc2ccc(F)cc12 257869062 573762582 /nfs/dbraw/zinc/76/25/82/573762582.db2.gz SRIFBOVDTZMCQC-ZCFIWIBFSA-N 0 3 194.209 2.247 10 0 AEAEHN CN[C@H](C)[C@@H](F)Cc1ccc(C)cc1 257869078 573762702 /nfs/dbraw/zinc/76/27/02/573762702.db2.gz SRWCOFPCKRLCEW-PWSUYJOCSA-N 0 3 195.281 2.484 10 0 AEAEHN CN[C@@H](C)c1onc2ccc(F)cc12 257869060 573763480 /nfs/dbraw/zinc/76/34/80/573763480.db2.gz SRIFBOVDTZMCQC-LURJTMIESA-N 0 3 194.209 2.247 10 0 AEAEHN C1=C[C@@H]2N[C@H](C1)Cc1ccccc12 238088879 573763377 /nfs/dbraw/zinc/76/33/77/573763377.db2.gz CXJAZLONWWPGBP-PWSUYJOCSA-N 0 3 171.243 2.202 10 0 AEAEHN Cc1ccc(/C=C/C[NH3+])c(Cl)c1[O-] 258121259 573763432 /nfs/dbraw/zinc/76/34/32/573763432.db2.gz QRUNPHRJXPIYGD-NSCUHMNNSA-N 0 3 197.665 2.326 10 0 AEAEHN Cc1cc2c(c([C@H](C)N)c1C)OCO2 258123919 573763458 /nfs/dbraw/zinc/76/34/58/573763458.db2.gz QVUWYYHXTFWDRT-QMMMGPOBSA-N 0 3 193.246 2.052 10 0 AEAEHN Cc1cccc([C@@H]2CCNC[C@H]2F)c1 238508636 573767080 /nfs/dbraw/zinc/76/70/80/573767080.db2.gz LJHVPHQKFWERIO-NWDGAFQWSA-N 0 3 193.265 2.410 10 0 AEAEHN C1=C[C@H]2N[C@@H](C1)Cc1ccccc12 238088941 573764503 /nfs/dbraw/zinc/76/45/03/573764503.db2.gz CXJAZLONWWPGBP-CMPLNLGQSA-N 0 3 171.243 2.202 10 0 AEAEHN CN[C@H](C)[C@H](F)Cc1ccc(C)cc1 257869080 573764601 /nfs/dbraw/zinc/76/46/01/573764601.db2.gz SRWCOFPCKRLCEW-ZYHUDNBSSA-N 0 3 195.281 2.484 10 0 AEAEHN C[C@H](N[C@H]1CC=CCC1)c1cc[nH]n1 84066814 573764772 /nfs/dbraw/zinc/76/47/72/573764772.db2.gz HOMBPDUFHGIFAP-UWVGGRQHSA-N 0 3 191.278 2.169 10 0 AEAEHN C[C@@H]1CC(=O)CCN1[C@H]1CC=CCC1 84068050 573764803 /nfs/dbraw/zinc/76/48/03/573764803.db2.gz LYFOYMZHGCAKMZ-MNOVXSKESA-N 0 3 193.290 2.149 10 0 AEAEHN C[C@@H](N[C@@H]1CC=CCC1)c1cc[nH]n1 84066817 573764812 /nfs/dbraw/zinc/76/48/12/573764812.db2.gz HOMBPDUFHGIFAP-NXEZZACHSA-N 0 3 191.278 2.169 10 0 AEAEHN C[C@@H](N[C@H]1CC=CCC1)c1cc[nH]n1 84066815 573764911 /nfs/dbraw/zinc/76/49/11/573764911.db2.gz HOMBPDUFHGIFAP-ZJUUUORDSA-N 0 3 191.278 2.169 10 0 AEAEHN Cc1cc2c(c([C@@H](C)N)c1C)OCO2 258123916 573765264 /nfs/dbraw/zinc/76/52/64/573765264.db2.gz QVUWYYHXTFWDRT-MRVPVSSYSA-N 0 3 193.246 2.052 10 0 AEAEHN C[C@H](N)c1c(F)cc2cc[nH]c2c1F 258123867 573765729 /nfs/dbraw/zinc/76/57/29/573765729.db2.gz QVAUSMBAEDLJII-YFKPBYRVSA-N 0 3 196.200 2.466 10 0 AEAEHN CC(C)n1cc(N)nc1NC1CCC1 257870770 573766126 /nfs/dbraw/zinc/76/61/26/573766126.db2.gz HYJNMIGFQQNNAM-UHFFFAOYSA-N 0 3 194.282 2.011 10 0 AEAEHN CCCCSc1cccnc1CN 131015667 573766435 /nfs/dbraw/zinc/76/64/35/573766435.db2.gz ZTRVSKFPQBSWCG-UHFFFAOYSA-N 0 3 196.319 2.433 10 0 AEAEHN C[C@](F)(c1ccccc1F)[C@@H]1CCN1 257872515 573766740 /nfs/dbraw/zinc/76/67/40/573766740.db2.gz TZCIXKOUSBNONY-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN CC(=O)CNCC(C)(C)C(C)(C)C 258928690 573766974 /nfs/dbraw/zinc/76/69/74/573766974.db2.gz OPMFDQRYTNHTBA-UHFFFAOYSA-N 0 3 185.311 2.237 10 0 AEAEHN C[C@@](F)(c1ccccc1F)[C@@H]1CCN1 257872518 573769239 /nfs/dbraw/zinc/76/92/39/573769239.db2.gz TZCIXKOUSBNONY-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN Cc1ncc2cccc(Cl)n12 257870801 573768785 /nfs/dbraw/zinc/76/87/85/573768785.db2.gz AYJBMTSYLYHSDY-UHFFFAOYSA-N 0 3 166.611 2.296 10 0 AEAEHN CC(C)c1cccnc1C1(N)CC1 259177343 573769017 /nfs/dbraw/zinc/76/90/17/573769017.db2.gz ICWCMHZEYGQCKL-UHFFFAOYSA-N 0 3 176.263 2.153 10 0 AEAEHN Cc1cc([C@@H]2CCN2)c(Cl)cc1N 238509469 573769023 /nfs/dbraw/zinc/76/90/23/573769023.db2.gz ZCFSRDLVCVTIEO-JTQLQIEISA-N 0 3 196.681 2.265 10 0 AEAEHN Clc1ccoc1[C@H]1CCCN1 238509241 573769052 /nfs/dbraw/zinc/76/90/52/573769052.db2.gz VTYOQJDOVWHTBW-SSDOTTSWSA-N 0 3 171.627 2.358 10 0 AEAEHN CC(C)Cc1cnc(Cl)c(CN)c1 257872014 573769118 /nfs/dbraw/zinc/76/91/18/573769118.db2.gz QQKOUUMQMGAXAZ-UHFFFAOYSA-N 0 3 198.697 2.392 10 0 AEAEHN c1cc2c(cc1C1CC1)CNC2 238096737 573770146 /nfs/dbraw/zinc/77/01/46/573770146.db2.gz WYRFRBDJCSFSMG-UHFFFAOYSA-N 0 3 159.232 2.167 10 0 AEAEHN NCc1ccccc1OC/C=C\Cl 215365798 573771117 /nfs/dbraw/zinc/77/11/17/573771117.db2.gz CYDQOEOQCULIHD-UTCJRWHESA-N 0 3 197.665 2.277 10 0 AEAEHN CC(C)c1ccnc([C@H](C)N)c1 259181109 573771666 /nfs/dbraw/zinc/77/16/66/573771666.db2.gz IERVASBBJDYJEJ-QMMMGPOBSA-N 0 3 164.252 2.225 10 0 AEAEHN C[C@H](N)c1csc(-c2cc[nH]c2)n1 259179877 573772252 /nfs/dbraw/zinc/77/22/52/573772252.db2.gz GGDDYASBTMFRLU-LURJTMIESA-N 0 3 193.275 2.158 10 0 AEAEHN CCC(CC)CCNCc1c[nH]cn1 308714750 573774046 /nfs/dbraw/zinc/77/40/46/573774046.db2.gz AVBPFCPDOJPXTJ-UHFFFAOYSA-N 0 3 195.310 2.326 10 0 AEAEHN C[C@@H](N)c1csc(-c2cc[nH]c2)n1 259179882 573775886 /nfs/dbraw/zinc/77/58/86/573775886.db2.gz GGDDYASBTMFRLU-ZCFIWIBFSA-N 0 3 193.275 2.158 10 0 AEAEHN CN(C)Cc1cc2ccc(O)cc2o1 258128063 573776004 /nfs/dbraw/zinc/77/60/04/573776004.db2.gz UTOGZCKXEBWWST-UHFFFAOYSA-N 0 3 191.230 2.200 10 0 AEAEHN NCc1cc(F)cc(F)c1Cl 108369137 573777202 /nfs/dbraw/zinc/77/72/02/573777202.db2.gz STWIDJDJBPYWRJ-UHFFFAOYSA-N 0 3 177.581 2.077 10 0 AEAEHN CC(C)(C)NCc1cc(N)ccc1F 238107921 573777315 /nfs/dbraw/zinc/77/73/15/573777315.db2.gz PODRSPXIBLHATN-UHFFFAOYSA-N 0 3 196.269 2.296 10 0 AEAEHN CC(C)c1cnc2cc(CN)[nH]c2c1 257876258 573777779 /nfs/dbraw/zinc/77/77/79/573777779.db2.gz UOWLLXBEMQFZJU-UHFFFAOYSA-N 0 3 189.262 2.145 10 0 AEAEHN Cc1c(CN)cnc2c(F)cccc12 257875482 573777833 /nfs/dbraw/zinc/77/78/33/573777833.db2.gz UMBHCPZKCWWQOX-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN CC[C@@H](c1cccs1)N(C)CCO 308436645 573778138 /nfs/dbraw/zinc/77/81/38/573778138.db2.gz WVCORHNQBBBDQX-VIFPVBQESA-N 0 3 199.319 2.123 10 0 AEAEHN CNC[C@@](C)(F)c1cccc(F)c1 257875424 573779257 /nfs/dbraw/zinc/77/92/57/573779257.db2.gz ZDQXIHLQVZMOLS-SNVBAGLBSA-N 0 3 185.217 2.230 10 0 AEAEHN CN[C@H](CC(C)=O)c1cccc(F)c1 259569939 573779512 /nfs/dbraw/zinc/77/95/12/573779512.db2.gz WPYZOLPYRCOGFT-LLVKDONJSA-N 0 3 195.237 2.065 10 0 AEAEHN Cc1ccc(F)c(Cl)c1CN 108368603 573779542 /nfs/dbraw/zinc/77/95/42/573779542.db2.gz UXEZYOCSVBYNQR-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN Cc1cnc(C)c(C(F)F)c1CN 238512201 573779576 /nfs/dbraw/zinc/77/95/76/573779576.db2.gz JPIIAYJQTRMEGT-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN NCc1cc(F)c(Cl)c(F)c1 108369134 573779646 /nfs/dbraw/zinc/77/96/46/573779646.db2.gz XWQZWJBDLBAERP-UHFFFAOYSA-N 0 3 177.581 2.077 10 0 AEAEHN C[C@H](N)c1ccccc1OC1CC1 108369052 573779843 /nfs/dbraw/zinc/77/98/43/573779843.db2.gz JVDXJCJYRZWTKZ-QMMMGPOBSA-N 0 3 177.247 2.248 10 0 AEAEHN Cc1nn([C@@H]2CC[C@H](C)C2)cc1CN 716170835 573780172 /nfs/dbraw/zinc/78/01/72/573780172.db2.gz UCXLLMGFHWUZCA-GZMMTYOYSA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1nn([C@@H]2CC[C@@H](C)C2)cc1CN 716170857 573780700 /nfs/dbraw/zinc/78/07/00/573780700.db2.gz UCXLLMGFHWUZCA-LDYMZIIASA-N 0 3 193.294 2.011 10 0 AEAEHN CC[C@H](c1cccs1)N(C)CCO 308436644 573780887 /nfs/dbraw/zinc/78/08/87/573780887.db2.gz WVCORHNQBBBDQX-SECBINFHSA-N 0 3 199.319 2.123 10 0 AEAEHN CC(C)Cc1ncc2ccc(O)cn12 257875928 573780901 /nfs/dbraw/zinc/78/09/01/573780901.db2.gz BPHBNSOMMYPLIG-UHFFFAOYSA-N 0 3 190.246 2.238 10 0 AEAEHN Cc1cc(C(F)F)c(CN)c(C)n1 238503477 573785480 /nfs/dbraw/zinc/78/54/80/573785480.db2.gz JQFAEWCKZURNGM-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN Cc1cnc(C(F)F)c(CN)c1C 238502676 573784652 /nfs/dbraw/zinc/78/46/52/573784652.db2.gz ILCDZTOFLOHNSE-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CO[C@H]1C[C@@H](N[C@H](C)c2ccoc2)C1 308739148 573784733 /nfs/dbraw/zinc/78/47/33/573784733.db2.gz NMFPXNKFWSCGCJ-IEBDPFPHSA-N 0 3 195.262 2.108 10 0 AEAEHN CC(C)Sc1ccc(CN)nc1 122653315 573784918 /nfs/dbraw/zinc/78/49/18/573784918.db2.gz HTECZBHZAKHARD-UHFFFAOYSA-N 0 3 182.292 2.041 10 0 AEAEHN C[C@H](N)c1cc(F)ccc1OC1CC1 108374059 573785107 /nfs/dbraw/zinc/78/51/07/573785107.db2.gz QYKIOEVVZXWROT-ZETCQYMHSA-N 0 3 195.237 2.387 10 0 AEAEHN CNCc1cc(F)c(Cl)c(F)c1 108372741 573785137 /nfs/dbraw/zinc/78/51/37/573785137.db2.gz MVRMWMSKANZIRP-UHFFFAOYSA-N 0 3 191.608 2.338 10 0 AEAEHN CNCc1cc(F)cc(F)c1Cl 108372752 573785237 /nfs/dbraw/zinc/78/52/37/573785237.db2.gz ISTRBWPRFISTRQ-UHFFFAOYSA-N 0 3 191.608 2.338 10 0 AEAEHN Cc1cc(C(F)F)c(CN)nc1C 238503729 573785427 /nfs/dbraw/zinc/78/54/27/573785427.db2.gz JHAWXGUEOJGIJS-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN Cc1csc([C@@H](N)CC2CC2)n1 238503061 573785603 /nfs/dbraw/zinc/78/56/03/573785603.db2.gz LMWXEKXPAXHRGS-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN C[C@@H](N)c1cc(F)ccc1OC1CC1 108374063 573785640 /nfs/dbraw/zinc/78/56/40/573785640.db2.gz QYKIOEVVZXWROT-SSDOTTSWSA-N 0 3 195.237 2.387 10 0 AEAEHN CNCc1cc(F)cc(Cl)c1F 108372772 573785652 /nfs/dbraw/zinc/78/56/52/573785652.db2.gz VGRSSUCYILYDSZ-UHFFFAOYSA-N 0 3 191.608 2.338 10 0 AEAEHN C[NH2+]Cc1csc2cccc([O-])c12 258426099 573785823 /nfs/dbraw/zinc/78/58/23/573785823.db2.gz CBZUOYHJQAJKSH-UHFFFAOYSA-N 0 3 193.271 2.326 10 0 AEAEHN Cc1ccoc1CN[C@@H]1C[C@H]1C1CC1 308741644 573786115 /nfs/dbraw/zinc/78/61/15/573786115.db2.gz PEPWYEOASWWBBH-WDEREUQCSA-N 0 3 191.274 2.476 10 0 AEAEHN CCc1ccc([C@@H](NC)OC)cc1 259186936 573786139 /nfs/dbraw/zinc/78/61/39/573786139.db2.gz KEESNRMESXFQFL-NSHDSACASA-N 0 3 179.263 2.113 10 0 AEAEHN CC[C@H](C)n1nc(C)c(CNC)c1C 40932654 573789363 /nfs/dbraw/zinc/78/93/63/573789363.db2.gz CQGOYXIJHOCFNA-QMMMGPOBSA-N 0 3 195.310 2.190 10 0 AEAEHN CC[C@H](C)n1ncc([C@@H](C)NC)c1C 40932986 573787919 /nfs/dbraw/zinc/78/79/19/573787919.db2.gz JVAZMZKYRUZPCC-DTWKUNHWSA-N 0 3 195.310 2.443 10 0 AEAEHN Cc1ccc([C@@H]2CCNC[C@H]2F)o1 238517805 573787969 /nfs/dbraw/zinc/78/79/69/573787969.db2.gz GUIODTKDKRBTQD-RKDXNWHRSA-N 0 3 183.226 2.003 10 0 AEAEHN CC(C)Cn1cc(CNC(C)C)cn1 40932487 573788087 /nfs/dbraw/zinc/78/80/87/573788087.db2.gz LSCUCCNJPLKSFA-UHFFFAOYSA-N 0 3 195.310 2.037 10 0 AEAEHN CCCCn1cc(CNC(C)C)cn1 40932651 573788104 /nfs/dbraw/zinc/78/81/04/573788104.db2.gz FTBDIYVWQVQWQC-UHFFFAOYSA-N 0 3 195.310 2.181 10 0 AEAEHN Cc1cc(C2=NCCC2)ccc1O 238518305 573788229 /nfs/dbraw/zinc/78/82/29/573788229.db2.gz UCWMWWIKHYOKSR-UHFFFAOYSA-N 0 3 175.231 2.284 10 0 AEAEHN CC[C@@H](C)n1ncc([C@H](C)NC)c1C 40932987 573788797 /nfs/dbraw/zinc/78/87/97/573788797.db2.gz JVAZMZKYRUZPCC-BDAKNGLRSA-N 0 3 195.310 2.443 10 0 AEAEHN Cc1ccc([C@@H]2CCNC[C@H]2F)cc1 238517559 573788852 /nfs/dbraw/zinc/78/88/52/573788852.db2.gz GGXCWEUBISZOFW-NWDGAFQWSA-N 0 3 193.265 2.410 10 0 AEAEHN Cc1ccc([C@@H]2CCNC[C@@H]2F)cc1 238517010 573790667 /nfs/dbraw/zinc/79/06/67/573790667.db2.gz GGXCWEUBISZOFW-RYUDHWBXSA-N 0 3 193.265 2.410 10 0 AEAEHN CN1CCC[C@H](C(F)(F)C2CC2)C1 258942011 573789426 /nfs/dbraw/zinc/78/94/26/573789426.db2.gz CPZOUQCKPJNKEO-VIFPVBQESA-N 0 3 189.249 2.374 10 0 AEAEHN CC[C@H](C)n1cc(CNC2CC2)cn1 40932672 573789454 /nfs/dbraw/zinc/78/94/54/573789454.db2.gz SLIUERXBAJXRBU-VIFPVBQESA-N 0 3 193.294 2.106 10 0 AEAEHN Cc1cc(Cl)c2c(c1)CNCCO2 84179595 573789697 /nfs/dbraw/zinc/78/96/97/573789697.db2.gz JEEVMFDBDWPXPD-UHFFFAOYSA-N 0 3 197.665 2.130 10 0 AEAEHN CC[C@@H](C)n1cc(CNC(C)C)cn1 40932669 573789737 /nfs/dbraw/zinc/78/97/37/573789737.db2.gz HZTAQMIOQDQZOX-SNVBAGLBSA-N 0 3 195.310 2.352 10 0 AEAEHN CC[C@H](C)n1ncc([C@H](C)NC)c1C 40932988 573789750 /nfs/dbraw/zinc/78/97/50/573789750.db2.gz JVAZMZKYRUZPCC-IUCAKERBSA-N 0 3 195.310 2.443 10 0 AEAEHN Cc1ccoc1[C@@H](C)N[C@H](C)CCO 127213127 573789791 /nfs/dbraw/zinc/78/97/91/573789791.db2.gz CUMXTSMNMNGCOU-NXEZZACHSA-N 0 3 197.278 2.010 10 0 AEAEHN Cc1cc(Cl)cc2c1OCCNC2 84179556 573789890 /nfs/dbraw/zinc/78/98/90/573789890.db2.gz IAAMXZTZCCXZST-UHFFFAOYSA-N 0 3 197.665 2.130 10 0 AEAEHN CCC(CC)NCc1ncc(C)n1C 308721537 573789944 /nfs/dbraw/zinc/78/99/44/573789944.db2.gz DKNRXHBRJFEPLD-UHFFFAOYSA-N 0 3 195.310 2.007 10 0 AEAEHN Cc1cccc([C@H]2CCNC[C@H]2F)c1 238517565 573790054 /nfs/dbraw/zinc/79/00/54/573790054.db2.gz LJHVPHQKFWERIO-VXGBXAGGSA-N 0 3 193.265 2.410 10 0 AEAEHN C[C@@H]1C[C@@H]1c1ccc([C@@H]2CCN2)o1 84179091 573790171 /nfs/dbraw/zinc/79/01/71/573790171.db2.gz FQISUUVZFJBECW-VGMNWLOBSA-N 0 3 177.247 2.437 10 0 AEAEHN CC[C@@H](C)n1nc(C)c(CNC)c1C 40932653 573790316 /nfs/dbraw/zinc/79/03/16/573790316.db2.gz CQGOYXIJHOCFNA-MRVPVSSYSA-N 0 3 195.310 2.190 10 0 AEAEHN C/C=C\COc1ccccc1CNC 215378907 573790328 /nfs/dbraw/zinc/79/03/28/573790328.db2.gz WARYAPHYUURTPJ-ARJAWSKDSA-N 0 3 191.274 2.361 10 0 AEAEHN C[C@@]1(c2cc(F)ccc2F)CCN1 84179140 573790528 /nfs/dbraw/zinc/79/05/28/573790528.db2.gz PTYIVMUQELRSPZ-JTQLQIEISA-N 0 3 183.201 2.173 10 0 AEAEHN C[C@H](N[C@@H](C)[C@@H](C)O)c1ccsc1 87129711 573790821 /nfs/dbraw/zinc/79/08/21/573790821.db2.gz PVMRNBZSVREKFS-XHNCKOQMSA-N 0 3 199.319 2.168 10 0 AEAEHN Cc1csc([C@@H]2N[C@H]3CC[C@@H]2C3)n1 238517096 573790844 /nfs/dbraw/zinc/79/08/44/573790844.db2.gz XDVVCOCKNHTJDM-HRDYMLBCSA-N 0 3 194.303 2.265 10 0 AEAEHN Cc1cc(C)c2c(c1C)OCCNC2 84179559 573791358 /nfs/dbraw/zinc/79/13/58/573791358.db2.gz WWLKGOLWWFMZEO-UHFFFAOYSA-N 0 3 191.274 2.094 10 0 AEAEHN C[C@@H]([NH3+])Cc1cc2c([O-])cccc2o1 257874125 573791393 /nfs/dbraw/zinc/79/13/93/573791393.db2.gz IVOBKDDCQCXVLG-SSDOTTSWSA-N 0 3 191.230 2.028 10 0 AEAEHN C[C@@H]1C[C@H]1c1ccc([C@@H]2CCN2)o1 84179093 573791698 /nfs/dbraw/zinc/79/16/98/573791698.db2.gz FQISUUVZFJBECW-HLTSFMKQSA-N 0 3 177.247 2.437 10 0 AEAEHN C[C@@]1(c2ccc(F)cc2F)CCN1 84179088 573791870 /nfs/dbraw/zinc/79/18/70/573791870.db2.gz BYTNNCKUPZOATR-JTQLQIEISA-N 0 3 183.201 2.173 10 0 AEAEHN CC(C)(C)[C@]1(C)CC(F)(F)CN1 258945766 573791892 /nfs/dbraw/zinc/79/18/92/573791892.db2.gz RYMDSKZFTGIOOG-QMMMGPOBSA-N 0 3 177.238 2.420 10 0 AEAEHN Cc1ccoc1[C@H](C)N[C@H](C)CCO 127213356 573793322 /nfs/dbraw/zinc/79/33/22/573793322.db2.gz CUMXTSMNMNGCOU-ZJUUUORDSA-N 0 3 197.278 2.010 10 0 AEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ncc[nH]1 308727521 573793116 /nfs/dbraw/zinc/79/31/16/573793116.db2.gz HIYSRGODWSNNHV-AEJSXWLSSA-N 0 3 193.294 2.249 10 0 AEAEHN CC(C)(C)[C@@]1(C)CC(F)(F)CN1 258945761 573793152 /nfs/dbraw/zinc/79/31/52/573793152.db2.gz RYMDSKZFTGIOOG-MRVPVSSYSA-N 0 3 177.238 2.420 10 0 AEAEHN Cc1cnc(CN)c(C)c1C(F)F 238520205 573796637 /nfs/dbraw/zinc/79/66/37/573796637.db2.gz USGORJRCMLJJDI-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CCCC[C@@H]1CCC[C@H]1NC1COC1 308731754 573796652 /nfs/dbraw/zinc/79/66/52/573796652.db2.gz JTZGLVTWSNJHCK-ZYHUDNBSSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCC[C@H]1CCC[C@H]1NC1COC1 308731749 573796747 /nfs/dbraw/zinc/79/67/47/573796747.db2.gz JTZGLVTWSNJHCK-CMPLNLGQSA-N 0 3 197.322 2.334 10 0 AEAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1ncc[nH]1 308727527 573796831 /nfs/dbraw/zinc/79/68/31/573796831.db2.gz HIYSRGODWSNNHV-IVZWLZJFSA-N 0 3 193.294 2.249 10 0 AEAEHN N[C@H]1CCOc2cc(Cl)sc21 84227501 573797237 /nfs/dbraw/zinc/79/72/37/573797237.db2.gz ASGJWEQLSKLUCT-BYPYZUCNSA-N 0 3 189.667 2.184 10 0 AEAEHN CN[C@@H](Cc1ccco1)c1ccoc1 131233326 573797565 /nfs/dbraw/zinc/79/75/65/573797565.db2.gz KDXAIMJTAYXPAH-NSHDSACASA-N 0 3 191.230 2.376 10 0 AEAEHN c1cc2c(cc1OC1CCC1)CNC2 258130904 573797630 /nfs/dbraw/zinc/79/76/30/573797630.db2.gz UTGUXJZUCMFOGF-UHFFFAOYSA-N 0 3 189.258 2.221 10 0 AEAEHN C[NH2+][C@@H](C)c1cc2c([O-])cccc2o1 258128558 573798348 /nfs/dbraw/zinc/79/83/48/573798348.db2.gz JZHQPGJSSGDABE-ZETCQYMHSA-N 0 3 191.230 2.419 10 0 AEAEHN CN[C@@H](Cc1ccoc1)c1ccoc1 131232865 573798556 /nfs/dbraw/zinc/79/85/56/573798556.db2.gz VQEZADHFRFTSPK-NSHDSACASA-N 0 3 191.230 2.376 10 0 AEAEHN CN[C@H](C)c1cnc(C2CCC2)o1 258130934 573800464 /nfs/dbraw/zinc/80/04/64/573800464.db2.gz PFTNSUZLJYPXKP-SSDOTTSWSA-N 0 3 180.251 2.223 10 0 AEAEHN C[C@@H]1NC[C@@H](CC(C)(C)C)O[C@@H]1C 87148587 573800657 /nfs/dbraw/zinc/80/06/57/573800657.db2.gz MXRPCANJSPSBOF-IVZWLZJFSA-N 0 3 185.311 2.188 10 0 AEAEHN CCC(CC)[C@@H]1CN[C@H](C)[C@H](C)O1 87148653 573802011 /nfs/dbraw/zinc/80/20/11/573802011.db2.gz SJMMTPNNFQJTAN-YWVKMMECSA-N 0 3 185.311 2.188 10 0 AEAEHN Nc1cc(F)ccc1CNC1CCC1 258131518 573805772 /nfs/dbraw/zinc/80/57/72/573805772.db2.gz NUONSAOWNQXIGX-UHFFFAOYSA-N 0 3 194.253 2.050 10 0 AEAEHN CC(C)(C)c1ccc(OC(=N)N)cc1 238124089 573811224 /nfs/dbraw/zinc/81/12/24/573811224.db2.gz JNZPWPBFYPYMJG-UHFFFAOYSA-N 0 3 192.262 2.256 10 0 AEAEHN CN[C@@H](C)[C@@H](F)Cc1ccccc1 257879141 573811058 /nfs/dbraw/zinc/81/10/58/573811058.db2.gz LRHCPNVJFXHTIK-ONGXEEELSA-N 0 3 181.254 2.175 10 0 AEAEHN CN1CC[C@H](CC2CCC(=O)CC2)C1 259199846 573812914 /nfs/dbraw/zinc/81/29/14/573812914.db2.gz RTPLLKZHPDEMEV-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN Cc1cccc([C@@H](N)COC(C)C)c1 41046939 573813419 /nfs/dbraw/zinc/81/34/19/573813419.db2.gz BPYLGGSJMICTOG-LBPRGKRZSA-N 0 3 193.290 2.420 10 0 AEAEHN CN(C)Cc1cc2ccc(F)cc2[nH]1 258140205 573814501 /nfs/dbraw/zinc/81/45/01/573814501.db2.gz VWXYBKQRPPYHJG-UHFFFAOYSA-N 0 3 192.237 2.369 10 0 AEAEHN CC(C)(C)c1ncc(Cl)cc1CN 238132315 573814752 /nfs/dbraw/zinc/81/47/52/573814752.db2.gz TZAFMBCEWXCMDT-UHFFFAOYSA-N 0 3 198.697 2.491 10 0 AEAEHN Cc1nc([C@@H]2CCN(C)C2)sc1C 259200836 573815149 /nfs/dbraw/zinc/81/51/49/573815149.db2.gz HKDVPVWLTQEFLL-SECBINFHSA-N 0 3 196.319 2.179 10 0 AEAEHN Cc1nc([C@H]2CCN(C)C2)sc1C 259200843 573815255 /nfs/dbraw/zinc/81/52/55/573815255.db2.gz HKDVPVWLTQEFLL-VIFPVBQESA-N 0 3 196.319 2.179 10 0 AEAEHN CN1CC[C@@H](CC2CCC(=O)CC2)C1 259199848 573815637 /nfs/dbraw/zinc/81/56/37/573815637.db2.gz RTPLLKZHPDEMEV-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN C=Cn1cc(CNCC/C=C\C)cn1 308444246 573815742 /nfs/dbraw/zinc/81/57/42/573815742.db2.gz JRSUQUYOMZRBBO-HYXAFXHYSA-N 0 3 191.278 2.039 10 0 AEAEHN COc1c(SC)cccc1[C@@H](C)N 258140873 573815942 /nfs/dbraw/zinc/81/59/42/573815942.db2.gz SKNASVWEVSORJZ-SSDOTTSWSA-N 0 3 197.303 2.437 10 0 AEAEHN Cc1cn(C(C)C)c(CNC(C)C)n1 257881262 573816060 /nfs/dbraw/zinc/81/60/60/573816060.db2.gz KENSWZLOLWVPBO-UHFFFAOYSA-N 0 3 195.310 2.270 10 0 AEAEHN CN[C@H](c1ccnc(C)n1)C(C)(C)C 125181866 573818814 /nfs/dbraw/zinc/81/88/14/573818814.db2.gz XJCMZIVTNOFWTR-SNVBAGLBSA-N 0 3 193.294 2.092 10 0 AEAEHN Cc1cc(F)c([C@@H](C)N)cc1F 87188856 573816536 /nfs/dbraw/zinc/81/65/36/573816536.db2.gz PRYWEBRITCUYOD-ZCFIWIBFSA-N 0 3 171.190 2.293 10 0 AEAEHN CC[C@H]1CCC[C@H](NC2COC2)CC1 87195005 573816804 /nfs/dbraw/zinc/81/68/04/573816804.db2.gz STBYEKOHIHALLD-QWRGUYRKSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H]1CCC[C@@H](NC2COC2)CC1 87195007 573816989 /nfs/dbraw/zinc/81/69/89/573816989.db2.gz STBYEKOHIHALLD-WDEREUQCSA-N 0 3 197.322 2.334 10 0 AEAEHN CCNCc1cc(F)c(C)cc1F 87189069 573817320 /nfs/dbraw/zinc/81/73/20/573817320.db2.gz SQWSUZBPQJIGDM-UHFFFAOYSA-N 0 3 185.217 2.383 10 0 AEAEHN C[NH2+][C@H](C)c1coc2cccc([O-])c12 258147029 573817389 /nfs/dbraw/zinc/81/73/89/573817389.db2.gz LEBOGCVFZHJQJV-SSDOTTSWSA-N 0 3 191.230 2.419 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cc(N)ccc1F 238137557 573817756 /nfs/dbraw/zinc/81/77/56/573817756.db2.gz HKRRGSAVHHVHQW-JTQLQIEISA-N 0 3 196.269 2.454 10 0 AEAEHN NC1(c2nc(C3CCC3)c[nH]2)CCC1 257883464 573817865 /nfs/dbraw/zinc/81/78/65/573817865.db2.gz VWFJYVAYZNKWDA-UHFFFAOYSA-N 0 3 191.278 2.015 10 0 AEAEHN C[C@H]1C[C@H](NC2COC2)CC(C)(C)C1 87195032 573818017 /nfs/dbraw/zinc/81/80/17/573818017.db2.gz BCAVJYOQIMZISU-UWVGGRQHSA-N 0 3 197.322 2.190 10 0 AEAEHN CC[C@@H](C)c1ccc(CNCO)cc1 258963597 573818140 /nfs/dbraw/zinc/81/81/40/573818140.db2.gz UAUGMHMLAYLWBZ-SNVBAGLBSA-N 0 3 193.290 2.240 10 0 AEAEHN Cc1cc(F)c([C@H](C)N)cc1F 87188858 573818227 /nfs/dbraw/zinc/81/82/27/573818227.db2.gz PRYWEBRITCUYOD-LURJTMIESA-N 0 3 171.190 2.293 10 0 AEAEHN CC(C)C1CCC(NC2COC2)CC1 87194882 573818376 /nfs/dbraw/zinc/81/83/76/573818376.db2.gz FKXRYCYZBDAKFJ-UHFFFAOYSA-N 0 3 197.322 2.190 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cc(O)cc(O)c1 238137676 573818451 /nfs/dbraw/zinc/81/84/51/573818451.db2.gz STEFSQJEXXXTDG-JTQLQIEISA-N 0 3 195.262 2.144 10 0 AEAEHN CNC[C@@](C)(F)Cc1cccc(C)c1 257885367 573818452 /nfs/dbraw/zinc/81/84/52/573818452.db2.gz WEJFDFHLWOQRKM-LBPRGKRZSA-N 0 3 195.281 2.485 10 0 AEAEHN CC[C@@H]1CCC[C@@H](NC2COC2)CC1 87195006 573820447 /nfs/dbraw/zinc/82/04/47/573820447.db2.gz STBYEKOHIHALLD-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN CNC[C@](C)(F)Cc1cccc(C)c1 257885365 573819748 /nfs/dbraw/zinc/81/97/48/573819748.db2.gz WEJFDFHLWOQRKM-GFCCVEGCSA-N 0 3 195.281 2.485 10 0 AEAEHN C[C@H](O)C[C@H](c1ccccc1)N(C)C 308446773 573819786 /nfs/dbraw/zinc/81/97/86/573819786.db2.gz MZCUSPBLXSOEOZ-CMPLNLGQSA-N 0 3 193.290 2.060 10 0 AEAEHN CC[C@@H]1CCC[C@H](NC2COC2)CC1 87195004 573819845 /nfs/dbraw/zinc/81/98/45/573819845.db2.gz STBYEKOHIHALLD-MNOVXSKESA-N 0 3 197.322 2.334 10 0 AEAEHN Fc1ccccc1[C@@H]1NCC2CC1C2 257883468 573820035 /nfs/dbraw/zinc/82/00/35/573820035.db2.gz VWFSFCYXKUIYIS-SHVIVCPWSA-N 0 3 191.249 2.496 10 0 AEAEHN CC1(C)CCC[C@@H](NC2COC2)CC1 87194644 573820194 /nfs/dbraw/zinc/82/01/94/573820194.db2.gz KZCNCXQCKPFAPH-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN C[NH2+][C@@H](C)c1coc2cccc([O-])c12 258147037 573820224 /nfs/dbraw/zinc/82/02/24/573820224.db2.gz LEBOGCVFZHJQJV-ZETCQYMHSA-N 0 3 191.230 2.419 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cc(O)ccc1N 238137786 573820290 /nfs/dbraw/zinc/82/02/90/573820290.db2.gz VCRUHPDYFVAWBT-JTQLQIEISA-N 0 3 194.278 2.020 10 0 AEAEHN CC[C@H](C)c1ccc(CNCO)cc1 258963596 573821594 /nfs/dbraw/zinc/82/15/94/573821594.db2.gz UAUGMHMLAYLWBZ-JTQLQIEISA-N 0 3 193.290 2.240 10 0 AEAEHN CC(C)[C@@]1(C)CC(F)(F)CN1 258145584 573821668 /nfs/dbraw/zinc/82/16/68/573821668.db2.gz ROKSLDSKCLZOCF-SSDOTTSWSA-N 0 3 163.211 2.030 10 0 AEAEHN Cc1cc([C@H]2CCN2)c(Cl)cc1N 238524277 573821868 /nfs/dbraw/zinc/82/18/68/573821868.db2.gz ZCFSRDLVCVTIEO-SNVBAGLBSA-N 0 3 196.681 2.265 10 0 AEAEHN C[C@@H](O)C[C@H](c1ccccc1)N(C)C 308446776 573822337 /nfs/dbraw/zinc/82/23/37/573822337.db2.gz MZCUSPBLXSOEOZ-ZYHUDNBSSA-N 0 3 193.290 2.060 10 0 AEAEHN FCCCCCNCc1ccccn1 308447300 573821903 /nfs/dbraw/zinc/82/19/03/573821903.db2.gz BCPDRKKZZICDQU-UHFFFAOYSA-N 0 3 196.269 2.311 10 0 AEAEHN Cc1nccc2c1C=C[C@@H]1C=CN[C@H]21 238524796 573824168 /nfs/dbraw/zinc/82/41/68/573824168.db2.gz FIYXFJRRRAYBPY-SKDRFNHKSA-N 0 3 184.242 2.191 10 0 AEAEHN C[C@@]1(c2ccccc2F)C[C@H](F)CN1 258149253 573823928 /nfs/dbraw/zinc/82/39/28/573823928.db2.gz RXUOYJIMTHSHIJ-KWQFWETISA-N 0 3 197.228 2.372 10 0 AEAEHN Cc1cc([C@H]2CCNC[C@H]2F)oc1C 238525352 573825200 /nfs/dbraw/zinc/82/52/00/573825200.db2.gz YQBRPRBNGIYFLR-VHSXEESVSA-N 0 3 197.253 2.311 10 0 AEAEHN CCCCNCc1cc(C2CC2)n[nH]1 41058936 573827927 /nfs/dbraw/zinc/82/79/27/573827927.db2.gz PFCYQGFIAWWYOX-UHFFFAOYSA-N 0 3 193.294 2.177 10 0 AEAEHN CC[C@H](C)[C@H](NC)c1coc(C)n1 393592837 573827969 /nfs/dbraw/zinc/82/79/69/573827969.db2.gz YPBSXKOZXINOQE-XVKPBYJWSA-N 0 3 182.267 2.290 10 0 AEAEHN CCn1ncc([C@H](C)NC)c1C(C)C 257884607 573828116 /nfs/dbraw/zinc/82/81/16/573828116.db2.gz WANMIAMODPPEQO-VIFPVBQESA-N 0 3 195.310 2.307 10 0 AEAEHN CN[C@H](C)c1onc2c(F)cccc12 257886473 573828541 /nfs/dbraw/zinc/82/85/41/573828541.db2.gz WHLRQYVWTLULGN-ZCFIWIBFSA-N 0 3 194.209 2.247 10 0 AEAEHN NC[C@@H]1CC(C2CCCCCC2)=NO1 84328957 573828638 /nfs/dbraw/zinc/82/86/38/573828638.db2.gz MIIOSXLBOBRSDB-JTQLQIEISA-N 0 3 196.294 2.060 10 0 AEAEHN CC[C@H](C)[C@@H](NC)c1coc(C)n1 393592835 573828654 /nfs/dbraw/zinc/82/86/54/573828654.db2.gz YPBSXKOZXINOQE-OIBJUYFYSA-N 0 3 182.267 2.290 10 0 AEAEHN CC[C@@H](C)[C@H](NC)c1coc(C)n1 393592836 573828941 /nfs/dbraw/zinc/82/89/41/573828941.db2.gz YPBSXKOZXINOQE-XCBNKYQSSA-N 0 3 182.267 2.290 10 0 AEAEHN CCN(CCO)[C@H](C)c1cccs1 393593019 573829213 /nfs/dbraw/zinc/82/92/13/573829213.db2.gz ZIKCNMBADVAKIV-SECBINFHSA-N 0 3 199.319 2.123 10 0 AEAEHN Cc1cc(Cl)c2c(c1)OCC[C@H]2N 238533090 573833346 /nfs/dbraw/zinc/83/33/46/573833346.db2.gz IYZMYDKTMRIPHI-MRVPVSSYSA-N 0 3 197.665 2.431 10 0 AEAEHN CN[C@H](C)c1cc(F)c(C)cc1OC 87225008 573832723 /nfs/dbraw/zinc/83/27/23/573832723.db2.gz FPUJDPBVMZCWIO-MRVPVSSYSA-N 0 3 197.253 2.423 10 0 AEAEHN CC[C@H](C)[C@H](NC)c1nccs1 41060439 573832769 /nfs/dbraw/zinc/83/27/69/573832769.db2.gz FNLDRANEQVQSDG-YUMQZZPRSA-N 0 3 184.308 2.450 10 0 AEAEHN Cc1ccc(C(C)C)cc1CNCO 258965055 573832813 /nfs/dbraw/zinc/83/28/13/573832813.db2.gz UDMFZCXHBBBZQB-UHFFFAOYSA-N 0 3 193.290 2.158 10 0 AEAEHN Cc1cc(F)c([C@H]2CCN2)cc1F 87220896 573833181 /nfs/dbraw/zinc/83/31/81/573833181.db2.gz KLUYGKKVVQUZES-SNVBAGLBSA-N 0 3 183.201 2.308 10 0 AEAEHN CC[C@H](C)[C@@H](NC)c1nccs1 41060441 573833201 /nfs/dbraw/zinc/83/32/01/573833201.db2.gz FNLDRANEQVQSDG-JGVFFNPUSA-N 0 3 184.308 2.450 10 0 AEAEHN C[C@@H]1CNC[C@@H](C2CCCCCC2)O1 84330714 573833521 /nfs/dbraw/zinc/83/35/21/573833521.db2.gz TWQDBQHPFVTTRI-PWSUYJOCSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1cc(F)c([C@@H]2CCN2)cc1F 87220894 573833891 /nfs/dbraw/zinc/83/38/91/573833891.db2.gz KLUYGKKVVQUZES-JTQLQIEISA-N 0 3 183.201 2.308 10 0 AEAEHN Cn1ccc(CNCC2(F)CCC2)c1 308764638 573834259 /nfs/dbraw/zinc/83/42/59/573834259.db2.gz ZVIZKCJEKLIMIT-UHFFFAOYSA-N 0 3 196.269 2.007 10 0 AEAEHN CC[NH2+]Cc1coc2cccc([O-])c12 258432048 573834316 /nfs/dbraw/zinc/83/43/16/573834316.db2.gz CHRGVABRICYIRP-UHFFFAOYSA-N 0 3 191.230 2.248 10 0 AEAEHN Fc1cc([C@@H]2CCCCN2)co1 238531838 573834356 /nfs/dbraw/zinc/83/43/56/573834356.db2.gz YEYDJXIRMVVDOV-QMMMGPOBSA-N 0 3 169.199 2.233 10 0 AEAEHN CN[C@H](c1cscn1)C(C)C 84331897 573834396 /nfs/dbraw/zinc/83/43/96/573834396.db2.gz NQABHWXZXBPQNC-QMMMGPOBSA-N 0 3 170.281 2.060 10 0 AEAEHN Cc1cc(Cl)c2c(c1)OC[C@H]2N 238533106 573836121 /nfs/dbraw/zinc/83/61/21/573836121.db2.gz MVJIPPNGAAFMIL-SSDOTTSWSA-N 0 3 183.638 2.041 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccc(N)cc1F 238140780 573836206 /nfs/dbraw/zinc/83/62/06/573836206.db2.gz JCXNDSXEWHRLCP-JTQLQIEISA-N 0 3 196.269 2.454 10 0 AEAEHN CC(C)C[C@@H]1CC(=O)CC(C)(C)N1 238155397 573836326 /nfs/dbraw/zinc/83/63/26/573836326.db2.gz SNCUZEOFDOIQBS-SECBINFHSA-N 0 3 183.295 2.132 10 0 AEAEHN Cc1nn(C(C)C)c(C)c1[C@H](F)CN 258153433 573836638 /nfs/dbraw/zinc/83/66/38/573836638.db2.gz SGGNBWCNQANUJB-SECBINFHSA-N 0 3 199.273 2.050 10 0 AEAEHN Cc1ncc([C@@H](N)C(C)C)s1 84331900 573836741 /nfs/dbraw/zinc/83/67/41/573836741.db2.gz WSUJCPWRPMVZRK-QMMMGPOBSA-N 0 3 170.281 2.107 10 0 AEAEHN C[C@H]1CNC[C@H](C2CCCCCC2)O1 84330713 573836803 /nfs/dbraw/zinc/83/68/03/573836803.db2.gz TWQDBQHPFVTTRI-CMPLNLGQSA-N 0 3 197.322 2.334 10 0 AEAEHN CN[C@@H](c1cscn1)C(C)C 84331898 573836822 /nfs/dbraw/zinc/83/68/22/573836822.db2.gz NQABHWXZXBPQNC-MRVPVSSYSA-N 0 3 170.281 2.060 10 0 AEAEHN Cc1cccc2c3c([nH]c12)C=NCC3 238533595 573837091 /nfs/dbraw/zinc/83/70/91/573837091.db2.gz FWVUWXYZECUNSC-UHFFFAOYSA-N 0 3 184.242 2.451 10 0 AEAEHN CCN[C@H](C)c1c(CC)noc1C 308451677 573837092 /nfs/dbraw/zinc/83/70/92/573837092.db2.gz DPDULEOMRJXUBM-SSDOTTSWSA-N 0 3 182.267 2.216 10 0 AEAEHN Cc1cc(Cl)c2c(c1)OCC[C@@H]2N 238533048 573837114 /nfs/dbraw/zinc/83/71/14/573837114.db2.gz IYZMYDKTMRIPHI-QMMMGPOBSA-N 0 3 197.665 2.431 10 0 AEAEHN Cc1cccc2[nH]c3c(c12)CCN=C3 238532335 573837136 /nfs/dbraw/zinc/83/71/36/573837136.db2.gz AYQBPZSODZMEME-UHFFFAOYSA-N 0 3 184.242 2.451 10 0 AEAEHN CNC(C)(C)c1ccc(Cl)o1 84332665 573837261 /nfs/dbraw/zinc/83/72/61/573837261.db2.gz XBXXCQYAFBJBQQ-UHFFFAOYSA-N 0 3 173.643 2.388 10 0 AEAEHN C[C@@]1([C@@H](N)c2ccccc2)CCCO1 87227872 573838221 /nfs/dbraw/zinc/83/82/21/573838221.db2.gz IDLGHEQZMGALPE-RYUDHWBXSA-N 0 3 191.274 2.256 10 0 AEAEHN C[C@]1([C@H](N)c2cccs2)CCCO1 87227961 573838267 /nfs/dbraw/zinc/83/82/67/573838267.db2.gz SSWGFXSHHISRFI-NXEZZACHSA-N 0 3 197.303 2.317 10 0 AEAEHN CN[C@H](c1csc(C)n1)C1CC1 84343678 573839862 /nfs/dbraw/zinc/83/98/62/573839862.db2.gz DUVSUDCAWXHYFU-VIFPVBQESA-N 0 3 182.292 2.122 10 0 AEAEHN CN(c1ccncc1)[C@@H]1CCC[C@@H]1F 585297185 573839487 /nfs/dbraw/zinc/83/94/87/573839487.db2.gz XNVYEUDIAKBWAN-WDEREUQCSA-N 0 3 194.253 2.408 10 0 AEAEHN CN[C@H](c1csc(C)n1)C(C)C 84345363 573839489 /nfs/dbraw/zinc/83/94/89/573839489.db2.gz HPRUCUXDBOEEBS-VIFPVBQESA-N 0 3 184.308 2.368 10 0 AEAEHN C[C@@]1([C@H](N)c2ccsc2)CCCO1 87228182 573839637 /nfs/dbraw/zinc/83/96/37/573839637.db2.gz GTMFLMPZBYVICB-ZJUUUORDSA-N 0 3 197.303 2.317 10 0 AEAEHN CN[C@@H](c1ccco1)[C@]1(C)CCCO1 87228512 573839721 /nfs/dbraw/zinc/83/97/21/573839721.db2.gz FWWXDYVLLWZDJQ-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN Cc1cc(Cl)cc(C2(N)CC2)c1N 238535392 573840591 /nfs/dbraw/zinc/84/05/91/573840591.db2.gz QETWNMACHIZOFV-UHFFFAOYSA-N 0 3 196.681 2.178 10 0 AEAEHN c1ccc(S[C@@H]2CCCN2)cc1 257887303 573840748 /nfs/dbraw/zinc/84/07/48/573840748.db2.gz MVBUMJHVVLVOLV-SNVBAGLBSA-N 0 3 179.288 2.488 10 0 AEAEHN Cc1cc([C@H]2CCC[NH2+]2)c(F)cc1[O-] 258150501 573840768 /nfs/dbraw/zinc/84/07/68/573840768.db2.gz TZHQYMCMGUJQFR-SNVBAGLBSA-N 0 3 195.237 2.264 10 0 AEAEHN C[C@]1([C@H](N)c2ccsc2)CCCO1 87228181 573840903 /nfs/dbraw/zinc/84/09/03/573840903.db2.gz GTMFLMPZBYVICB-NXEZZACHSA-N 0 3 197.303 2.317 10 0 AEAEHN Cc1cc(C)c(C(F)F)nc1CN 238535521 573840935 /nfs/dbraw/zinc/84/09/35/573840935.db2.gz FPZWJUGSEYEUDZ-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN C[C@]1([C@@H](N)c2ccccc2)CCCO1 87227871 573840946 /nfs/dbraw/zinc/84/09/46/573840946.db2.gz IDLGHEQZMGALPE-NWDGAFQWSA-N 0 3 191.274 2.256 10 0 AEAEHN CN[C@@H](c1ccoc1)[C@@]1(C)CCCO1 87228435 573841029 /nfs/dbraw/zinc/84/10/29/573841029.db2.gz XSHYSZBITMCILZ-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN C[C@]1([C@@H](N)c2ccsc2)CCCO1 87228183 573841219 /nfs/dbraw/zinc/84/12/19/573841219.db2.gz GTMFLMPZBYVICB-VHSXEESVSA-N 0 3 197.303 2.317 10 0 AEAEHN [NH3+]C1(Cc2ccc(Cl)cc2[O-])CC1 258150621 573841254 /nfs/dbraw/zinc/84/12/54/573841254.db2.gz UBVOAMJNDLVIBZ-UHFFFAOYSA-N 0 3 197.665 2.079 10 0 AEAEHN Cc1nc(C)c([C@@H](N)C(C)C)s1 84345378 573841473 /nfs/dbraw/zinc/84/14/73/573841473.db2.gz YAYKZDIBYOJASK-QMMMGPOBSA-N 0 3 184.308 2.416 10 0 AEAEHN Cc1nc(C)c([C@@H](N)C2CC2)s1 84343723 573842700 /nfs/dbraw/zinc/84/27/00/573842700.db2.gz VTQISSBQWMVYLB-QMMMGPOBSA-N 0 3 182.292 2.170 10 0 AEAEHN CC(C)C[C@H]1CC[C@@]2(C)NCCN2C1 238158455 573842738 /nfs/dbraw/zinc/84/27/38/573842738.db2.gz CGROSEWKMFJOPD-NEPJUHHUSA-N 0 3 196.338 2.064 10 0 AEAEHN CC1CCC([C@H]2CNC[C@H](C)O2)CC1 84340169 573842811 /nfs/dbraw/zinc/84/28/11/573842811.db2.gz XHNCTTWEYSEGHQ-POSLAHMBSA-N 0 3 197.322 2.190 10 0 AEAEHN Cc1cc([C@@H]2CCC[NH2+]2)c(F)cc1[O-] 258150499 573842992 /nfs/dbraw/zinc/84/29/92/573842992.db2.gz TZHQYMCMGUJQFR-JTQLQIEISA-N 0 3 195.237 2.264 10 0 AEAEHN CCc1cc(CN)nn1C1CCCC1 259623336 573843054 /nfs/dbraw/zinc/84/30/54/573843054.db2.gz FPWWRLJVTUMQEX-UHFFFAOYSA-N 0 3 193.294 2.019 10 0 AEAEHN CC1CCC([C@@H]2CNC[C@@H](C)O2)CC1 84340171 573843056 /nfs/dbraw/zinc/84/30/56/573843056.db2.gz XHNCTTWEYSEGHQ-RSJDFQLWSA-N 0 3 197.322 2.190 10 0 AEAEHN CN(c1ccncc1)[C@@H]1CCC[C@H]1F 585297182 573843063 /nfs/dbraw/zinc/84/30/63/573843063.db2.gz XNVYEUDIAKBWAN-GHMZBOCLSA-N 0 3 194.253 2.408 10 0 AEAEHN CC1CCC([C@H]2CNC[C@@H](C)O2)CC1 84340173 573843273 /nfs/dbraw/zinc/84/32/73/573843273.db2.gz XHNCTTWEYSEGHQ-RUJICJSRSA-N 0 3 197.322 2.190 10 0 AEAEHN CC1CCC([C@@H]2CNC[C@H](C)O2)CC1 84340167 573843229 /nfs/dbraw/zinc/84/32/29/573843229.db2.gz XHNCTTWEYSEGHQ-ADPBJBESSA-N 0 3 197.322 2.190 10 0 AEAEHN CN(c1ccncc1)[C@H]1CCC[C@H]1F 585297183 573843445 /nfs/dbraw/zinc/84/34/45/573843445.db2.gz XNVYEUDIAKBWAN-MNOVXSKESA-N 0 3 194.253 2.408 10 0 AEAEHN N[C@H](c1cncs1)C1CCCC1 84343683 573843454 /nfs/dbraw/zinc/84/34/54/573843454.db2.gz APDFYDJDEJVKFS-VIFPVBQESA-N 0 3 182.292 2.333 10 0 AEAEHN CN(c1ccncc1)[C@H]1CCC[C@@H]1F 585297184 573843621 /nfs/dbraw/zinc/84/36/21/573843621.db2.gz XNVYEUDIAKBWAN-QWRGUYRKSA-N 0 3 194.253 2.408 10 0 AEAEHN CN[C@@H](c1csc(C)n1)C1CC1 84343674 573843704 /nfs/dbraw/zinc/84/37/04/573843704.db2.gz DUVSUDCAWXHYFU-SECBINFHSA-N 0 3 182.292 2.122 10 0 AEAEHN N[C@H](c1cscn1)C1CCCC1 84343688 573843938 /nfs/dbraw/zinc/84/39/38/573843938.db2.gz PBNUYBSVMDGWJQ-VIFPVBQESA-N 0 3 182.292 2.333 10 0 AEAEHN CN[C@H](C)c1cnc(-c2ccco2)o1 258159996 573844750 /nfs/dbraw/zinc/84/47/50/573844750.db2.gz QXNMQFGQLYUZOX-SSDOTTSWSA-N 0 3 192.218 2.215 10 0 AEAEHN Clc1cnc([C@@H]2CCCN2)s1 84348827 573845362 /nfs/dbraw/zinc/84/53/62/573845362.db2.gz HABOQPPSIWEKCM-YFKPBYRVSA-N 0 3 188.683 2.221 10 0 AEAEHN CN[C@@H](C)c1cnc(-c2ccco2)o1 258159999 573848213 /nfs/dbraw/zinc/84/82/13/573848213.db2.gz QXNMQFGQLYUZOX-ZETCQYMHSA-N 0 3 192.218 2.215 10 0 AEAEHN Cc1cccc2c1[C@](F)(CN)CC2 257888207 573848896 /nfs/dbraw/zinc/84/88/96/573848896.db2.gz NAGQGLXNJFHDTB-LLVKDONJSA-N 0 3 179.238 2.065 10 0 AEAEHN Clc1cnc([C@H]2CCCN2)s1 84348832 573848277 /nfs/dbraw/zinc/84/82/77/573848277.db2.gz HABOQPPSIWEKCM-RXMQYKEDSA-N 0 3 188.683 2.221 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1ccc(F)cc1 257888126 573848329 /nfs/dbraw/zinc/84/83/29/573848329.db2.gz MXPZDQIPGYUXKC-XVKPBYJWSA-N 0 3 185.217 2.444 10 0 AEAEHN CN[C@H](C)[C@H](F)c1ccc(F)cc1 257888124 573849818 /nfs/dbraw/zinc/84/98/18/573849818.db2.gz MXPZDQIPGYUXKC-XCBNKYQSSA-N 0 3 185.217 2.444 10 0 AEAEHN Cc1cc(Cl)c([O-])c(C2C[NH2+]C2)c1 238531056 573850169 /nfs/dbraw/zinc/85/01/69/573850169.db2.gz WSYDLQWUCHKHFV-UHFFFAOYSA-N 0 3 197.665 2.041 10 0 AEAEHN CCC1CCC(N2CC(C)(O)C2)CC1 84356632 573850483 /nfs/dbraw/zinc/85/04/83/573850483.db2.gz XRQAFFXGYFGEBB-UHFFFAOYSA-N 0 3 197.322 2.022 10 0 AEAEHN CC[C@H]1CCCC[C@H]1N1CC(C)(O)C1 84356403 573851459 /nfs/dbraw/zinc/85/14/59/573851459.db2.gz DXRRRDOOAWJAOB-WDEREUQCSA-N 0 3 197.322 2.022 10 0 AEAEHN CNCc1cc2c(OC)cccc2o1 258154571 573851570 /nfs/dbraw/zinc/85/15/70/573851570.db2.gz LMSGCGUHUDSIOV-UHFFFAOYSA-N 0 3 191.230 2.161 10 0 AEAEHN C[C@]1(CNc2ccncc2)CCCO1 87256200 573851952 /nfs/dbraw/zinc/85/19/52/573851952.db2.gz MPUSTKSFKYMNMZ-LLVKDONJSA-N 0 3 192.262 2.063 10 0 AEAEHN CCCN[C@H](c1coc(C)n1)C1CC1 308455543 573852080 /nfs/dbraw/zinc/85/20/80/573852080.db2.gz DRWCMCKHQUGMSO-NSHDSACASA-N 0 3 194.278 2.434 10 0 AEAEHN CCCN[C@@H](C)c1ncccc1C 43616935 573852315 /nfs/dbraw/zinc/85/23/15/573852315.db2.gz JPARNJGFJRRRFZ-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CC[C@H]1CCCC[C@@H]1N1CC(C)(O)C1 84356396 573852384 /nfs/dbraw/zinc/85/23/84/573852384.db2.gz DXRRRDOOAWJAOB-QWRGUYRKSA-N 0 3 197.322 2.022 10 0 AEAEHN CCn1nc([C@@H](C)N)cc1C(C)(C)C 257887556 573854495 /nfs/dbraw/zinc/85/44/95/573854495.db2.gz WONCQYJEZVXNBB-MRVPVSSYSA-N 0 3 195.310 2.220 10 0 AEAEHN CC[C@@H]1CCC[C@@H](N2CC(C)(O)C2)C1 84357589 573853608 /nfs/dbraw/zinc/85/36/08/573853608.db2.gz FWUPOPGDAWNCIV-GHMZBOCLSA-N 0 3 197.322 2.022 10 0 AEAEHN CC[C@H]1CCC[C@H](N2CC(C)(O)C2)C1 84357585 573853628 /nfs/dbraw/zinc/85/36/28/573853628.db2.gz FWUPOPGDAWNCIV-QWRGUYRKSA-N 0 3 197.322 2.022 10 0 AEAEHN CC[C@@H]1CCC[C@H](N2CC(C)(O)C2)C1 84357584 573854079 /nfs/dbraw/zinc/85/40/79/573854079.db2.gz FWUPOPGDAWNCIV-MNOVXSKESA-N 0 3 197.322 2.022 10 0 AEAEHN CC1(C)CCN(CC(=O)C(C)(C)C)C1 87256907 573854192 /nfs/dbraw/zinc/85/41/92/573854192.db2.gz CKDBWXXDPMTEGD-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCN[C@@H](c1coc(C)n1)C1CC1 308455541 573854205 /nfs/dbraw/zinc/85/42/05/573854205.db2.gz DRWCMCKHQUGMSO-LLVKDONJSA-N 0 3 194.278 2.434 10 0 AEAEHN CC1(C)CCN([C@@H]2CCCCC2=O)C1 87256880 573856198 /nfs/dbraw/zinc/85/61/98/573856198.db2.gz QBLMDZFFGLNBKV-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCC(C)(C)C1 87256855 573855404 /nfs/dbraw/zinc/85/54/04/573855404.db2.gz ZUPZCFMGZDXWFP-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC1(O)CN(C2CCC(C)CC2)C1 84359879 573856219 /nfs/dbraw/zinc/85/62/19/573856219.db2.gz ARVWRPPMHBQSLD-UHFFFAOYSA-N 0 3 197.322 2.022 10 0 AEAEHN CC(C)[C@H](N)c1[nH]ccc1Cl 238167105 573856008 /nfs/dbraw/zinc/85/60/08/573856008.db2.gz HOMOAQOQVKWQLQ-ZETCQYMHSA-N 0 3 172.659 2.324 10 0 AEAEHN CCc1ncc2cc(C)ccn12 258156792 573856235 /nfs/dbraw/zinc/85/62/35/573856235.db2.gz IBQKFVFRWGBNQE-UHFFFAOYSA-N 0 3 160.220 2.205 10 0 AEAEHN Cn1cc(-c2ccccc2)cc1CN 259211177 573857007 /nfs/dbraw/zinc/85/70/07/573857007.db2.gz NUPUFPKJURNERV-UHFFFAOYSA-N 0 3 186.258 2.151 10 0 AEAEHN CCCC1(O)CN(CC2CCCC2)C1 84363889 573857986 /nfs/dbraw/zinc/85/79/86/573857986.db2.gz IWKHGWBZEFDFSV-UHFFFAOYSA-N 0 3 197.322 2.023 10 0 AEAEHN [NH3+]CCCc1cc2c([O-])cccc2o1 257890068 573857817 /nfs/dbraw/zinc/85/78/17/573857817.db2.gz LBNSHAHJEZOPEY-UHFFFAOYSA-N 0 3 191.230 2.030 10 0 AEAEHN C[C@@]1(C2CC2)CNc2cnccc2N1 87261845 573859391 /nfs/dbraw/zinc/85/93/91/573859391.db2.gz XKVIGOFCVLFYTJ-NSHDSACASA-N 0 3 189.262 2.088 10 0 AEAEHN CCC1(CC)CNc2cnccc2N1 87261880 573859572 /nfs/dbraw/zinc/85/95/72/573859572.db2.gz JTTXDGBNFFLEMP-UHFFFAOYSA-N 0 3 191.278 2.478 10 0 AEAEHN CC(C)C[C@@H]1CNc2cnccc2N1 87260914 573859689 /nfs/dbraw/zinc/85/96/89/573859689.db2.gz AIDONBUJIKSFFO-SECBINFHSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@@H](C)N1CCNc2cnccc21 87262102 573860165 /nfs/dbraw/zinc/86/01/65/573860165.db2.gz FKKBBWMPDDHYKJ-SECBINFHSA-N 0 3 191.278 2.112 10 0 AEAEHN CC(C)(C)[C@H](N)c1cc(O)cc(O)c1 238172755 573860301 /nfs/dbraw/zinc/86/03/01/573860301.db2.gz STEFSQJEXXXTDG-SNVBAGLBSA-N 0 3 195.262 2.144 10 0 AEAEHN CC(C)C1(O)CN(C2CCCCC2)C1 84376720 573860405 /nfs/dbraw/zinc/86/04/05/573860405.db2.gz BHKYLOMNFVMUCD-UHFFFAOYSA-N 0 3 197.322 2.022 10 0 AEAEHN CCCC[C@H]1CNc2cnccc2N1 87261009 573860426 /nfs/dbraw/zinc/86/04/26/573860426.db2.gz MTVDGUQAISZYLL-VIFPVBQESA-N 0 3 191.278 2.478 10 0 AEAEHN CCC[C@H]1CNc2cnccc2N1 87261464 573860677 /nfs/dbraw/zinc/86/06/77/573860677.db2.gz OFVNXBLEFQDFGJ-QMMMGPOBSA-N 0 3 177.251 2.088 10 0 AEAEHN CCN1c2ccncc2NCC1(C)C 87262322 573860776 /nfs/dbraw/zinc/86/07/76/573860776.db2.gz XJPWKFANOSPLFZ-UHFFFAOYSA-N 0 3 191.278 2.112 10 0 AEAEHN CCN[C@@H](COC(C)C)c1ccc[nH]1 308458261 573862498 /nfs/dbraw/zinc/86/24/98/573862498.db2.gz FNJZYJBMZSMDEA-NSHDSACASA-N 0 3 196.294 2.090 10 0 AEAEHN CN[C@@H](C)[C@H](F)Cc1ccccc1F 257890978 573862594 /nfs/dbraw/zinc/86/25/94/573862594.db2.gz UIFATIGQDJXBJC-GZMMTYOYSA-N 0 3 199.244 2.314 10 0 AEAEHN CN[C@H](c1ccc(Cl)cn1)C1CC1 87286152 573862661 /nfs/dbraw/zinc/86/26/61/573862661.db2.gz GPSFEUZBRHFYSP-JTQLQIEISA-N 0 3 196.681 2.406 10 0 AEAEHN CCCNC(=N)c1ccc(Cl)cn1 87286497 573862714 /nfs/dbraw/zinc/86/27/14/573862714.db2.gz LKUMAXPXAUEWJQ-UHFFFAOYSA-N 0 3 197.669 2.060 10 0 AEAEHN CC[C@@H](NC)c1ccc(Cl)cn1 87286216 573862762 /nfs/dbraw/zinc/86/27/62/573862762.db2.gz RQKQNKKNZUMNBD-MRVPVSSYSA-N 0 3 184.670 2.406 10 0 AEAEHN CCN[C@H](COC(C)C)c1ccc[nH]1 308458260 573862947 /nfs/dbraw/zinc/86/29/47/573862947.db2.gz FNJZYJBMZSMDEA-LLVKDONJSA-N 0 3 196.294 2.090 10 0 AEAEHN CC(C)C[C@@]1(C)N[C@@H](C)CC(C)(C)N1 238170946 573863347 /nfs/dbraw/zinc/86/33/47/573863347.db2.gz JUUPOOUSUFLZCW-JQWIXIFHSA-N 0 3 198.354 2.499 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1ccc(Cl)cn1 87286455 573863108 /nfs/dbraw/zinc/86/31/08/573863108.db2.gz ZPAZAZGNFWHJLF-GMSGAONNSA-N 0 3 196.681 2.319 10 0 AEAEHN C1CCC(SCNC2CC2)C1 259215348 573863856 /nfs/dbraw/zinc/86/38/56/573863856.db2.gz LXVYOPPCZLUBBL-UHFFFAOYSA-N 0 3 171.309 2.372 10 0 AEAEHN N[C@@H]1CCn2c1cc1c(F)cccc12 257889676 573867848 /nfs/dbraw/zinc/86/78/48/573867848.db2.gz WWURXVJCMNOYCM-SECBINFHSA-N 0 3 190.221 2.184 10 0 AEAEHN CC(C)[C@H](N)c1cc(F)co1 238172417 573867926 /nfs/dbraw/zinc/86/79/26/573867926.db2.gz PGZLXDXFNLYVNS-QMMMGPOBSA-N 0 3 157.188 2.075 10 0 AEAEHN Cc1c(CN)cnc2ccc(F)cc12 257889713 573868317 /nfs/dbraw/zinc/86/83/17/573868317.db2.gz WYBHHGHZUKALSM-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN N[C@@]1(c2cccs2)CCCSC1 84363842 573868397 /nfs/dbraw/zinc/86/83/97/573868397.db2.gz HEBJLWUXFUXNJW-VIFPVBQESA-N 0 3 199.344 2.429 10 0 AEAEHN CCOc1c(O)cccc1[C@@H](N)CC 211625289 573868411 /nfs/dbraw/zinc/86/84/11/573868411.db2.gz ORJRZTBLBCRIHB-VIFPVBQESA-N 0 3 195.262 2.201 10 0 AEAEHN CC[C@H](N)c1nc(-c2ccoc2)c[nH]1 87290926 573868754 /nfs/dbraw/zinc/86/87/54/573868754.db2.gz NEMDNJFNDMVGDR-QMMMGPOBSA-N 0 3 191.234 2.080 10 0 AEAEHN C[NH2+]Cc1cc(C)c([O-])c(Cl)c1C 215001442 573868818 /nfs/dbraw/zinc/86/88/18/573868818.db2.gz GCADFSXDQHYANZ-UHFFFAOYSA-N 0 3 199.681 2.382 10 0 AEAEHN CC(C)N[C@H](C)c1ccoc1 87289381 573869663 /nfs/dbraw/zinc/86/96/63/573869663.db2.gz HGSNSKOIPNFZGV-MRVPVSSYSA-N 0 3 153.225 2.339 10 0 AEAEHN N[C@H]1CCn2c1cc1c(F)cccc12 257889677 573869943 /nfs/dbraw/zinc/86/99/43/573869943.db2.gz WWURXVJCMNOYCM-VIFPVBQESA-N 0 3 190.221 2.184 10 0 AEAEHN CCOc1ccccc1[C@@]1(N)C[C@H]1C 125332040 573870040 /nfs/dbraw/zinc/87/00/40/573870040.db2.gz DNMQTWOCSOLFML-BXKDBHETSA-N 0 3 191.274 2.279 10 0 AEAEHN CCOc1ccccc1[C@]1(N)C[C@H]1C 125331802 573870146 /nfs/dbraw/zinc/87/01/46/573870146.db2.gz DNMQTWOCSOLFML-SKDRFNHKSA-N 0 3 191.274 2.279 10 0 AEAEHN CCOc1ccccc1[C@@]1(N)C[C@@H]1C 125331582 573870283 /nfs/dbraw/zinc/87/02/83/573870283.db2.gz DNMQTWOCSOLFML-JOYOIKCWSA-N 0 3 191.274 2.279 10 0 AEAEHN CC[C@@]1(C)CNC[C@H](c2ccoc2)O1 87290838 573870336 /nfs/dbraw/zinc/87/03/36/573870336.db2.gz OQXOPEFPWXYSPF-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN CC(C)N[C@@H](C)c1ccoc1 87289380 573870356 /nfs/dbraw/zinc/87/03/56/573870356.db2.gz HGSNSKOIPNFZGV-QMMMGPOBSA-N 0 3 153.225 2.339 10 0 AEAEHN CCC[C@@H](NC)c1ncccc1F 131447304 573870999 /nfs/dbraw/zinc/87/09/99/573870999.db2.gz XPBOWBQGZPVFHS-SECBINFHSA-N 0 3 182.242 2.281 10 0 AEAEHN N[C@]1(c2cccs2)CCCSC1 84363847 573872119 /nfs/dbraw/zinc/87/21/19/573872119.db2.gz HEBJLWUXFUXNJW-SECBINFHSA-N 0 3 199.344 2.429 10 0 AEAEHN CCc1ccc(C2(N)CSC2)cc1 84354984 573871875 /nfs/dbraw/zinc/87/18/75/573871875.db2.gz UNAKTVVGUBCNPS-UHFFFAOYSA-N 0 3 193.315 2.150 10 0 AEAEHN CC[C@]1(C)CO[C@@H](c2ccoc2)CN1 87290829 573871891 /nfs/dbraw/zinc/87/18/91/573871891.db2.gz DMEILTDGZPHOJA-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN C[NH2+]CCc1cc([O-])c(Cl)cc1C 215000717 573871899 /nfs/dbraw/zinc/87/18/99/573871899.db2.gz XUZICTKARMZRBY-UHFFFAOYSA-N 0 3 199.681 2.116 10 0 AEAEHN CCC[C@H](NC)c1ncccc1F 131447078 573872009 /nfs/dbraw/zinc/87/20/09/573872009.db2.gz XPBOWBQGZPVFHS-VIFPVBQESA-N 0 3 182.242 2.281 10 0 AEAEHN CCOc1ccccc1[C@]1(N)C[C@@H]1C 125331355 573873094 /nfs/dbraw/zinc/87/30/94/573873094.db2.gz DNMQTWOCSOLFML-CABZTGNLSA-N 0 3 191.274 2.279 10 0 AEAEHN Cc1cccc(C2(N)CSC2)c1C 84354987 573873145 /nfs/dbraw/zinc/87/31/45/573873145.db2.gz FZJVUVFNCRQVAF-UHFFFAOYSA-N 0 3 193.315 2.204 10 0 AEAEHN Cc1ccc([C@H]2CCNC[C@@H]2F)o1 238541113 573873158 /nfs/dbraw/zinc/87/31/58/573873158.db2.gz GUIODTKDKRBTQD-IUCAKERBSA-N 0 3 183.226 2.003 10 0 AEAEHN CC(C)c1cccc2c1COC[C@@H]2N 238165475 573873192 /nfs/dbraw/zinc/87/31/92/573873192.db2.gz QUDSABQWBLRQIC-LBPRGKRZSA-N 0 3 191.274 2.340 10 0 AEAEHN CCC[C@H](C)[C@H](N)c1c(C)cnn1C 308459791 573873305 /nfs/dbraw/zinc/87/33/05/573873305.db2.gz FYVKHAYBFBHWLS-WPRPVWTQSA-N 0 3 195.310 2.165 10 0 AEAEHN CC(C)c1cccc2c1[C@H](N)CC2=O 238164979 573873334 /nfs/dbraw/zinc/87/33/34/573873334.db2.gz XHMSGGKAEGGTOL-SNVBAGLBSA-N 0 3 189.258 2.396 10 0 AEAEHN CC[C@@]1(C)CNC[C@@H](c2ccoc2)O1 87290840 573873462 /nfs/dbraw/zinc/87/34/62/573873462.db2.gz OQXOPEFPWXYSPF-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CC[C@]1(C)CNC[C@H](c2ccoc2)O1 87290837 573873588 /nfs/dbraw/zinc/87/35/88/573873588.db2.gz OQXOPEFPWXYSPF-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN CNCc1c(OC)ccc(C)c1Cl 215001568 573873646 /nfs/dbraw/zinc/87/36/46/573873646.db2.gz NETSKPNGLDFNHV-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN Fc1coc([C@H]2CCCCN2)c1 238552219 573874737 /nfs/dbraw/zinc/87/47/37/573874737.db2.gz MVEFUHPTQVHLOM-MRVPVSSYSA-N 0 3 169.199 2.233 10 0 AEAEHN Cc1cc([C@H](C)C[NH3+])cc(Cl)c1[O-] 215003383 573874744 /nfs/dbraw/zinc/87/47/44/573874744.db2.gz RAOWEQUZCXWSOO-SSDOTTSWSA-N 0 3 199.681 2.416 10 0 AEAEHN C[C@H]1CCCC[C@@H]1NCc1cnco1 84413327 573877061 /nfs/dbraw/zinc/87/70/61/573877061.db2.gz YMHPLMDJIFHZRP-ONGXEEELSA-N 0 3 194.278 2.343 10 0 AEAEHN Fc1coc([C@@H]2CCCCN2)c1 238552182 573877092 /nfs/dbraw/zinc/87/70/92/573877092.db2.gz MVEFUHPTQVHLOM-QMMMGPOBSA-N 0 3 169.199 2.233 10 0 AEAEHN CC(C)c1cccc2c1C(=O)C[C@H]2N 238165701 573877110 /nfs/dbraw/zinc/87/71/10/573877110.db2.gz DDLYXNJDPWGBKR-SNVBAGLBSA-N 0 3 189.258 2.396 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccccc1CO 238175914 573877122 /nfs/dbraw/zinc/87/71/22/573877122.db2.gz JMOSEPICQBPXHM-LLVKDONJSA-N 0 3 193.290 2.225 10 0 AEAEHN C[C@H]1CCN[C@H](c2ccoc2)CS1 87307758 573876554 /nfs/dbraw/zinc/87/65/54/573876554.db2.gz LLAXHXFWFXYRPK-WPRPVWTQSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@@H](N)c1ccnn1C1CCCC1 257895739 573876581 /nfs/dbraw/zinc/87/65/81/573876581.db2.gz OCHPGDRELMBZJY-MRVPVSSYSA-N 0 3 179.267 2.018 10 0 AEAEHN C[C@@H]1CCCC[C@H]1NCc1cnco1 84413329 573876589 /nfs/dbraw/zinc/87/65/89/573876589.db2.gz YMHPLMDJIFHZRP-MWLCHTKSSA-N 0 3 194.278 2.343 10 0 AEAEHN C[C@H]1CCN[C@@H](c2ccoc2)CS1 87307760 573876638 /nfs/dbraw/zinc/87/66/38/573876638.db2.gz LLAXHXFWFXYRPK-WCBMZHEXSA-N 0 3 197.303 2.436 10 0 AEAEHN Cc1ccc(Cl)c([O-])c1CCC[NH3+] 215003269 573876868 /nfs/dbraw/zinc/87/68/68/573876868.db2.gz QYSDFXZAWSULHL-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN CC[C@@H]1CSC[C@H](c2ccoc2)N1 87307769 573879076 /nfs/dbraw/zinc/87/90/76/573879076.db2.gz AWGFPCVNKVOZPE-NXEZZACHSA-N 0 3 197.303 2.436 10 0 AEAEHN CC[C@H]1CSC[C@H](c2ccoc2)N1 87307770 573878865 /nfs/dbraw/zinc/87/88/65/573878865.db2.gz AWGFPCVNKVOZPE-VHSXEESVSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@H]1CN[C@@H](c2ccoc2)CSC1 87307748 573878902 /nfs/dbraw/zinc/87/89/02/573878902.db2.gz AGGNGNNJFYTFCU-WCBMZHEXSA-N 0 3 197.303 2.293 10 0 AEAEHN C1=CC[C@H](NCc2ccoc2)CC1 80123966 573878987 /nfs/dbraw/zinc/87/89/87/573878987.db2.gz LMKPYWYSIYBHCT-NSHDSACASA-N 0 3 177.247 2.478 10 0 AEAEHN CC[C@H](OC)[C@H](NC)c1ccccc1 44043242 573879950 /nfs/dbraw/zinc/87/99/50/573879950.db2.gz KIRBHNXGNBMYIP-NWDGAFQWSA-N 0 3 193.290 2.372 10 0 AEAEHN CC1(NCc2cnco2)CCCC1 84414528 573879979 /nfs/dbraw/zinc/87/99/79/573879979.db2.gz DBMAOJKFJMJBJV-UHFFFAOYSA-N 0 3 180.251 2.097 10 0 AEAEHN Cc1ccc(/C=C2/NCCCO2)cc1 238553538 573881660 /nfs/dbraw/zinc/88/16/60/573881660.db2.gz RFBINXBBBIKXBR-XFXZXTDPSA-N 0 3 189.258 2.303 10 0 AEAEHN CC[C@H](OC)[C@@H](NC)c1ccccc1 44043249 573881478 /nfs/dbraw/zinc/88/14/78/573881478.db2.gz KIRBHNXGNBMYIP-RYUDHWBXSA-N 0 3 193.290 2.372 10 0 AEAEHN Fc1cccc2c1CNCC21CCC1 238554071 573881543 /nfs/dbraw/zinc/88/15/43/573881543.db2.gz YJOPDBCOUSKEED-UHFFFAOYSA-N 0 3 191.249 2.351 10 0 AEAEHN Oc1cccc([C@@H]2NCC3CC2C3)c1 257891861 573881634 /nfs/dbraw/zinc/88/16/34/573881634.db2.gz XHFMOEHQZOBQPO-VCJLRHCSSA-N 0 3 189.258 2.063 10 0 AEAEHN CNCc1ccn(C2CCCCC2)n1 80093831 573881747 /nfs/dbraw/zinc/88/17/47/573881747.db2.gz GTGPFWBABMDUCG-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN COCNCC(C)(C)c1ccc(C)o1 258984670 573882216 /nfs/dbraw/zinc/88/22/16/573882216.db2.gz CUKQFGARUKSESS-UHFFFAOYSA-N 0 3 197.278 2.059 10 0 AEAEHN C1=CC[C@@H](NCc2ccoc2)CC1 80123973 573882255 /nfs/dbraw/zinc/88/22/55/573882255.db2.gz LMKPYWYSIYBHCT-LLVKDONJSA-N 0 3 177.247 2.478 10 0 AEAEHN CC(C)[C@H](N)c1ccc(F)o1 238177678 573882605 /nfs/dbraw/zinc/88/26/05/573882605.db2.gz DACHSMJAOKUWNF-QMMMGPOBSA-N 0 3 157.188 2.075 10 0 AEAEHN Oc1ccc2c(c1)CC[C@@H]2N1CCC1 257891893 573883208 /nfs/dbraw/zinc/88/32/08/573883208.db2.gz XHQOMIBIHKOIPS-LBPRGKRZSA-N 0 3 189.258 2.085 10 0 AEAEHN CCN[C@@H](CCOCC)c1ccoc1 69946879 573884886 /nfs/dbraw/zinc/88/48/86/573884886.db2.gz NEVWWCOWKYECIO-NSHDSACASA-N 0 3 197.278 2.357 10 0 AEAEHN C[C@@H](CC[NH3+])c1ccc(Cl)c([O-])c1 215002542 573884958 /nfs/dbraw/zinc/88/49/58/573884958.db2.gz SFASSBMRKGVBRC-ZETCQYMHSA-N 0 3 199.681 2.498 10 0 AEAEHN c1c[nH]c(NCC2CCCC2)n1 84428229 573889020 /nfs/dbraw/zinc/88/90/20/573889020.db2.gz XOQHJOLWPQRIJB-UHFFFAOYSA-N 0 3 165.240 2.012 10 0 AEAEHN Cc1ccc([C@@H](F)[C@H]2CCN2)cc1 257893545 573886708 /nfs/dbraw/zinc/88/67/08/573886708.db2.gz NTLXWNPBJFRQHG-GHMZBOCLSA-N 0 3 179.238 2.368 10 0 AEAEHN Cc1ccc([C@H](F)[C@H]2CCN2)cc1 257893548 573886798 /nfs/dbraw/zinc/88/67/98/573886798.db2.gz NTLXWNPBJFRQHG-MNOVXSKESA-N 0 3 179.238 2.368 10 0 AEAEHN NCc1cnc(C(F)F)c(Cl)c1 238560669 573886954 /nfs/dbraw/zinc/88/69/54/573886954.db2.gz WZUYDWGXNRTJFJ-UHFFFAOYSA-N 0 3 192.596 2.131 10 0 AEAEHN CC(C)[C@H](N)C1=CCC(=O)S1 238179834 573887042 /nfs/dbraw/zinc/88/70/42/573887042.db2.gz XQLUUGWCVBDNFZ-QMMMGPOBSA-N 0 3 171.265 2.110 10 0 AEAEHN C[C@H](CC[NH3+])c1ccc(Cl)c([O-])c1 215002593 573887070 /nfs/dbraw/zinc/88/70/70/573887070.db2.gz SFASSBMRKGVBRC-SSDOTTSWSA-N 0 3 199.681 2.498 10 0 AEAEHN Cc1ccc([C@@H](F)[C@@H]2CCN2)cc1 257893552 573887112 /nfs/dbraw/zinc/88/71/12/573887112.db2.gz NTLXWNPBJFRQHG-WDEREUQCSA-N 0 3 179.238 2.368 10 0 AEAEHN CC(C)n1ncc(CN)c1C1CCC1 257893849 573887411 /nfs/dbraw/zinc/88/74/11/573887411.db2.gz XQALTJSCTALUQZ-UHFFFAOYSA-N 0 3 193.294 2.190 10 0 AEAEHN Clc1cc2c(s1)CNC2 238554204 573887673 /nfs/dbraw/zinc/88/76/73/573887673.db2.gz HUWGRDZYJICISC-UHFFFAOYSA-N 0 3 159.641 2.005 10 0 AEAEHN Cc1cccc2c([C@@H](C)N)onc12 257893641 573887678 /nfs/dbraw/zinc/88/76/78/573887678.db2.gz NVCAREDZLSGVBO-SSDOTTSWSA-N 0 3 176.219 2.156 10 0 AEAEHN CC1CCC([C@H](N)c2ncc[nH]2)CC1 87341068 573887749 /nfs/dbraw/zinc/88/77/49/573887749.db2.gz PHARMRSJRBANGH-RTBKNWGFSA-N 0 3 193.294 2.236 10 0 AEAEHN CCCCC[C@H](NC)c1ncc[nH]1 87341468 573888651 /nfs/dbraw/zinc/88/86/51/573888651.db2.gz FQYFFOHFDDNZQJ-VIFPVBQESA-N 0 3 181.283 2.251 10 0 AEAEHN C[C@@H]1CCC[C@@H]([C@H](N)c2ncc[nH]2)C1 87340655 573888703 /nfs/dbraw/zinc/88/87/03/573888703.db2.gz JBDIPBQLRZJXPB-BBBLOLIVSA-N 0 3 193.294 2.236 10 0 AEAEHN CN[C@@H](C)[C@@H](F)Cc1cccc(F)c1 257893993 573888941 /nfs/dbraw/zinc/88/89/41/573888941.db2.gz UXALCXKBGNDHLR-KWQFWETISA-N 0 3 199.244 2.314 10 0 AEAEHN Cc1ccccc1[C@H](F)[C@@H]1CCN1 257894720 573889086 /nfs/dbraw/zinc/88/90/86/573889086.db2.gz NXUUKMAJGOJSHB-QWRGUYRKSA-N 0 3 179.238 2.368 10 0 AEAEHN N[C@@H]1CC(=O)c2cc(C(F)F)ccc21 238562225 573889087 /nfs/dbraw/zinc/88/90/87/573889087.db2.gz WTVZWNDLDVGUEX-MRVPVSSYSA-N 0 3 197.184 2.210 10 0 AEAEHN C[C@@H]1CCC[C@H]([C@H](N)c2ncc[nH]2)C1 87340652 573889133 /nfs/dbraw/zinc/88/91/33/573889133.db2.gz JBDIPBQLRZJXPB-UTLUCORTSA-N 0 3 193.294 2.236 10 0 AEAEHN Cc1cccc2c1CNCCS2 144958241 573892322 /nfs/dbraw/zinc/89/23/22/573892322.db2.gz ZSOSRXSUDMSECL-UHFFFAOYSA-N 0 3 179.288 2.190 10 0 AEAEHN CN[C@H]1Cc2cc(Cl)ccc21 258445325 573891879 /nfs/dbraw/zinc/89/18/79/573891879.db2.gz FJORHLXJWCIOKI-VIFPVBQESA-N 0 3 167.639 2.157 10 0 AEAEHN Cc1cc(C)cc(OCCN(C)C)c1 41206316 573891881 /nfs/dbraw/zinc/89/18/81/573891881.db2.gz DFDZNBUYANJZMX-UHFFFAOYSA-N 0 3 193.290 2.244 10 0 AEAEHN NCc1cccc(C(=O)C2CCC2)c1 259221654 573891956 /nfs/dbraw/zinc/89/19/56/573891956.db2.gz QCWZAPNOXXSRRC-UHFFFAOYSA-N 0 3 189.258 2.128 10 0 AEAEHN CN(C)c1cccc(NC(C)(C)C)n1 123012730 573891972 /nfs/dbraw/zinc/89/19/72/573891972.db2.gz OZDVCBDIYWCEKN-UHFFFAOYSA-N 0 3 193.294 2.358 10 0 AEAEHN CN(C)[C@H](CCCO)c1cccs1 259222714 573892209 /nfs/dbraw/zinc/89/22/09/573892209.db2.gz ANLNTEFIUMEAHL-SECBINFHSA-N 0 3 199.319 2.123 10 0 AEAEHN CN[C@H](C)[C@@H](F)Cc1cccc(F)c1 257893990 573892708 /nfs/dbraw/zinc/89/27/08/573892708.db2.gz UXALCXKBGNDHLR-KCJUWKMLSA-N 0 3 199.244 2.314 10 0 AEAEHN Clc1c[nH]cc1[C@@H]1CCCCN1 238563793 573894219 /nfs/dbraw/zinc/89/42/19/573894219.db2.gz VOIMMQFEWAZAHM-VIFPVBQESA-N 0 3 184.670 2.483 10 0 AEAEHN c1csc(CNc2ncc[nH]2)c1 84445580 573894181 /nfs/dbraw/zinc/89/41/81/573894181.db2.gz CBVDXSCDTRNSOS-UHFFFAOYSA-N 0 3 179.248 2.083 10 0 AEAEHN CC[C@@H](N)c1cc2ccn(C)c2o1 76602792 573894665 /nfs/dbraw/zinc/89/46/65/573894665.db2.gz JXTPDEIVXGQSAB-MRVPVSSYSA-N 0 3 178.235 2.181 10 0 AEAEHN CN[C@H](C)c1cccc2c1O[C@@H](C)C2 258175730 573897142 /nfs/dbraw/zinc/89/71/42/573897142.db2.gz SLHUMQKDXRYUCI-DTWKUNHWSA-N 0 3 191.274 2.290 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccc(F)nc1 238174145 573896853 /nfs/dbraw/zinc/89/68/53/573896853.db2.gz MPEDJODOCNXNNP-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN Cc1csc([C@](C)(N)C2(C)CC2)n1 87365137 573896993 /nfs/dbraw/zinc/89/69/93/573896993.db2.gz UJHNBZCHVTXLFO-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccc(N)cc1F 238174553 573897088 /nfs/dbraw/zinc/89/70/88/573897088.db2.gz JCXNDSXEWHRLCP-SNVBAGLBSA-N 0 3 196.269 2.454 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccc(F)cc1N 238174091 573897216 /nfs/dbraw/zinc/89/72/16/573897216.db2.gz YESIICLBODMOQD-SNVBAGLBSA-N 0 3 196.269 2.454 10 0 AEAEHN C[C@](F)(c1ccc(F)cc1)[C@H]1CCN1 257902873 573899601 /nfs/dbraw/zinc/89/96/01/573899601.db2.gz ZAQOHEMSOFLTEH-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN CC(C)(C)c1ncc(CN)cc1Cl 257903404 573899661 /nfs/dbraw/zinc/89/96/61/573899661.db2.gz WCZLFWRGICDRDB-UHFFFAOYSA-N 0 3 198.697 2.491 10 0 AEAEHN CN[C@H]1Cc2cccc(Cl)c21 258443459 573899689 /nfs/dbraw/zinc/89/96/89/573899689.db2.gz FGWBDABSBMVHCS-QMMMGPOBSA-N 0 3 167.639 2.157 10 0 AEAEHN CN[C@@H](C)c1cccc2c1O[C@@H](C)C2 258175737 573899703 /nfs/dbraw/zinc/89/97/03/573899703.db2.gz SLHUMQKDXRYUCI-IUCAKERBSA-N 0 3 191.274 2.290 10 0 AEAEHN CNC(C)(C)c1nc(CC(C)C)c[nH]1 258991498 573899892 /nfs/dbraw/zinc/89/98/92/573899892.db2.gz BDOJKQDWBQFJRH-UHFFFAOYSA-N 0 3 195.310 2.063 10 0 AEAEHN CCc1[nH]c(CN)nc1C1CCCC1 257902845 573899980 /nfs/dbraw/zinc/89/99/80/573899980.db2.gz YZPSUHXALYCGPU-UHFFFAOYSA-N 0 3 193.294 2.088 10 0 AEAEHN CCc1nc(CN)[nH]c1C1CCCC1 257902845 573899984 /nfs/dbraw/zinc/89/99/84/573899984.db2.gz YZPSUHXALYCGPU-UHFFFAOYSA-N 0 3 193.294 2.088 10 0 AEAEHN CN[C@H](C)c1cccc2c1O[C@H](C)C2 258175744 573899986 /nfs/dbraw/zinc/89/99/86/573899986.db2.gz SLHUMQKDXRYUCI-RKDXNWHRSA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1nc(CN[C@H]2C[C@H]2C)sc1C 87375931 573904100 /nfs/dbraw/zinc/90/41/00/573904100.db2.gz PRUGMKOHZRVSSG-MUWHJKNJSA-N 0 3 196.319 2.258 10 0 AEAEHN CN[C@H](C)c1onc2cc(C)ccc12 257896043 573904115 /nfs/dbraw/zinc/90/41/15/573904115.db2.gz XXYXHRAEEZBCDY-MRVPVSSYSA-N 0 3 190.246 2.417 10 0 AEAEHN NC[C@](F)(Cc1ccccc1)C1CC1 127447235 573903536 /nfs/dbraw/zinc/90/35/36/573903536.db2.gz WRUNCAJIQCDAQM-GFCCVEGCSA-N 0 3 193.265 2.306 10 0 AEAEHN Cc1cccc2c1[C@](F)(CN)CCC2 257904208 573903911 /nfs/dbraw/zinc/90/39/11/573903911.db2.gz ZFZXUUFGSZNBJA-GFCCVEGCSA-N 0 3 193.265 2.455 10 0 AEAEHN C/C=C\CCNCc1cncc(F)c1 308462134 573905944 /nfs/dbraw/zinc/90/59/44/573905944.db2.gz XLMIKNZCDALNEF-IHWYPQMZSA-N 0 3 194.253 2.277 10 0 AEAEHN CN[C@@H](C)c1onc2cc(C)ccc12 257896045 573905502 /nfs/dbraw/zinc/90/55/02/573905502.db2.gz XXYXHRAEEZBCDY-QMMMGPOBSA-N 0 3 190.246 2.417 10 0 AEAEHN CC[C@H](C)c1ncc([C@@H](C)N)c(C)n1 84717680 573909329 /nfs/dbraw/zinc/90/93/29/573909329.db2.gz YXHMAXBCEWJYSZ-JGVFFNPUSA-N 0 3 193.294 2.318 10 0 AEAEHN CCN1CCC=C(CCC(C)(C)O)C1 258179775 573909442 /nfs/dbraw/zinc/90/94/42/573909442.db2.gz SOMFWKRDPQVTBC-UHFFFAOYSA-N 0 3 197.322 2.190 10 0 AEAEHN C[C@@]1(c2ccccc2)C[C@H](F)CN1 259001273 573909664 /nfs/dbraw/zinc/90/96/64/573909664.db2.gz WWTSRYZAKOZAGL-QWRGUYRKSA-N 0 3 179.238 2.233 10 0 AEAEHN CCC[C@H](N)c1cc(OC)ncc1F 308462365 573909707 /nfs/dbraw/zinc/90/97/07/573909707.db2.gz GAGBBNMFHTWLRX-VIFPVBQESA-N 0 3 198.241 2.029 10 0 AEAEHN CCC[C@@H](N)c1cc(OC)ncc1F 308462364 573909782 /nfs/dbraw/zinc/90/97/82/573909782.db2.gz GAGBBNMFHTWLRX-SECBINFHSA-N 0 3 198.241 2.029 10 0 AEAEHN CC(C)c1ncc(Cl)cc1CN 238184121 573910656 /nfs/dbraw/zinc/91/06/56/573910656.db2.gz YHMGIKYXDFOUFO-UHFFFAOYSA-N 0 3 184.670 2.317 10 0 AEAEHN C[C@H]1CCC[C@@H]1NC1=N[C@H](C)CS1 84668087 573911551 /nfs/dbraw/zinc/91/15/51/573911551.db2.gz GZDHNALTBYHHHX-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H](C)c1ncc([C@H](C)N)c(C)n1 84717683 573911578 /nfs/dbraw/zinc/91/15/78/573911578.db2.gz YXHMAXBCEWJYSZ-SFYZADRCSA-N 0 3 193.294 2.318 10 0 AEAEHN C[C@@H]1CN[C@H](C2(C)CCC2)SC1 686131795 573911624 /nfs/dbraw/zinc/91/16/24/573911624.db2.gz KBPLTJFNZHCVDD-BDAKNGLRSA-N 0 3 185.336 2.475 10 0 AEAEHN Oc1cccc(S[C@@H]2CCCN2)c1 257898237 573912109 /nfs/dbraw/zinc/91/21/09/573912109.db2.gz YJPSBCGRJYWZFR-SNVBAGLBSA-N 0 3 195.287 2.194 10 0 AEAEHN Cc1cc([O-])c(F)c(C2([NH3+])CCC2)c1 258179038 573912122 /nfs/dbraw/zinc/91/21/22/573912122.db2.gz WKNNJDFXIAMWTH-UHFFFAOYSA-N 0 3 195.237 2.178 10 0 AEAEHN C[C@@H]1CSC(N[C@H]2CCC[C@H]2C)=N1 84668085 573912137 /nfs/dbraw/zinc/91/21/37/573912137.db2.gz GZDHNALTBYHHHX-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN Oc1ccccc1S[C@@H]1CCCN1 257898208 573912461 /nfs/dbraw/zinc/91/24/61/573912461.db2.gz YIWSDLBRSMBUQX-SNVBAGLBSA-N 0 3 195.287 2.194 10 0 AEAEHN CN[C@@H](COC)c1cccc(Cl)c1 44569078 573912669 /nfs/dbraw/zinc/91/26/69/573912669.db2.gz QYPVXTIZAWCVME-JTQLQIEISA-N 0 3 199.681 2.247 10 0 AEAEHN CN[C@H](COC)c1cccc(Cl)c1 44569081 573916415 /nfs/dbraw/zinc/91/64/15/573916415.db2.gz QYPVXTIZAWCVME-SNVBAGLBSA-N 0 3 199.681 2.247 10 0 AEAEHN Oc1ccc2c(c1)[C@H](NC1CC1)CC2 257898195 573915668 /nfs/dbraw/zinc/91/56/68/573915668.db2.gz YIIKTADFTCHALS-GFCCVEGCSA-N 0 3 189.258 2.132 10 0 AEAEHN CC(C)C(=O)c1ccc2c(c1)CNC2 123068772 573915924 /nfs/dbraw/zinc/91/59/24/573915924.db2.gz UQJOEPBKSMZQCV-UHFFFAOYSA-N 0 3 189.258 2.129 10 0 AEAEHN CCN[C@@H](CC)c1cnccc1OC 308463040 573917710 /nfs/dbraw/zinc/91/77/10/573917710.db2.gz GIJFKWHJZSCWOB-JTQLQIEISA-N 0 3 194.278 2.151 10 0 AEAEHN CC[C@H](C)c1ncc([C@@H](C)N)s1 642823947 573918250 /nfs/dbraw/zinc/91/82/50/573918250.db2.gz YBZGDZQEXSXCNS-NKWVEPMBSA-N 0 3 183.300 2.170 10 0 AEAEHN CN[C@@H]1CN(C)c2cc(Cl)ccc21 84769836 573918032 /nfs/dbraw/zinc/91/80/32/573918032.db2.gz UUMRJCMXWCYJDZ-SECBINFHSA-N 0 3 196.681 2.050 10 0 AEAEHN CN[C@@H](CO)c1cccc(C(C)C)c1 211763627 573918257 /nfs/dbraw/zinc/91/82/57/573918257.db2.gz VTRBAGSRVBQMOS-LBPRGKRZSA-N 0 3 193.290 2.063 10 0 AEAEHN CCCOC[C@@H](N)c1cccs1 44653545 573919411 /nfs/dbraw/zinc/91/94/11/573919411.db2.gz HSWOTXVPEPVGEU-MRVPVSSYSA-N 0 3 185.292 2.175 10 0 AEAEHN N[C@@H]1CCCC(=O)c2sccc21 145081081 573919460 /nfs/dbraw/zinc/91/94/60/573919460.db2.gz WFQBNSGVEWMLJN-SSDOTTSWSA-N 0 3 181.260 2.115 10 0 AEAEHN Nc1ccnc(-c2ccc(O)cc2)c1 257899301 573919554 /nfs/dbraw/zinc/91/95/54/573919554.db2.gz OPCDCFNBGWHRMF-UHFFFAOYSA-N 0 3 186.214 2.036 10 0 AEAEHN CC(=O)[C@H](CC(C)C)N1CCCCC1 259238880 573919605 /nfs/dbraw/zinc/91/96/05/573919605.db2.gz KCNGZHKHDYIWFI-LBPRGKRZSA-N 0 3 197.322 2.476 10 0 AEAEHN CCCN(CC(=O)C1CC1)CC(C)C 308462952 573919806 /nfs/dbraw/zinc/91/98/06/573919806.db2.gz GDRYUXWUZIEFPE-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN NC[C@]1(F)CCc2cccc(Cl)c21 257898339 573920160 /nfs/dbraw/zinc/92/01/60/573920160.db2.gz VLDLRKSJGZHWBN-SNVBAGLBSA-N 0 3 199.656 2.410 10 0 AEAEHN CCCOC[C@H](NC)c1cccs1 44653838 573921962 /nfs/dbraw/zinc/92/19/62/573921962.db2.gz GWEBLLFQHFIBLR-VIFPVBQESA-N 0 3 199.319 2.435 10 0 AEAEHN CC(C)(C)c1ccc(CNCO)cc1 259006403 573921200 /nfs/dbraw/zinc/92/12/00/573921200.db2.gz ZPAUUNGEFRHSLC-UHFFFAOYSA-N 0 3 193.290 2.024 10 0 AEAEHN CCCOC[C@@H](NC)c1cccs1 44653841 573921227 /nfs/dbraw/zinc/92/12/27/573921227.db2.gz GWEBLLFQHFIBLR-SECBINFHSA-N 0 3 199.319 2.435 10 0 AEAEHN CC[C@H](C)C[C@H](N)c1ccnn1CC 127583311 573921317 /nfs/dbraw/zinc/92/13/17/573921317.db2.gz JMBAVWHXPOSQGI-UWVGGRQHSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@@H](C)C[C@@H](N)c1ccnn1CC 127583548 573921686 /nfs/dbraw/zinc/92/16/86/573921686.db2.gz JMBAVWHXPOSQGI-NXEZZACHSA-N 0 3 195.310 2.339 10 0 AEAEHN COc1cccc([C@@H](F)[C@@H]2CCN2)c1 257900581 573921859 /nfs/dbraw/zinc/92/18/59/573921859.db2.gz YSTLAVWBTWVNSN-WDEREUQCSA-N 0 3 195.237 2.068 10 0 AEAEHN CC(C)Cc1ccc2c(c1)OC[C@@H]2N 238186221 573921920 /nfs/dbraw/zinc/92/19/20/573921920.db2.gz CIGIDPQEKXPHDG-NSHDSACASA-N 0 3 191.274 2.277 10 0 AEAEHN CC1=NCCN[C@@H](c2cccs2)C1 238188054 573924664 /nfs/dbraw/zinc/92/46/64/573924664.db2.gz FUXOBUMTSREONB-SECBINFHSA-N 0 3 194.303 2.243 10 0 AEAEHN CC[C@@H](C)C[C@H](N)c1ccnn1CC 127583121 573924899 /nfs/dbraw/zinc/92/48/99/573924899.db2.gz JMBAVWHXPOSQGI-ZJUUUORDSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@@H]1CC[C@H](Nc2nccn2C)[C@@H]1C 84876939 573924976 /nfs/dbraw/zinc/92/49/76/573924976.db2.gz GHHCDFRLWAXDHT-BBBLOLIVSA-N 0 3 193.294 2.267 10 0 AEAEHN COc1cccc([C@H](F)[C@@H]2CCN2)c1 257900579 573925236 /nfs/dbraw/zinc/92/52/36/573925236.db2.gz YSTLAVWBTWVNSN-QWRGUYRKSA-N 0 3 195.237 2.068 10 0 AEAEHN CC1=NCCN[C@H](c2cccs2)C1 238188089 573925437 /nfs/dbraw/zinc/92/54/37/573925437.db2.gz FUXOBUMTSREONB-VIFPVBQESA-N 0 3 194.303 2.243 10 0 AEAEHN CC1=NC[C@H](c2ccc(CO)cc2)C1 238188253 573925461 /nfs/dbraw/zinc/92/54/61/573925461.db2.gz FOYGGGJXHFBTGK-GFCCVEGCSA-N 0 3 189.258 2.127 10 0 AEAEHN CCn1nccc1[C@@H](N)C(C)(C)CC 127587629 573926354 /nfs/dbraw/zinc/92/63/54/573926354.db2.gz IZBQPKBAACZFFJ-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC(CC)[C@@H](N)c1ccnn1CC 127594705 573925715 /nfs/dbraw/zinc/92/57/15/573925715.db2.gz OAZCPJCEVZQNCN-LLVKDONJSA-N 0 3 195.310 2.339 10 0 AEAEHN CC1=NCCN[C@@H](c2ccccc2)C1 238188031 573925842 /nfs/dbraw/zinc/92/58/42/573925842.db2.gz DGGBXLMGQDZGNC-GFCCVEGCSA-N 0 3 188.274 2.182 10 0 AEAEHN CCC(CC)[C@H](N)c1ccnn1CC 127594476 573925953 /nfs/dbraw/zinc/92/59/53/573925953.db2.gz OAZCPJCEVZQNCN-NSHDSACASA-N 0 3 195.310 2.339 10 0 AEAEHN CN[C@H](C)c1cccc(OC)c1F 84931434 573926062 /nfs/dbraw/zinc/92/60/62/573926062.db2.gz PCFMBANEMCXBJY-SSDOTTSWSA-N 0 3 183.226 2.115 10 0 AEAEHN CC(C)c1[nH]nc(Cl)c1C1(N)CC1 215009516 573926142 /nfs/dbraw/zinc/92/61/42/573926142.db2.gz DUWYGXMVXZPZBF-UHFFFAOYSA-N 0 3 199.685 2.134 10 0 AEAEHN CC1=NCCN[C@H](c2ccccc2)C1 238188070 573926145 /nfs/dbraw/zinc/92/61/45/573926145.db2.gz DGGBXLMGQDZGNC-LBPRGKRZSA-N 0 3 188.274 2.182 10 0 AEAEHN C[C@@H]1CNC[C@@H](CC2CCCCC2)O1 87474475 573926288 /nfs/dbraw/zinc/92/62/88/573926288.db2.gz FGJUHRVBQMJNCU-ZYHUDNBSSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCCC[C@@H](N)c1ccnn1CC 127595545 573927404 /nfs/dbraw/zinc/92/74/04/573927404.db2.gz ZOXOTRJGUWFNQE-SNVBAGLBSA-N 0 3 195.310 2.483 10 0 AEAEHN Fc1ccc([C@H](F)[C@H]2CCN2)cc1 257901426 573927409 /nfs/dbraw/zinc/92/74/09/573927409.db2.gz OXXBRDHJFGLSOZ-ZJUUUORDSA-N 0 3 183.201 2.198 10 0 AEAEHN CN[C@@H](C)c1cccc(OC)c1F 84931433 573927430 /nfs/dbraw/zinc/92/74/30/573927430.db2.gz PCFMBANEMCXBJY-ZETCQYMHSA-N 0 3 183.226 2.115 10 0 AEAEHN Cc1ccc2cc3n(c2c1)CC[C@H]3N 257901501 573928656 /nfs/dbraw/zinc/92/86/56/573928656.db2.gz OZPCZZVYPNRURK-SNVBAGLBSA-N 0 3 186.258 2.353 10 0 AEAEHN CC(C)[C@H](C)CN1CCC(=O)[C@@H](C)C1 81089022 573927701 /nfs/dbraw/zinc/92/77/01/573927701.db2.gz XWXJWXXJRWUZBW-MNOVXSKESA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@H]1CNC[C@@H](CC2CCCCC2)O1 87474478 573928720 /nfs/dbraw/zinc/92/87/20/573928720.db2.gz FGJUHRVBQMJNCU-CMPLNLGQSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(C)n1ncc(Cl)c1C1(N)CC1 215009446 573927894 /nfs/dbraw/zinc/92/78/94/573927894.db2.gz JUYMRAUPRXBHHQ-UHFFFAOYSA-N 0 3 199.685 2.065 10 0 AEAEHN C[C@H]1CNC[C@H](CC2CCCCC2)O1 87474474 573927979 /nfs/dbraw/zinc/92/79/79/573927979.db2.gz FGJUHRVBQMJNCU-JQWIXIFHSA-N 0 3 197.322 2.334 10 0 AEAEHN CCNC(C)(C)c1ncc(C)s1 642824503 573928068 /nfs/dbraw/zinc/92/80/68/573928068.db2.gz DZGXRFMXXQQSMU-UHFFFAOYSA-N 0 3 183.300 2.184 10 0 AEAEHN CN[C@@H](C)c1ccc(CO)cc1Cl 215009252 573928091 /nfs/dbraw/zinc/92/80/91/573928091.db2.gz DUBYNTDZFKOAMA-ZETCQYMHSA-N 0 3 199.681 2.113 10 0 AEAEHN CCC[C@H](C)COc1cnccc1N 308464735 573928255 /nfs/dbraw/zinc/92/82/55/573928255.db2.gz FUTOHVFBZDWOBK-VIFPVBQESA-N 0 3 194.278 2.479 10 0 AEAEHN CC(C)n1ncc(C2(N)CC2)c1Cl 215010103 573928291 /nfs/dbraw/zinc/92/82/91/573928291.db2.gz LLGUTFGIKRLUJK-UHFFFAOYSA-N 0 3 199.685 2.065 10 0 AEAEHN CC(C)[C@H](C)CNc1nccn1C 81070456 573928454 /nfs/dbraw/zinc/92/84/54/573928454.db2.gz XNCWCBLWHUIQFI-SECBINFHSA-N 0 3 181.283 2.124 10 0 AEAEHN Cc1ccc2cc3n(c2c1)CC[C@@H]3N 257901499 573928563 /nfs/dbraw/zinc/92/85/63/573928563.db2.gz OZPCZZVYPNRURK-JTQLQIEISA-N 0 3 186.258 2.353 10 0 AEAEHN Fc1ccc([C@H](F)[C@@H]2CCN2)cc1 257901424 573928579 /nfs/dbraw/zinc/92/85/79/573928579.db2.gz OXXBRDHJFGLSOZ-UWVGGRQHSA-N 0 3 183.201 2.198 10 0 AEAEHN CCC[C@H](C)[C@H](N)c1ccnn1CC 127575797 573928647 /nfs/dbraw/zinc/92/86/47/573928647.db2.gz DHIBFXXFSWDJBZ-ONGXEEELSA-N 0 3 195.310 2.339 10 0 AEAEHN Cc1cc(CC[NH3+])c(C)c(Cl)c1[O-] 215008216 573929904 /nfs/dbraw/zinc/92/99/04/573929904.db2.gz DKASDZVJOHRODK-UHFFFAOYSA-N 0 3 199.681 2.164 10 0 AEAEHN CCn1nccc1[C@H](N)[C@@H](C)C(C)C 127598579 573929007 /nfs/dbraw/zinc/92/90/07/573929007.db2.gz RFNDQTHREJMVKD-GXSJLCMTSA-N 0 3 195.310 2.195 10 0 AEAEHN C[C@@H](c1ccc2ncoc2c1)N(C)C 259242606 573929017 /nfs/dbraw/zinc/92/90/17/573929017.db2.gz ROKRNALLGNYBBA-QMMMGPOBSA-N 0 3 190.246 2.450 10 0 AEAEHN CCn1nccc1[C@@H](N)[C@H](C)C(C)C 127599237 573929057 /nfs/dbraw/zinc/92/90/57/573929057.db2.gz RFNDQTHREJMVKD-KOLCDFICSA-N 0 3 195.310 2.195 10 0 AEAEHN CN[C@H](C)c1ccc(CO)cc1Cl 215009304 573929126 /nfs/dbraw/zinc/92/91/26/573929126.db2.gz DUBYNTDZFKOAMA-SSDOTTSWSA-N 0 3 199.681 2.113 10 0 AEAEHN NC[C@H]1CC(CC2CCCCC2)=NO1 87474359 573929300 /nfs/dbraw/zinc/92/93/00/573929300.db2.gz HEDWFSHYJZBBAZ-LLVKDONJSA-N 0 3 196.294 2.060 10 0 AEAEHN Fc1ccc([C@@H](F)[C@H]2CCN2)cc1 257901423 573929489 /nfs/dbraw/zinc/92/94/89/573929489.db2.gz OXXBRDHJFGLSOZ-NXEZZACHSA-N 0 3 183.201 2.198 10 0 AEAEHN Fc1ccc([C@@H](F)[C@@H]2CCN2)cc1 257901425 573929613 /nfs/dbraw/zinc/92/96/13/573929613.db2.gz OXXBRDHJFGLSOZ-VHSXEESVSA-N 0 3 183.201 2.198 10 0 AEAEHN C[C@H](N)C(=O)C[C@H](C)c1ccccc1 215974434 573929812 /nfs/dbraw/zinc/92/98/12/573929812.db2.gz VOYKEIBPDJSJPC-UWVGGRQHSA-N 0 3 191.274 2.097 10 0 AEAEHN CCn1nccc1[C@H](N)C(C)(C)CC 127587857 573929850 /nfs/dbraw/zinc/92/98/50/573929850.db2.gz IZBQPKBAACZFFJ-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CC(C)[C@H](C)CN1CCC(=O)[C@H](C)C1 81089013 573930857 /nfs/dbraw/zinc/93/08/57/573930857.db2.gz XWXJWXXJRWUZBW-GHMZBOCLSA-N 0 3 197.322 2.189 10 0 AEAEHN CC(C)[C@H](C)CN1CCC(=O)C[C@@H]1C 81065302 573930944 /nfs/dbraw/zinc/93/09/44/573930944.db2.gz QFIVJIIUVXNJFN-MNOVXSKESA-N 0 3 197.322 2.332 10 0 AEAEHN CCn1c(CN)cc2cccc(C)c21 257908192 573931045 /nfs/dbraw/zinc/93/10/45/573931045.db2.gz PLGGTSDUYXXSDV-UHFFFAOYSA-N 0 3 188.274 2.428 10 0 AEAEHN c1noc(C2CC2)c1CN1CCCC1 585364190 573931125 /nfs/dbraw/zinc/93/11/25/573931125.db2.gz FIYONSRWRNGWBZ-UHFFFAOYSA-N 0 3 192.262 2.148 10 0 AEAEHN CC[C@@H](C)NCc1cnoc1C1CC1 585364214 573931271 /nfs/dbraw/zinc/93/12/71/573931271.db2.gz GWRAATYNXGSXLR-MRVPVSSYSA-N 0 3 194.278 2.440 10 0 AEAEHN CCCN(CC1CC1)[C@@H](C)C(C)=O 42221323 573931665 /nfs/dbraw/zinc/93/16/65/573931665.db2.gz BCTKNLAHVOTWKA-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CNC[C@H](F)CC1CCSCC1 257905241 573934849 /nfs/dbraw/zinc/93/48/49/573934849.db2.gz ZHXKLFSSJXCLSW-SECBINFHSA-N 0 3 191.315 2.077 10 0 AEAEHN CN[C@H](C)c1cc(C2CCCC2)n[nH]1 257909399 573934826 /nfs/dbraw/zinc/93/48/26/573934826.db2.gz ZYFODVHSDVWRHC-MRVPVSSYSA-N 0 3 193.294 2.348 10 0 AEAEHN Cc1oncc1CNC1CCCC1 585365158 573935349 /nfs/dbraw/zinc/93/53/49/573935349.db2.gz LMWCWHRBFSXCJT-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN CC[C@H](C)C(=O)CN(CC)CC1CC1 87536064 573935333 /nfs/dbraw/zinc/93/53/33/573935333.db2.gz FVOFJXKUKRGIRA-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCCCCNCc1cnoc1C 585365180 573935366 /nfs/dbraw/zinc/93/53/66/573935366.db2.gz OVPBRCUZJWULCD-UHFFFAOYSA-N 0 3 182.267 2.263 10 0 AEAEHN CCOC[C@H](N)c1c(C)oc(C)c1C 131764751 573935614 /nfs/dbraw/zinc/93/56/14/573935614.db2.gz ZAGLUQPYTNGISV-JTQLQIEISA-N 0 3 197.278 2.241 10 0 AEAEHN Cc1cc(CN[C@H](C)C2(C)CC2)on1 44986303 573935744 /nfs/dbraw/zinc/93/57/44/573935744.db2.gz YDVGKEOBAHOFQZ-SECBINFHSA-N 0 3 194.278 2.261 10 0 AEAEHN CCOC[C@H](N)c1cccc(C)c1F 131754834 573935802 /nfs/dbraw/zinc/93/58/02/573935802.db2.gz CXSKLHOBXPRCFB-JTQLQIEISA-N 0 3 197.253 2.170 10 0 AEAEHN C[C@@H]1CCO[C@@H]1[C@H](N)c1ccccc1 123111322 573936000 /nfs/dbraw/zinc/93/60/00/573936000.db2.gz YXKPVJKKKKDMMR-JLLWLGSASA-N 0 3 191.274 2.111 10 0 AEAEHN C[C@@H]1CCO[C@H]1[C@H](N)c1ccccc1 123111771 573936275 /nfs/dbraw/zinc/93/62/75/573936275.db2.gz YXKPVJKKKKDMMR-YUSALJHKSA-N 0 3 191.274 2.111 10 0 AEAEHN Cc1cc(C(C)(C)[NH3+])c(F)cc1[O-] 258184218 573939127 /nfs/dbraw/zinc/93/91/27/573939127.db2.gz WTDHELHDJHWZNR-UHFFFAOYSA-N 0 3 183.226 2.034 10 0 AEAEHN CCCCn1ncc(CNCC)c1C 42356024 573939612 /nfs/dbraw/zinc/93/96/12/573939612.db2.gz YYTGLOSQRQYZSB-UHFFFAOYSA-N 0 3 195.310 2.101 10 0 AEAEHN CC1([C@H](N)c2ccoc2)CC1 87550922 573943674 /nfs/dbraw/zinc/94/36/74/573943674.db2.gz RLZIYFKEQTXQKJ-MRVPVSSYSA-N 0 3 151.209 2.080 10 0 AEAEHN CCCC1([C@H](N)c2ccnn2C)CC1 308469574 573943995 /nfs/dbraw/zinc/94/39/95/573943995.db2.gz BGIWRKAZHGXJCQ-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN CCC(CC)n1ncc(CNC)c1C 42356073 573944040 /nfs/dbraw/zinc/94/40/40/573944040.db2.gz SMPAZZKVZCZKOW-UHFFFAOYSA-N 0 3 195.310 2.272 10 0 AEAEHN CN[C@H](c1cncc(F)c1)C1(C)CC1 87551402 573944371 /nfs/dbraw/zinc/94/43/71/573944371.db2.gz GREAXCHIXOJVPJ-SNVBAGLBSA-N 0 3 194.253 2.281 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cncs1 87574118 573948293 /nfs/dbraw/zinc/94/82/93/573948293.db2.gz UDVVMLWUYWJSGL-SVRRBLITSA-N 0 3 170.281 2.189 10 0 AEAEHN CC(C)c1ccc2c(c1)COC[C@@H]2N 238215274 573946774 /nfs/dbraw/zinc/94/67/74/573946774.db2.gz ORXWOMXDVZQCLT-LBPRGKRZSA-N 0 3 191.274 2.340 10 0 AEAEHN CN[C@H](c1ccoc1)C1(C)CC1 87551857 573949192 /nfs/dbraw/zinc/94/91/92/573949192.db2.gz UAZPPXAZBCOLOK-SECBINFHSA-N 0 3 165.236 2.340 10 0 AEAEHN C[C@H](N)c1cnc(C2(C)CC2)s1 87553499 573948397 /nfs/dbraw/zinc/94/83/97/573948397.db2.gz QPZKKGKINADVSM-LURJTMIESA-N 0 3 182.292 2.214 10 0 AEAEHN CNCc1sc(C2(C)CC2)nc1C 87553904 573948516 /nfs/dbraw/zinc/94/85/16/573948516.db2.gz JUNUFYSJVOZBKG-UHFFFAOYSA-N 0 3 196.319 2.222 10 0 AEAEHN CC(C)(C)[C@H](N)c1cncs1 87573938 573948735 /nfs/dbraw/zinc/94/87/35/573948735.db2.gz NEASZEPKCDZBMK-SSDOTTSWSA-N 0 3 170.281 2.189 10 0 AEAEHN Cc1noc([C@H]2CCCS2)c1CN 257914815 573948925 /nfs/dbraw/zinc/94/89/25/573948925.db2.gz XLDYDZNEUDRZJJ-MRVPVSSYSA-N 0 3 198.291 2.010 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cncs1 87573939 573948965 /nfs/dbraw/zinc/94/89/65/573948965.db2.gz NEASZEPKCDZBMK-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN Cc1noc([C@@H]2CCCS2)c1CN 257914820 573950436 /nfs/dbraw/zinc/95/04/36/573950436.db2.gz XLDYDZNEUDRZJJ-QMMMGPOBSA-N 0 3 198.291 2.010 10 0 AEAEHN C[C@@H](N)c1cnc(C2(C)CC2)s1 87553501 573949075 /nfs/dbraw/zinc/94/90/75/573949075.db2.gz QPZKKGKINADVSM-ZCFIWIBFSA-N 0 3 182.292 2.214 10 0 AEAEHN CC(C)c1ccc(N)c(C2(N)CC2)c1 238204305 573949534 /nfs/dbraw/zinc/94/95/34/573949534.db2.gz ATGHEDTYCCPNFP-UHFFFAOYSA-N 0 3 190.290 2.340 10 0 AEAEHN CCCC[C@H](N)c1cncs1 87573984 573949638 /nfs/dbraw/zinc/94/96/38/573949638.db2.gz JFFLAKTVICIKPU-ZETCQYMHSA-N 0 3 170.281 2.333 10 0 AEAEHN CC(C)C[C@@H](N)c1cncs1 87573937 573949697 /nfs/dbraw/zinc/94/96/97/573949697.db2.gz NPZMXHFEIVQZFI-SSDOTTSWSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@H](N)c1csc(C2(C)CC2)n1 87553515 573950472 /nfs/dbraw/zinc/95/04/72/573950472.db2.gz AQDDUBDJHOSHRF-LURJTMIESA-N 0 3 182.292 2.214 10 0 AEAEHN CC(C)Sc1cccc(CN)n1 81596757 573950017 /nfs/dbraw/zinc/95/00/17/573950017.db2.gz NVEYHAANAOWEIU-UHFFFAOYSA-N 0 3 182.292 2.041 10 0 AEAEHN N[C@@H](CC1CCC1)c1cncs1 87573957 573950140 /nfs/dbraw/zinc/95/01/40/573950140.db2.gz IWGJFJQKYYOLGF-QMMMGPOBSA-N 0 3 182.292 2.333 10 0 AEAEHN CN[C@@H](C)c1cnc(C2(C)CC2)s1 87553503 573950264 /nfs/dbraw/zinc/95/02/64/573950264.db2.gz SWMVWUZRSYSXAT-ZETCQYMHSA-N 0 3 196.319 2.475 10 0 AEAEHN CN[C@@H](c1ccco1)C1(C)CC1 87552110 573950325 /nfs/dbraw/zinc/95/03/25/573950325.db2.gz FUDGPUAXZITEKP-VIFPVBQESA-N 0 3 165.236 2.340 10 0 AEAEHN Cc1ccc2noc([C@@H](C)N)c2c1 257915650 573950406 /nfs/dbraw/zinc/95/04/06/573950406.db2.gz QTTOLAASMRIGOC-SSDOTTSWSA-N 0 3 176.219 2.156 10 0 AEAEHN CC(C)C[C@H](N)c1cncs1 87573936 573950610 /nfs/dbraw/zinc/95/06/10/573950610.db2.gz NPZMXHFEIVQZFI-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@@H](N)c1csc(C2(C)CC2)n1 87553517 573950621 /nfs/dbraw/zinc/95/06/21/573950621.db2.gz AQDDUBDJHOSHRF-ZCFIWIBFSA-N 0 3 182.292 2.214 10 0 AEAEHN CN[C@H](C)c1cnc(C2(C)CC2)s1 87553504 573950886 /nfs/dbraw/zinc/95/08/86/573950886.db2.gz SWMVWUZRSYSXAT-SSDOTTSWSA-N 0 3 196.319 2.475 10 0 AEAEHN CCC[C@@H](C)n1ccnc1NC 233286614 573953089 /nfs/dbraw/zinc/95/30/89/573953089.db2.gz LESWQYQQIQVIKX-MRVPVSSYSA-N 0 3 167.256 2.286 10 0 AEAEHN CCN[C@@H](CC)c1cncs1 87574734 573952840 /nfs/dbraw/zinc/95/28/40/573952840.db2.gz XEMXMIMPRMUGNU-ZETCQYMHSA-N 0 3 170.281 2.204 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1cncs1 87575205 573952864 /nfs/dbraw/zinc/95/28/64/573952864.db2.gz WTCJQSOJBIUGDS-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1cncs1 87575204 573953076 /nfs/dbraw/zinc/95/30/76/573953076.db2.gz WTCJQSOJBIUGDS-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1cc(C2([NH3+])CCC2)cc([O-])c1F 258186867 573953032 /nfs/dbraw/zinc/95/30/32/573953032.db2.gz WZPMKBQMOJYVEN-UHFFFAOYSA-N 0 3 195.237 2.178 10 0 AEAEHN CCN[C@H](CC)c1cncs1 87574735 573954451 /nfs/dbraw/zinc/95/44/51/573954451.db2.gz XEMXMIMPRMUGNU-SSDOTTSWSA-N 0 3 170.281 2.204 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1cncs1 87575203 573954102 /nfs/dbraw/zinc/95/41/02/573954102.db2.gz WTCJQSOJBIUGDS-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN NCc1sccc1-c1ccccn1 87576262 573954123 /nfs/dbraw/zinc/95/41/23/573954123.db2.gz SLFIFKLWHKAMMR-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN CN[C@H](c1nccs1)C1CCC1 87585625 573957103 /nfs/dbraw/zinc/95/71/03/573957103.db2.gz MZPYVVXXQXOKBD-QMMMGPOBSA-N 0 3 182.292 2.204 10 0 AEAEHN CCn1c(CN)cc2c(C)cccc21 257912319 573956233 /nfs/dbraw/zinc/95/62/33/573956233.db2.gz NMVCQLPGHZEZMW-UHFFFAOYSA-N 0 3 188.274 2.428 10 0 AEAEHN CCCCNc1nc(C)c(C)cc1N 238209575 573956284 /nfs/dbraw/zinc/95/62/84/573956284.db2.gz FBXGPFQQIUXUFO-UHFFFAOYSA-N 0 3 193.294 2.493 10 0 AEAEHN C[C@H](N)c1coc(CC(C)(C)C)n1 258189047 573956920 /nfs/dbraw/zinc/95/69/20/573956920.db2.gz SLPYPYNOWASXKK-ZETCQYMHSA-N 0 3 182.267 2.283 10 0 AEAEHN C[C@@H]1CCN[C@@H](C2CCC2)S1 87586047 573956942 /nfs/dbraw/zinc/95/69/42/573956942.db2.gz LABXXOZFDSCLPS-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN CN[C@@H](C)c1cc(C)n(C(C)C)n1 257911550 573956959 /nfs/dbraw/zinc/95/69/59/573956959.db2.gz QJVXJFXRNPFGIK-VIFPVBQESA-N 0 3 181.283 2.053 10 0 AEAEHN CN[C@@H](c1nccs1)C1CCC1 87585624 573958251 /nfs/dbraw/zinc/95/82/51/573958251.db2.gz MZPYVVXXQXOKBD-MRVPVSSYSA-N 0 3 182.292 2.204 10 0 AEAEHN CN[C@H](C)c1cc(C)n(C(C)C)n1 257911545 573958531 /nfs/dbraw/zinc/95/85/31/573958531.db2.gz QJVXJFXRNPFGIK-SECBINFHSA-N 0 3 181.283 2.053 10 0 AEAEHN CC(C)C[C@H](C)[C@H](N)c1nccn1C 308471883 573960618 /nfs/dbraw/zinc/96/06/18/573960618.db2.gz JOUONMFGAHLUOL-UWVGGRQHSA-N 0 3 195.310 2.102 10 0 AEAEHN C[C@H]1CCS[C@H](C2CCC2)N1 87586038 573959709 /nfs/dbraw/zinc/95/97/09/573959709.db2.gz NJIDOQRMOALKEK-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CN[C@H](C2CCC2)SC1 87586041 573959736 /nfs/dbraw/zinc/95/97/36/573959736.db2.gz CLPOMHPLPDVQPG-APPZFPTMSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@H]1CCN[C@@H](C2CCC2)S1 87586048 573959761 /nfs/dbraw/zinc/95/97/61/573959761.db2.gz LABXXOZFDSCLPS-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CN[C@@H](C2CCC2)SC1 87586044 573959785 /nfs/dbraw/zinc/95/97/85/573959785.db2.gz CLPOMHPLPDVQPG-IONNQARKSA-N 0 3 171.309 2.085 10 0 AEAEHN C1=NCC2=CCCCC2=C1 222834559 573959840 /nfs/dbraw/zinc/95/98/40/573959840.db2.gz DRWYBDDCDFNRBQ-UHFFFAOYSA-N 0 3 133.194 2.108 10 0 AEAEHN CC(C)c1ccc2c(c1)COC[C@H]2N 238215554 573959934 /nfs/dbraw/zinc/95/99/34/573959934.db2.gz ORXWOMXDVZQCLT-GFCCVEGCSA-N 0 3 191.274 2.340 10 0 AEAEHN C[C@H]1CCS[C@@H](C2CCC2)N1 87586040 573960159 /nfs/dbraw/zinc/96/01/59/573960159.db2.gz NJIDOQRMOALKEK-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN CCCCN(C1CC1)[C@H]1CCCC1=O 42490812 573960238 /nfs/dbraw/zinc/96/02/38/573960238.db2.gz NRNRWAITQBVIGZ-NSHDSACASA-N 0 3 195.306 2.373 10 0 AEAEHN CCCCN(C1CC1)[C@@H]1CCCC1=O 42490811 573960365 /nfs/dbraw/zinc/96/03/65/573960365.db2.gz NRNRWAITQBVIGZ-LLVKDONJSA-N 0 3 195.306 2.373 10 0 AEAEHN CCC[C@@H](C)[C@@H](NC)c1cn(C)cn1 233289655 573960951 /nfs/dbraw/zinc/96/09/51/573960951.db2.gz JBKJRCAUUDNJDM-MWLCHTKSSA-N 0 3 195.310 2.117 10 0 AEAEHN CC(C)c1ccc2c(c1)[C@H](N)CC2=O 238212939 573960966 /nfs/dbraw/zinc/96/09/66/573960966.db2.gz UFZSYPCTOOSXTG-LLVKDONJSA-N 0 3 189.258 2.396 10 0 AEAEHN Cc1cc(C=O)c([C@@H](C)N)cc1C 257913168 573961087 /nfs/dbraw/zinc/96/10/87/573961087.db2.gz AZSFGNJRHQNPJJ-SECBINFHSA-N 0 3 177.247 2.136 10 0 AEAEHN CC(=O)[C@@H](C)N(C)CC1CCCCC1 42493778 573961117 /nfs/dbraw/zinc/96/11/17/573961117.db2.gz VHKHBJAIOJLCRZ-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(=O)[C@H](C)N(C)CC1CCCCC1 42493777 573961242 /nfs/dbraw/zinc/96/12/42/573961242.db2.gz VHKHBJAIOJLCRZ-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)C[C@@H](C)[C@@H](N)c1nccn1C 308471882 573961594 /nfs/dbraw/zinc/96/15/94/573961594.db2.gz JOUONMFGAHLUOL-NXEZZACHSA-N 0 3 195.310 2.102 10 0 AEAEHN CN[C@H](CC(C)=O)c1ccc(C)cc1 259251139 573961690 /nfs/dbraw/zinc/96/16/90/573961690.db2.gz HGVWCIPWSSGVNP-GFCCVEGCSA-N 0 3 191.274 2.235 10 0 AEAEHN CCc1ncc2c(C)cccn12 258191016 573961696 /nfs/dbraw/zinc/96/16/96/573961696.db2.gz JLQKULFPOYZDGY-UHFFFAOYSA-N 0 3 160.220 2.205 10 0 AEAEHN CC(=O)CC[C@H](N)c1cccs1 259252651 573961752 /nfs/dbraw/zinc/96/17/52/573961752.db2.gz GLSSBOBYYHWNNS-QMMMGPOBSA-N 0 3 183.276 2.117 10 0 AEAEHN NC1(c2ccc3c(c2F)CCC3)CC1 258189526 573961893 /nfs/dbraw/zinc/96/18/93/573961893.db2.gz XFCJBJPSJJFDAK-UHFFFAOYSA-N 0 3 191.249 2.262 10 0 AEAEHN C[C@H](N)c1cn2cccc(Cl)c2n1 76792823 573962073 /nfs/dbraw/zinc/96/20/73/573962073.db2.gz VBHMVCZTHJTZDJ-LURJTMIESA-N 0 3 195.653 2.007 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cscn1 87594389 573965117 /nfs/dbraw/zinc/96/51/17/573965117.db2.gz VBIZFDBPYNNLMF-XPUUQOCRSA-N 0 3 170.281 2.189 10 0 AEAEHN CC(=O)CC[C@@H](N)c1cccs1 259252646 573965154 /nfs/dbraw/zinc/96/51/54/573965154.db2.gz GLSSBOBYYHWNNS-MRVPVSSYSA-N 0 3 183.276 2.117 10 0 AEAEHN CN[C@@H](CC(C)=O)c1ccc(C)cc1 259251143 573965163 /nfs/dbraw/zinc/96/51/63/573965163.db2.gz HGVWCIPWSSGVNP-LBPRGKRZSA-N 0 3 191.274 2.235 10 0 AEAEHN Cc1c(CC(C)C)nc2n1CCCN2 259252885 573966459 /nfs/dbraw/zinc/96/64/59/573966459.db2.gz PUPYXNPEHAVBAQ-UHFFFAOYSA-N 0 3 193.294 2.206 10 0 AEAEHN CN(C)[C@@H](c1cccs1)C(C)(C)O 259588297 573966866 /nfs/dbraw/zinc/96/68/66/573966866.db2.gz QCFYOZVXLSKINR-VIFPVBQESA-N 0 3 199.319 2.122 10 0 AEAEHN N[C@H](CC1CCC1)c1cscn1 87589610 573968290 /nfs/dbraw/zinc/96/82/90/573968290.db2.gz KWKLBXMNYGINOO-MRVPVSSYSA-N 0 3 182.292 2.333 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cscn1 87594387 573968228 /nfs/dbraw/zinc/96/82/28/573968228.db2.gz VBIZFDBPYNNLMF-SVRRBLITSA-N 0 3 170.281 2.189 10 0 AEAEHN CN[C@@H](c1cscn1)C(C)(C)C 87594735 573968248 /nfs/dbraw/zinc/96/82/48/573968248.db2.gz GFEITLSMGNTQAX-QMMMGPOBSA-N 0 3 184.308 2.450 10 0 AEAEHN N[C@@H](CC1CCC1)c1cscn1 87589611 573968777 /nfs/dbraw/zinc/96/87/77/573968777.db2.gz KWKLBXMNYGINOO-QMMMGPOBSA-N 0 3 182.292 2.333 10 0 AEAEHN CCN[C@H](CC)c1cscn1 87595429 573968850 /nfs/dbraw/zinc/96/88/50/573968850.db2.gz CMBARPWVMVCBDU-SSDOTTSWSA-N 0 3 170.281 2.204 10 0 AEAEHN CC(=O)[C@H](C)N(CC(C)C)C1CC1 42558449 573968914 /nfs/dbraw/zinc/96/89/14/573968914.db2.gz MUGDKQVPACVYNJ-VIFPVBQESA-N 0 3 183.295 2.084 10 0 AEAEHN CCC[C@@H](N)c1c(N)ccnc1Cl 238228026 573969035 /nfs/dbraw/zinc/96/90/35/573969035.db2.gz SKQRGXDPTBZIAL-ZCFIWIBFSA-N 0 3 199.685 2.117 10 0 AEAEHN CC(=O)[C@@H](C)N(CC(C)C)C1CC1 42558452 573970584 /nfs/dbraw/zinc/97/05/84/573970584.db2.gz MUGDKQVPACVYNJ-SECBINFHSA-N 0 3 183.295 2.084 10 0 AEAEHN CCOC[C@H](N)c1ccc(C)cc1F 131791633 573974664 /nfs/dbraw/zinc/97/46/64/573974664.db2.gz JMHUMZXORDRYQA-NSHDSACASA-N 0 3 197.253 2.170 10 0 AEAEHN CCOC[C@@H](N)c1ccc(C)cc1F 131791851 573974677 /nfs/dbraw/zinc/97/46/77/573974677.db2.gz JMHUMZXORDRYQA-LLVKDONJSA-N 0 3 197.253 2.170 10 0 AEAEHN CCNCSC1CCCC1 259253603 573974470 /nfs/dbraw/zinc/97/44/70/573974470.db2.gz PFSAFJZAOHNPJN-UHFFFAOYSA-N 0 3 159.298 2.229 10 0 AEAEHN C[C@@H]1CN[C@@](C)(C2(C)CC2)S1 87602791 573977216 /nfs/dbraw/zinc/97/72/16/573977216.db2.gz ZIGLTBRECJRGGR-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CN[C@](C)(C2(C)CC2)S1 87602793 573978895 /nfs/dbraw/zinc/97/88/95/573978895.db2.gz ZIGLTBRECJRGGR-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@H](C)[C@H](C)N[C@@H](C)c1cc[nH]n1 42554367 573979145 /nfs/dbraw/zinc/97/91/45/573979145.db2.gz UGDHEHMMWZBHQR-GUBZILKMSA-N 0 3 195.310 2.495 10 0 AEAEHN C[C@@H]1CS[C@@](C)(C2(C)CC2)N1 87603306 573979195 /nfs/dbraw/zinc/97/91/95/573979195.db2.gz AZRLXHVRTTZUPB-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@@H]1CC[C@@]2(C1)NCCS2 87602430 573979204 /nfs/dbraw/zinc/97/92/04/573979204.db2.gz TWJNMSCQKMAJGK-RKDXNWHRSA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@@H](C)[C@H](C)N[C@@H](C)c1cc[nH]n1 42554364 573979370 /nfs/dbraw/zinc/97/93/70/573979370.db2.gz UGDHEHMMWZBHQR-UTLUCORTSA-N 0 3 195.310 2.495 10 0 AEAEHN C[C@@H]1CS[C@](C)(C2(C)CC2)N1 87603308 573979453 /nfs/dbraw/zinc/97/94/53/573979453.db2.gz AZRLXHVRTTZUPB-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN Cc1ccc(C2(N)CCC2)c(C=O)c1 258194439 573981019 /nfs/dbraw/zinc/98/10/19/573981019.db2.gz XTWUYILLIVCONU-UHFFFAOYSA-N 0 3 189.258 2.145 10 0 AEAEHN CC[C@H]1CC[C@@]2(C1)NCCS2 87602431 573980470 /nfs/dbraw/zinc/98/04/70/573980470.db2.gz TWJNMSCQKMAJGK-DTWKUNHWSA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@H](N[C@H](C)c1cc[nH]n1)C(C)C 42586412 573980495 /nfs/dbraw/zinc/98/04/95/573980495.db2.gz AHMXFNLSQUDNKV-ZJUUUORDSA-N 0 3 195.310 2.495 10 0 AEAEHN C[C@H]1CN[C@](C)(C2(C)CC2)S1 87602794 573980518 /nfs/dbraw/zinc/98/05/18/573980518.db2.gz ZIGLTBRECJRGGR-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@@H](N[C@@H](C)c1cc[nH]n1)C(C)C 42586409 573980535 /nfs/dbraw/zinc/98/05/35/573980535.db2.gz AHMXFNLSQUDNKV-VHSXEESVSA-N 0 3 195.310 2.495 10 0 AEAEHN CC[C@@H](C)[C@@H](C)N[C@@H](C)c1cc[nH]n1 42554358 573980555 /nfs/dbraw/zinc/98/05/55/573980555.db2.gz UGDHEHMMWZBHQR-BBBLOLIVSA-N 0 3 195.310 2.495 10 0 AEAEHN CC[C@H]1CC[C@]2(C1)NCCS2 87602433 573980848 /nfs/dbraw/zinc/98/08/48/573980848.db2.gz TWJNMSCQKMAJGK-IUCAKERBSA-N 0 3 171.309 2.229 10 0 AEAEHN CC(C)[C@]1(C)NCCCS1 87603842 573981197 /nfs/dbraw/zinc/98/11/97/573981197.db2.gz ZEPBGWMQMIXJFB-MRVPVSSYSA-N 0 3 159.298 2.085 10 0 AEAEHN CCC[C@]1(C)NC[C@@H](C)CS1 87604605 573981218 /nfs/dbraw/zinc/98/12/18/573981218.db2.gz GEKQEEOQWKFOJX-RKDXNWHRSA-N 0 3 173.325 2.475 10 0 AEAEHN C[C@H]1CN[C@](C)(C2CC2)SC1 87604776 573981225 /nfs/dbraw/zinc/98/12/25/573981225.db2.gz LUVOXWGBDLQJHY-CBAPKCEASA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@H]1CCNC2(CCCC2)S1 87604872 573981277 /nfs/dbraw/zinc/98/12/77/573981277.db2.gz BQGXBTXLQHHADE-QMMMGPOBSA-N 0 3 171.309 2.372 10 0 AEAEHN C[C@@H]1CC[C@@]2(C1)NCCCS2 87603801 573981288 /nfs/dbraw/zinc/98/12/88/573981288.db2.gz FKJFJLHRFDXUCR-RKDXNWHRSA-N 0 3 171.309 2.229 10 0 AEAEHN CC(C)[C@@]1(C)NC[C@H](C)CS1 87604780 573983175 /nfs/dbraw/zinc/98/31/75/573983175.db2.gz PMLSZNOTBQBJMI-IUCAKERBSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)C[C@]1(C)NCCCS1 87603713 573981349 /nfs/dbraw/zinc/98/13/49/573981349.db2.gz NALYNKFOJLTWPN-SECBINFHSA-N 0 3 173.325 2.475 10 0 AEAEHN CCC1(CC)NC[C@@H](C)CS1 87604694 573981387 /nfs/dbraw/zinc/98/13/87/573981387.db2.gz FEFCKZIBPWNJTN-MRVPVSSYSA-N 0 3 173.325 2.475 10 0 AEAEHN CCC[C@@]1(C)NC[C@H](C)CS1 87604604 573981506 /nfs/dbraw/zinc/98/15/06/573981506.db2.gz GEKQEEOQWKFOJX-IUCAKERBSA-N 0 3 173.325 2.475 10 0 AEAEHN CC[C@@H](C)[C@]1(C)NCCCS1 87603844 573981546 /nfs/dbraw/zinc/98/15/46/573981546.db2.gz ZWLKCHIHZCOQAP-RKDXNWHRSA-N 0 3 173.325 2.475 10 0 AEAEHN CC[C@@]1(C)NCC[C@@H](C)S1 87605054 573981591 /nfs/dbraw/zinc/98/15/91/573981591.db2.gz YXALMOHNETUBDJ-SFYZADRCSA-N 0 3 159.298 2.228 10 0 AEAEHN CCC[C@@]1(C)NCCCS1 87603725 573981655 /nfs/dbraw/zinc/98/16/55/573981655.db2.gz JZPGGCVGPHDMQN-QMMMGPOBSA-N 0 3 159.298 2.229 10 0 AEAEHN C[C@@H]1CCN[C@@](C)(C2CC2)S1 87605251 573983203 /nfs/dbraw/zinc/98/32/03/573983203.db2.gz DPLWHJTWSKGPPW-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1([C@@]2(C)NCCCS2)CC1 87603723 573983217 /nfs/dbraw/zinc/98/32/17/573983217.db2.gz ZHKLHLDGIDYBDP-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@H]1CC[C@]2(C1)NCCCS2 87603804 573982004 /nfs/dbraw/zinc/98/20/04/573982004.db2.gz FKJFJLHRFDXUCR-IUCAKERBSA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@]1(C2CC2)NC[C@@H](C)CS1 87604639 573982019 /nfs/dbraw/zinc/98/20/19/573982019.db2.gz YVGVSUVIYMYMGG-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN CC[C@H](C)[C@]1(C)NCCCS1 87603845 573982160 /nfs/dbraw/zinc/98/21/60/573982160.db2.gz ZWLKCHIHZCOQAP-DTWKUNHWSA-N 0 3 173.325 2.475 10 0 AEAEHN CC(C)[C@@]1(C)NCC[C@H](C)S1 87605258 573982175 /nfs/dbraw/zinc/98/21/75/573982175.db2.gz POQZJWVOYHJQGU-IUCAKERBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)[C@]1(C)N[C@@H](C)CCS1 87604302 573983237 /nfs/dbraw/zinc/98/32/37/573983237.db2.gz MQGJUYQOIXTPGX-DTWKUNHWSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC[C@]1(C)NCCCS1 87603724 573982279 /nfs/dbraw/zinc/98/22/79/573982279.db2.gz JZPGGCVGPHDMQN-MRVPVSSYSA-N 0 3 159.298 2.229 10 0 AEAEHN C[C@@H]1CCS[C@@](C)(C2CC2)N1 87604295 573982299 /nfs/dbraw/zinc/98/22/99/573982299.db2.gz BSCFYJGFPUWQNG-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@@]1(C)NC[C@H](C)CS1 87604574 573982328 /nfs/dbraw/zinc/98/23/28/573982328.db2.gz RGIRZCZVTDFDQF-YUMQZZPRSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@@]1(C2CC2)NC[C@H](C)CS1 87604638 573982426 /nfs/dbraw/zinc/98/24/26/573982426.db2.gz YVGVSUVIYMYMGG-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN CC(C)[C@@]1(C)NC[C@@H](C)CS1 87604779 573982468 /nfs/dbraw/zinc/98/24/68/573982468.db2.gz PMLSZNOTBQBJMI-BDAKNGLRSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)[C@]1(C)N[C@H](C)CCS1 87604301 573982498 /nfs/dbraw/zinc/98/24/98/573982498.db2.gz MQGJUYQOIXTPGX-RKDXNWHRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)[C@@]1(C)NCCCS1 87603843 573982521 /nfs/dbraw/zinc/98/25/21/573982521.db2.gz ZEPBGWMQMIXJFB-QMMMGPOBSA-N 0 3 159.298 2.085 10 0 AEAEHN C[C@@H]1CN[C@@](C)(C2CC2)SC1 87604773 573982552 /nfs/dbraw/zinc/98/25/52/573982552.db2.gz LUVOXWGBDLQJHY-VXNVDRBHSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@H]1CN[C@@](C)(C2(C)CC2)SC1 87604600 573982576 /nfs/dbraw/zinc/98/25/76/573982576.db2.gz JGSSGESXNFBBML-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN CC[C@]1(C)NC[C@@H](C)CS1 87604575 573982590 /nfs/dbraw/zinc/98/25/90/573982590.db2.gz RGIRZCZVTDFDQF-HTQZYQBOSA-N 0 3 159.298 2.085 10 0 AEAEHN C[C@H]1CCS[C@](C)(C2CC2)N1 87604298 573982619 /nfs/dbraw/zinc/98/26/19/573982619.db2.gz BSCFYJGFPUWQNG-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN CC(C)C[C@@]1(C)NCCCS1 87603714 573982635 /nfs/dbraw/zinc/98/26/35/573982635.db2.gz NALYNKFOJLTWPN-VIFPVBQESA-N 0 3 173.325 2.475 10 0 AEAEHN CC[C@@]1(C2CC2)NC[C@@H](C)CS1 87604640 573982675 /nfs/dbraw/zinc/98/26/75/573982675.db2.gz YVGVSUVIYMYMGG-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN CC(C)[C@]1(C)NC[C@@H](C)CS1 87604777 573982688 /nfs/dbraw/zinc/98/26/88/573982688.db2.gz PMLSZNOTBQBJMI-RKDXNWHRSA-N 0 3 173.325 2.331 10 0 AEAEHN CC[C@@H](C)[C@@]1(C)NCCCS1 87603846 573982720 /nfs/dbraw/zinc/98/27/20/573982720.db2.gz ZWLKCHIHZCOQAP-BDAKNGLRSA-N 0 3 173.325 2.475 10 0 AEAEHN C[C@H]1CN[C@@](C)(C2CC2)SC1 87604774 573982727 /nfs/dbraw/zinc/98/27/27/573982727.db2.gz LUVOXWGBDLQJHY-IONNQARKSA-N 0 3 171.309 2.085 10 0 AEAEHN CC(C)[C@@]1(C)N[C@@H](C)CCS1 87604300 573982734 /nfs/dbraw/zinc/98/27/34/573982734.db2.gz MQGJUYQOIXTPGX-IUCAKERBSA-N 0 3 173.325 2.474 10 0 AEAEHN C[C@@H]1CCNC2(CCCC2)S1 87604871 573982752 /nfs/dbraw/zinc/98/27/52/573982752.db2.gz BQGXBTXLQHHADE-MRVPVSSYSA-N 0 3 171.309 2.372 10 0 AEAEHN CC[C@]1(C)NCC[C@@H](C)S1 87605053 573982826 /nfs/dbraw/zinc/98/28/26/573982826.db2.gz YXALMOHNETUBDJ-HTQZYQBOSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@H]1CC[C@@]2(C1)NCCCS2 87603802 573982924 /nfs/dbraw/zinc/98/29/24/573982924.db2.gz FKJFJLHRFDXUCR-DTWKUNHWSA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@]1(C)N[C@H](C)CCS1 87604095 573982964 /nfs/dbraw/zinc/98/29/64/573982964.db2.gz JYQRQSYXCRAGOP-HTQZYQBOSA-N 0 3 159.298 2.228 10 0 AEAEHN CC[C@@]1(C)NC[C@@H](C)CS1 87604576 573982979 /nfs/dbraw/zinc/98/29/79/573982979.db2.gz RGIRZCZVTDFDQF-SFYZADRCSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@]1(C)N[C@@H](C)CCS1 87604097 573983036 /nfs/dbraw/zinc/98/30/36/573983036.db2.gz JYQRQSYXCRAGOP-JGVFFNPUSA-N 0 3 159.298 2.228 10 0 AEAEHN CC(C)[C@]1(C)NCC[C@H](C)S1 87605256 573983064 /nfs/dbraw/zinc/98/30/64/573983064.db2.gz POQZJWVOYHJQGU-DTWKUNHWSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC[C@]1(C)NC[C@H](C)CS1 87604603 573983082 /nfs/dbraw/zinc/98/30/82/573983082.db2.gz GEKQEEOQWKFOJX-DTWKUNHWSA-N 0 3 173.325 2.475 10 0 AEAEHN C[C@@H]1CC[C@]2(C1)NCCCS2 87603803 573983092 /nfs/dbraw/zinc/98/30/92/573983092.db2.gz FKJFJLHRFDXUCR-BDAKNGLRSA-N 0 3 171.309 2.229 10 0 AEAEHN CC1(C)CNCc2cc(Cl)cnc21 238226041 573986882 /nfs/dbraw/zinc/98/68/82/573986882.db2.gz JGMDGHKLTMGJOX-UHFFFAOYSA-N 0 3 196.681 2.116 10 0 AEAEHN CC[C@@H](N)c1ncccc1Cl 104456926 573987753 /nfs/dbraw/zinc/98/77/53/573987753.db2.gz OQBOFNYWYYHMMZ-SSDOTTSWSA-N 0 3 170.643 2.145 10 0 AEAEHN CCCc1cccc2c1OCC[C@@H]2N 104460565 573987806 /nfs/dbraw/zinc/98/78/06/573987806.db2.gz GWBKUTVPGBOEPE-NSHDSACASA-N 0 3 191.274 2.421 10 0 AEAEHN CN[C@@H]1CCc2cc(F)cc(F)c21 104459568 573987955 /nfs/dbraw/zinc/98/79/55/573987955.db2.gz DRAHJFQHDOONTD-SECBINFHSA-N 0 3 183.201 2.172 10 0 AEAEHN CCCC1([C@H]2CNC[C@@H](C)O2)CCC1 686133296 573988009 /nfs/dbraw/zinc/98/80/09/573988009.db2.gz UZEHLYGKTPQMNC-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCc1ccc([C@H]2CCN2)o1 104455036 573988097 /nfs/dbraw/zinc/98/80/97/573988097.db2.gz MNYFBRFZRMEPAH-SECBINFHSA-N 0 3 165.236 2.267 10 0 AEAEHN CCC(C)(C)[C@H](NC)c1nccn1C 128003394 573988326 /nfs/dbraw/zinc/98/83/26/573988326.db2.gz JJRWDFCEKHUJPS-SECBINFHSA-N 0 3 195.310 2.117 10 0 AEAEHN CN[C@H]1CCc2cc(F)cc(F)c21 104459572 573988741 /nfs/dbraw/zinc/98/87/41/573988741.db2.gz DRAHJFQHDOONTD-VIFPVBQESA-N 0 3 183.201 2.172 10 0 AEAEHN CCC(C)(C)[C@@H](NC)c1nccn1C 128003628 573988809 /nfs/dbraw/zinc/98/88/09/573988809.db2.gz JJRWDFCEKHUJPS-VIFPVBQESA-N 0 3 195.310 2.117 10 0 AEAEHN [O-]c1ccc([C@@H]2CC[NH2+]2)c(Cl)c1 104458873 573989744 /nfs/dbraw/zinc/98/97/44/573989744.db2.gz JDTUDMYWPWYXAQ-VIFPVBQESA-N 0 3 183.638 2.080 10 0 AEAEHN CCCC1([C@H]2CNC[C@H](C)O2)CCC1 686133300 573990063 /nfs/dbraw/zinc/99/00/63/573990063.db2.gz UZEHLYGKTPQMNC-WDEREUQCSA-N 0 3 197.322 2.334 10 0 AEAEHN CSC(=N)c1ccc2nc[nH]c2c1 259259939 573989897 /nfs/dbraw/zinc/98/98/97/573989897.db2.gz QJRVRRKULYPHIX-UHFFFAOYSA-N 0 3 191.259 2.251 10 0 AEAEHN CCC[C@H]1NC[C@H](C)C1(F)F 238233229 573993331 /nfs/dbraw/zinc/99/33/31/573993331.db2.gz FRMIFLXDRLIICS-NKWVEPMBSA-N 0 3 163.211 2.030 10 0 AEAEHN [NH3+][C@H](CC1CC1)c1cc([O-])cc(F)c1 104472902 573996493 /nfs/dbraw/zinc/99/64/93/573996493.db2.gz HIOKKNGBDCMQRR-LLVKDONJSA-N 0 3 195.237 2.331 10 0 AEAEHN [O-]c1cc([C@H]2CCCC[NH2+]2)ccc1F 104472895 573996594 /nfs/dbraw/zinc/99/65/94/573996594.db2.gz LJDVXDCNUHDWNR-SNVBAGLBSA-N 0 3 195.237 2.346 10 0 AEAEHN CCC[C@@H](N)c1ccc(Cl)nc1N 238235551 573996878 /nfs/dbraw/zinc/99/68/78/573996878.db2.gz PMUBSBOCPYCCJD-SSDOTTSWSA-N 0 3 199.685 2.117 10 0 AEAEHN CCC(CC)CC(=O)CCN(C)C 127930219 573996982 /nfs/dbraw/zinc/99/69/82/573996982.db2.gz APLMYAQGNWJNRF-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN CCC1=C(C)SC[C@@H](C)N1 238236384 573998525 /nfs/dbraw/zinc/99/85/25/573998525.db2.gz NHYNAICEQOUFSK-ZCFIWIBFSA-N 0 3 157.282 2.353 10 0 AEAEHN N[C@H](CC1CC1)c1cc(O)ccc1F 104483917 573998647 /nfs/dbraw/zinc/99/86/47/573998647.db2.gz KLTJICQTOBBCBB-LLVKDONJSA-N 0 3 195.237 2.331 10 0 AEAEHN [O-]c1cc(F)cc([C@@H]2CCCC[NH2+]2)c1 104483012 573998801 /nfs/dbraw/zinc/99/88/01/573998801.db2.gz NTOMQBDYXMUTIF-NSHDSACASA-N 0 3 195.237 2.346 10 0 AEAEHN CSc1ccc2c(c1)OCC[C@H]2N 104478691 573999739 /nfs/dbraw/zinc/99/97/39/573999739.db2.gz FJNJSULXQCKPPV-SECBINFHSA-N 0 3 195.287 2.191 10 0 AEAEHN [O-]c1cc([C@@H]2CCCC[NH2+]2)ccc1F 104482389 573999862 /nfs/dbraw/zinc/99/98/62/573999862.db2.gz LJDVXDCNUHDWNR-JTQLQIEISA-N 0 3 195.237 2.346 10 0 AEAEHN CCC[C@@H](N)c1cccc2ccnn12 238239126 574001700 /nfs/dbraw/zinc/00/17/00/574001700.db2.gz CQZNDHKNMVVWJL-SNVBAGLBSA-N 0 3 189.262 2.134 10 0 AEAEHN COc1ccc(O)cc1[C@H](N)C(C)C 104481830 574002150 /nfs/dbraw/zinc/00/21/50/574002150.db2.gz JRSXJCZVMCYUMT-LLVKDONJSA-N 0 3 195.262 2.057 10 0 AEAEHN [O-]c1cc(F)cc([C@H]2CCCC[NH2+]2)c1 104483016 574002245 /nfs/dbraw/zinc/00/22/45/574002245.db2.gz NTOMQBDYXMUTIF-LLVKDONJSA-N 0 3 195.237 2.346 10 0 AEAEHN CCc1c(C)sc(N)c1C1(N)CC1 104484079 574002277 /nfs/dbraw/zinc/00/22/77/574002277.db2.gz WFLOPHGABYEQKZ-UHFFFAOYSA-N 0 3 196.319 2.149 10 0 AEAEHN COc1cccc(Cl)c1[C@@H]1CCN1 104485806 574003071 /nfs/dbraw/zinc/00/30/71/574003071.db2.gz UPCRXGYMOHGJEV-QMMMGPOBSA-N 0 3 197.665 2.383 10 0 AEAEHN COc1c(Cl)cccc1[C@@H]1CCN1 104485835 574003604 /nfs/dbraw/zinc/00/36/04/574003604.db2.gz KIPDTLHAFDEOCG-VIFPVBQESA-N 0 3 197.665 2.383 10 0 AEAEHN N[C@@H]1CCOc2c(C(F)F)cccc21 104486103 574003619 /nfs/dbraw/zinc/00/36/19/574003619.db2.gz AJYTYYXCKBAYHT-MRVPVSSYSA-N 0 3 199.200 2.407 10 0 AEAEHN CC[C@@H](N)c1cc2cc(N)ccc2o1 104487075 574004536 /nfs/dbraw/zinc/00/45/36/574004536.db2.gz OGFMDPOXIGFVPN-SECBINFHSA-N 0 3 190.246 2.425 10 0 AEAEHN CCc1nc([C@H]2CCCN2)oc1CC 258200124 574004573 /nfs/dbraw/zinc/00/45/73/574004573.db2.gz WTROKGKMJBPYAE-SECBINFHSA-N 0 3 194.278 2.224 10 0 AEAEHN OCc1sccc1[C@@H]1CCCCN1 104485774 574006763 /nfs/dbraw/zinc/00/67/63/574006763.db2.gz AZUHRZUMLIRIJM-VIFPVBQESA-N 0 3 197.303 2.055 10 0 AEAEHN COC[C@H](N)c1cccc(Cl)c1C 104494080 574011539 /nfs/dbraw/zinc/01/15/39/574011539.db2.gz JYVPBVRIIGZUDD-JTQLQIEISA-N 0 3 199.681 2.295 10 0 AEAEHN C[C@H](N)c1cc(Cl)ncc1Cl 104487169 574006082 /nfs/dbraw/zinc/00/60/82/574006082.db2.gz DNXIHOWATSWKAY-BYPYZUCNSA-N 0 3 191.061 2.408 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H](C)O)c(Cl)c1 104489308 574006146 /nfs/dbraw/zinc/00/61/46/574006146.db2.gz MAGFXCSWWMQYOF-GMSGAONNSA-N 0 3 199.681 2.029 10 0 AEAEHN C[C@H](N)c1ccnc(Cl)c1Cl 104488488 574006160 /nfs/dbraw/zinc/00/61/60/574006160.db2.gz GOVLFNYUCOPNMG-BYPYZUCNSA-N 0 3 191.061 2.408 10 0 AEAEHN CC(C)n1cncc1CNC1CCC1 85188258 574006185 /nfs/dbraw/zinc/00/61/85/574006185.db2.gz SHUXJSDOVCXPFP-UHFFFAOYSA-N 0 3 193.294 2.106 10 0 AEAEHN Cc1ccc([C@H](N)[C@H](C)O)c(Cl)c1 104489320 574006405 /nfs/dbraw/zinc/00/64/05/574006405.db2.gz MAGFXCSWWMQYOF-OIBJUYFYSA-N 0 3 199.681 2.029 10 0 AEAEHN N[C@H]1CCOc2cc(C(F)F)ccc21 104486073 574006619 /nfs/dbraw/zinc/00/66/19/574006619.db2.gz RVPXQHSKEBKVDV-QMMMGPOBSA-N 0 3 199.200 2.407 10 0 AEAEHN COC[C@H](N)c1ccc(C)cc1Cl 104494068 574009028 /nfs/dbraw/zinc/00/90/28/574009028.db2.gz XXOUAEULHPSOEJ-JTQLQIEISA-N 0 3 199.681 2.295 10 0 AEAEHN COc1cc(Cl)ccc1[C@H]1CCN1 104493681 574008994 /nfs/dbraw/zinc/00/89/94/574008994.db2.gz PBRVSFZSZQADIZ-SECBINFHSA-N 0 3 197.665 2.383 10 0 AEAEHN COC[C@@H](N)c1ccc(C)c(Cl)c1 104492673 574010283 /nfs/dbraw/zinc/01/02/83/574010283.db2.gz JANJKYYRMAQRCI-SNVBAGLBSA-N 0 3 199.681 2.295 10 0 AEAEHN COC[C@@H](N)c1ccc(C)cc1Cl 104494063 574010170 /nfs/dbraw/zinc/01/01/70/574010170.db2.gz XXOUAEULHPSOEJ-SNVBAGLBSA-N 0 3 199.681 2.295 10 0 AEAEHN COc1c([C@H](C)N)cc(C)c(C)c1O 258203222 574010248 /nfs/dbraw/zinc/01/02/48/574010248.db2.gz YPUVIOXORGJXHM-QMMMGPOBSA-N 0 3 195.262 2.037 10 0 AEAEHN Cc1cc(C2([NH3+])CCC2)c(F)cc1[O-] 258203018 574010303 /nfs/dbraw/zinc/01/03/03/574010303.db2.gz YNDCMZTVLMQFMT-UHFFFAOYSA-N 0 3 195.237 2.178 10 0 AEAEHN CC(C)[C@H](N)c1ccc(F)nc1F 104494227 574010325 /nfs/dbraw/zinc/01/03/25/574010325.db2.gz TZNYSJHQBOCAOK-QMMMGPOBSA-N 0 3 186.205 2.016 10 0 AEAEHN CC(C)[C@@H](N)c1ccc(F)nc1F 104494231 574010333 /nfs/dbraw/zinc/01/03/33/574010333.db2.gz TZNYSJHQBOCAOK-MRVPVSSYSA-N 0 3 186.205 2.016 10 0 AEAEHN CC1=CNC=N[C@H]1c1ccccc1 238246097 574010578 /nfs/dbraw/zinc/01/05/78/574010578.db2.gz LVTVJSUWJYWCTD-LLVKDONJSA-N 0 3 172.231 2.263 10 0 AEAEHN Cc1c(Cl)cccc1[C@H](N)[C@H](C)O 104489353 574010615 /nfs/dbraw/zinc/01/06/15/574010615.db2.gz ZBGMXBVPJCMLOX-OIBJUYFYSA-N 0 3 199.681 2.029 10 0 AEAEHN COC[C@H](N)c1cc(Cl)ccc1C 104494032 574010639 /nfs/dbraw/zinc/01/06/39/574010639.db2.gz MXRXQYSGMVLMIU-JTQLQIEISA-N 0 3 199.681 2.295 10 0 AEAEHN CCC(CC)C[C@@H](N)c1cnccn1 128047885 574012800 /nfs/dbraw/zinc/01/28/00/574012800.db2.gz YAZPAGIYJBRERF-SNVBAGLBSA-N 0 3 193.294 2.303 10 0 AEAEHN CCC[C@H](N)c1ncc(Cl)cc1N 104496712 574012410 /nfs/dbraw/zinc/01/24/10/574012410.db2.gz KRKYKJCMALMVFN-ZETCQYMHSA-N 0 3 199.685 2.117 10 0 AEAEHN C[C@@H]1CCC[C@@H](n2cncc2CN)C1 85196835 574012665 /nfs/dbraw/zinc/01/26/65/574012665.db2.gz QMCUBNNKNJNXCB-NXEZZACHSA-N 0 3 193.294 2.093 10 0 AEAEHN CCC[C@@H](N)c1ncc(F)cc1F 104495622 574014219 /nfs/dbraw/zinc/01/42/19/574014219.db2.gz ZLDHCCBVXRYYBS-MRVPVSSYSA-N 0 3 186.205 2.160 10 0 AEAEHN CC[C@@H](C)[C@@](C)(N)C(F)F 87688200 574013644 /nfs/dbraw/zinc/01/36/44/574013644.db2.gz YWDMMBLGITXXJV-IYSWYEEDSA-N 0 3 151.200 2.015 10 0 AEAEHN C=Cc1ccnc([C@@H](C)NC)c1 209789743 574013676 /nfs/dbraw/zinc/01/36/76/574013676.db2.gz ADKVRZRIUXWRSN-MRVPVSSYSA-N 0 3 162.236 2.005 10 0 AEAEHN C[C@H]1CC[C@@H](C)C[C@@]1(N)C(F)F 87688083 574013809 /nfs/dbraw/zinc/01/38/09/574013809.db2.gz AGKYPVQPEHLMGS-FJXKBIBVSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H](N)c1cc(Br)co1 104495942 574013830 /nfs/dbraw/zinc/01/38/30/574013830.db2.gz NWSKVOFAFFBJKH-SCSAIBSYSA-N 0 3 190.040 2.062 10 0 AEAEHN CC1CCC(N)(C(F)F)CC1 87688290 574013866 /nfs/dbraw/zinc/01/38/66/574013866.db2.gz KGOGNHPCUDKUGB-UHFFFAOYSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@@H]1CCC[C@@H](C)C1(N)C(F)F 87687977 574013883 /nfs/dbraw/zinc/01/38/83/574013883.db2.gz QPCQWWTVBZNPNU-RNFRBKRXSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@@H]1CC[C@](N)(C(F)F)C1 87688161 574014175 /nfs/dbraw/zinc/01/41/75/574014175.db2.gz XCCCOVNZIQZZAF-HTRCEHHLSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@H](N)c1cc(Br)co1 104495935 574013960 /nfs/dbraw/zinc/01/39/60/574013960.db2.gz NWSKVOFAFFBJKH-BYPYZUCNSA-N 0 3 190.040 2.062 10 0 AEAEHN N[C@H]1COc2cc3ccccc3cc21 104496764 574013998 /nfs/dbraw/zinc/01/39/98/574013998.db2.gz KITCDERHQOXDGS-NSHDSACASA-N 0 3 185.226 2.232 10 0 AEAEHN CCC[C@@H](N)c1c(F)cncc1F 104495605 574014059 /nfs/dbraw/zinc/01/40/59/574014059.db2.gz LKYBVTQVMAVQBX-MRVPVSSYSA-N 0 3 186.205 2.160 10 0 AEAEHN CCC(CC)C[C@H](N)c1ccn(C)n1 128140343 574017636 /nfs/dbraw/zinc/01/76/36/574017636.db2.gz JYHRRIUXTJEJGE-JTQLQIEISA-N 0 3 195.310 2.246 10 0 AEAEHN C[C@H]1CCC[C@@](N)(C(F)F)C1 87688047 574015221 /nfs/dbraw/zinc/01/52/21/574015221.db2.gz SCKDPMBRKLAYEI-XPUUQOCRSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@H]1CCC[C@](N)(C(F)F)C1 87688045 574015238 /nfs/dbraw/zinc/01/52/38/574015238.db2.gz SCKDPMBRKLAYEI-POYBYMJQSA-N 0 3 163.211 2.159 10 0 AEAEHN CC[C@H]1CC[C@@](N)(C(F)F)C1 87688164 574015271 /nfs/dbraw/zinc/01/52/71/574015271.db2.gz XCCCOVNZIQZZAF-XPUUQOCRSA-N 0 3 163.211 2.159 10 0 AEAEHN C=Cc1cccc([C@@H](C)NC)n1 209789470 574015320 /nfs/dbraw/zinc/01/53/20/574015320.db2.gz YGWKHONKYAOXCJ-MRVPVSSYSA-N 0 3 162.236 2.005 10 0 AEAEHN C[C@@](N)(C(F)F)C1CCCC1 87688373 574015372 /nfs/dbraw/zinc/01/53/72/574015372.db2.gz QYFCTVPELVVYHZ-QMMMGPOBSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@@H]1CCC[C@](N)(C(F)F)[C@@H]1C 87688272 574015396 /nfs/dbraw/zinc/01/53/96/574015396.db2.gz CSWRSZQDBQWYGO-ZXFLCMHBSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H]1C[C@@H](C)CC(N)(C(F)F)C1 87687974 574015429 /nfs/dbraw/zinc/01/54/29/574015429.db2.gz PWTZXAMVHOYFKJ-RNFRBKRXSA-N 0 3 177.238 2.405 10 0 AEAEHN CCC[C@H](C)[C@H](N)c1nccn1CC 128058921 574015447 /nfs/dbraw/zinc/01/54/47/574015447.db2.gz QIKYPRDZPVXYHP-UWVGGRQHSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@H]1C[C@](N)(C(F)F)CC[C@H]1C 87688308 574015494 /nfs/dbraw/zinc/01/54/94/574015494.db2.gz OGFRATFKEVOKFT-FJXKBIBVSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1CCCC[C@]1(N)C(F)F 87688319 574016202 /nfs/dbraw/zinc/01/62/02/574016202.db2.gz SKTYUEANDYHTDQ-POYBYMJQSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@H](N)c1ncccc1C(F)(F)F 104501528 574015596 /nfs/dbraw/zinc/01/55/96/574015596.db2.gz HFANFFHVMQXJOE-YFKPBYRVSA-N 0 3 190.168 2.120 10 0 AEAEHN CC[C@@H](C)[C@](C)(N)C(F)F 87688198 574015610 /nfs/dbraw/zinc/01/56/10/574015610.db2.gz YWDMMBLGITXXJV-VDTYLAMSSA-N 0 3 151.200 2.015 10 0 AEAEHN CCCCC[C@H](N)c1nccn1CC 128074681 574015686 /nfs/dbraw/zinc/01/56/86/574015686.db2.gz MSXDJQWROOXXKL-JTQLQIEISA-N 0 3 195.310 2.483 10 0 AEAEHN C[C@@H]1CCC[C@@](N)(C(F)F)C1 87688046 574015708 /nfs/dbraw/zinc/01/57/08/574015708.db2.gz SCKDPMBRKLAYEI-SVRRBLITSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@H]1CCCC[C@@]1(N)C(F)F 87688321 574015730 /nfs/dbraw/zinc/01/57/30/574015730.db2.gz SKTYUEANDYHTDQ-XPUUQOCRSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@@H]1CCCC[C@]1(N)C(F)F 87688318 574015785 /nfs/dbraw/zinc/01/57/85/574015785.db2.gz SKTYUEANDYHTDQ-HTRCEHHLSA-N 0 3 163.211 2.159 10 0 AEAEHN CCC[C@H](C)[C@@H](N)c1nccn1CC 128059330 574015788 /nfs/dbraw/zinc/01/57/88/574015788.db2.gz QIKYPRDZPVXYHP-VHSXEESVSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@@H]1CCC[C@](N)(C(F)F)C1 87688044 574015895 /nfs/dbraw/zinc/01/58/95/574015895.db2.gz SCKDPMBRKLAYEI-HTRCEHHLSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@@H](N)c1cnccc1C(F)(F)F 104502530 574015960 /nfs/dbraw/zinc/01/59/60/574015960.db2.gz JJHWPZSSWOCMTL-RXMQYKEDSA-N 0 3 190.168 2.120 10 0 AEAEHN CCCCC[C@@H](N)c1nccn1CC 128074896 574015998 /nfs/dbraw/zinc/01/59/98/574015998.db2.gz MSXDJQWROOXXKL-SNVBAGLBSA-N 0 3 195.310 2.483 10 0 AEAEHN C[C@@H](N)c1ncccc1C(F)(F)F 104501534 574016054 /nfs/dbraw/zinc/01/60/54/574016054.db2.gz HFANFFHVMQXJOE-RXMQYKEDSA-N 0 3 190.168 2.120 10 0 AEAEHN CC[C@H](N)c1cc(Cl)cnc1F 104503541 574016109 /nfs/dbraw/zinc/01/61/09/574016109.db2.gz RGQKAFSBRKIJNB-ZETCQYMHSA-N 0 3 188.633 2.284 10 0 AEAEHN CC[C@H]1CC[C@](N)(C(F)F)C1 87688162 574016112 /nfs/dbraw/zinc/01/61/12/574016112.db2.gz XCCCOVNZIQZZAF-POYBYMJQSA-N 0 3 163.211 2.159 10 0 AEAEHN CCC[C@@H](C)[C@@H](N)c1nccn1CC 128059134 574016113 /nfs/dbraw/zinc/01/61/13/574016113.db2.gz QIKYPRDZPVXYHP-NXEZZACHSA-N 0 3 195.310 2.339 10 0 AEAEHN Cc1ccc2c(c1Cl)OCC[C@H]2N 104502886 574017660 /nfs/dbraw/zinc/01/76/60/574017660.db2.gz SWWIORPPNLHHCJ-MRVPVSSYSA-N 0 3 197.665 2.431 10 0 AEAEHN CCC(CC)[C@H](N)c1nccn1CC 128073782 574017142 /nfs/dbraw/zinc/01/71/42/574017142.db2.gz JXBDHUCONJAOGX-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](N)c1cc(F)cnc1Cl 104502476 574017167 /nfs/dbraw/zinc/01/71/67/574017167.db2.gz YULUONGTPOQNII-ZETCQYMHSA-N 0 3 188.633 2.284 10 0 AEAEHN CCc1cccnc1[C@H]1CCCCN1 104503709 574017054 /nfs/dbraw/zinc/01/70/54/574017054.db2.gz AGFMFBQECRCNBX-LLVKDONJSA-N 0 3 190.290 2.459 10 0 AEAEHN CCn1ccnc1[C@@H](N)[C@@H](C)C(C)C 128077278 574017079 /nfs/dbraw/zinc/01/70/79/574017079.db2.gz FMMSXQQGEOBBEJ-UWVGGRQHSA-N 0 3 195.310 2.195 10 0 AEAEHN CC[C@@H](C)C[C@H](N)c1nccn1CC 128065038 574017186 /nfs/dbraw/zinc/01/71/86/574017186.db2.gz QBCGDTPYKQWKDH-ZJUUUORDSA-N 0 3 195.310 2.339 10 0 AEAEHN CCn1ccnc1[C@H](N)[C@H](C)C(C)C 128077557 574017235 /nfs/dbraw/zinc/01/72/35/574017235.db2.gz FMMSXQQGEOBBEJ-NXEZZACHSA-N 0 3 195.310 2.195 10 0 AEAEHN CN[C@@H](c1ccoc1)[C@@H]1CCCS1 87712375 574021206 /nfs/dbraw/zinc/02/12/06/574021206.db2.gz QUIMBIFVSYOBOF-UWVGGRQHSA-N 0 3 197.303 2.436 10 0 AEAEHN COc1c(F)cc(F)cc1[C@@H]1CCN1 104500972 574017283 /nfs/dbraw/zinc/01/72/83/574017283.db2.gz QIKPTFKCDSCVEW-VIFPVBQESA-N 0 3 199.200 2.008 10 0 AEAEHN COc1c(F)cc(F)cc1[C@H]1CCN1 104500978 574017298 /nfs/dbraw/zinc/01/72/98/574017298.db2.gz QIKPTFKCDSCVEW-SECBINFHSA-N 0 3 199.200 2.008 10 0 AEAEHN CC[C@@H](N)c1cc(F)cnc1Cl 104502480 574017384 /nfs/dbraw/zinc/01/73/84/574017384.db2.gz YULUONGTPOQNII-SSDOTTSWSA-N 0 3 188.633 2.284 10 0 AEAEHN CC[C@@H](N)c1cc(Cl)cnc1F 104503545 574017623 /nfs/dbraw/zinc/01/76/23/574017623.db2.gz RGQKAFSBRKIJNB-SSDOTTSWSA-N 0 3 188.633 2.284 10 0 AEAEHN CN[C@@H](c1ccoc1)[C@H]1CCCS1 87712377 574021261 /nfs/dbraw/zinc/02/12/61/574021261.db2.gz QUIMBIFVSYOBOF-ZJUUUORDSA-N 0 3 197.303 2.436 10 0 AEAEHN N[C@@H](CC1CC1)c1c(F)cncc1F 104504774 574019233 /nfs/dbraw/zinc/01/92/33/574019233.db2.gz SYVJRBWNFJCJJA-VIFPVBQESA-N 0 3 198.216 2.160 10 0 AEAEHN CCC[C@@H](C)[C@@H](NC)c1cnccn1 128085943 574019567 /nfs/dbraw/zinc/01/95/67/574019567.db2.gz CRWMLERLPCCIGP-MWLCHTKSSA-N 0 3 193.294 2.173 10 0 AEAEHN CCC(CC)C[C@@H](N)c1ccn(C)n1 128140524 574019347 /nfs/dbraw/zinc/01/93/47/574019347.db2.gz JYHRRIUXTJEJGE-SNVBAGLBSA-N 0 3 195.310 2.246 10 0 AEAEHN CN[C@@H](c1ccco1)[C@@H]1CCCS1 87712059 574021224 /nfs/dbraw/zinc/02/12/24/574021224.db2.gz UVXMYVATHVSMRF-UWVGGRQHSA-N 0 3 197.303 2.436 10 0 AEAEHN CN[C@H](c1ccco1)[C@@H]1CCCS1 87712060 574021014 /nfs/dbraw/zinc/02/10/14/574021014.db2.gz UVXMYVATHVSMRF-VHSXEESVSA-N 0 3 197.303 2.436 10 0 AEAEHN N[C@H](c1ccoc1)[C@@H]1CCCS1 87711637 574021063 /nfs/dbraw/zinc/02/10/63/574021063.db2.gz JRLVCGOTFNXWPM-DTWKUNHWSA-N 0 3 183.276 2.175 10 0 AEAEHN N[C@@H](c1ccoc1)[C@H]1CCCS1 87711638 574021312 /nfs/dbraw/zinc/02/13/12/574021312.db2.gz JRLVCGOTFNXWPM-BDAKNGLRSA-N 0 3 183.276 2.175 10 0 AEAEHN Nc1cccc(N[C@H]2CC=CCC2)n1 87726633 574022173 /nfs/dbraw/zinc/02/21/73/574022173.db2.gz SVYWFLKPWLSUSB-VIFPVBQESA-N 0 3 189.262 2.184 10 0 AEAEHN CC(C)(C)CNc1cccc(N)n1 87726042 574023450 /nfs/dbraw/zinc/02/34/50/574023450.db2.gz UQCGVQIWBSLEJM-UHFFFAOYSA-N 0 3 179.267 2.122 10 0 AEAEHN Nc1cccc(NCC2CCCC2)n1 87725877 574023036 /nfs/dbraw/zinc/02/30/36/574023036.db2.gz KWFHTKGQWFWCPN-UHFFFAOYSA-N 0 3 191.278 2.266 10 0 AEAEHN CC(C)[C@H](C)CNc1cccc(N)n1 87726560 574023272 /nfs/dbraw/zinc/02/32/72/574023272.db2.gz GXHDHCUPGHGYSO-SECBINFHSA-N 0 3 193.294 2.368 10 0 AEAEHN CN[C@H](O)c1csc2ccccc12 259278916 574023335 /nfs/dbraw/zinc/02/33/35/574023335.db2.gz IFCJIEZIPKWJKM-SNVBAGLBSA-N 0 3 193.271 2.112 10 0 AEAEHN CCC(C)(C)Nc1cccc(N)n1 87726739 574023363 /nfs/dbraw/zinc/02/33/63/574023363.db2.gz OWELYYHGEIMAID-UHFFFAOYSA-N 0 3 179.267 2.264 10 0 AEAEHN CCSc1ncc(CNC)cc1C 87719869 574023412 /nfs/dbraw/zinc/02/34/12/574023412.db2.gz RFTKAHYWCCUDTM-UHFFFAOYSA-N 0 3 196.319 2.221 10 0 AEAEHN Nc1cccc(NC2CCCC2)n1 87725745 574023434 /nfs/dbraw/zinc/02/34/34/574023434.db2.gz REGOOMNKAQTJJE-UHFFFAOYSA-N 0 3 177.251 2.018 10 0 AEAEHN C[C@@H](N)c1ccc(N2CCCCC2)o1 104517701 574024812 /nfs/dbraw/zinc/02/48/12/574024812.db2.gz KBMSWBGLBHEKIR-SECBINFHSA-N 0 3 194.278 2.290 10 0 AEAEHN CN(CC(C)(C)C)c1cccc(N)n1 87727278 574024182 /nfs/dbraw/zinc/02/41/82/574024182.db2.gz GHQNLDCUCXPKAH-UHFFFAOYSA-N 0 3 193.294 2.146 10 0 AEAEHN C[C@@H]1CC[C@H](N[C@H](C)c2cc[nH]n2)C1 223749053 574024210 /nfs/dbraw/zinc/02/42/10/574024210.db2.gz JZNNSUUBEUKKAV-BBBLOLIVSA-N 0 3 193.294 2.249 10 0 AEAEHN CN(c1cccc(N)n1)C1CCCC1 87726949 574024239 /nfs/dbraw/zinc/02/42/39/574024239.db2.gz HAZSDQCAUMYJOI-UHFFFAOYSA-N 0 3 191.278 2.043 10 0 AEAEHN CC(C)[C@H](C)N(C)c1cccc(N)n1 87727017 574024248 /nfs/dbraw/zinc/02/42/48/574024248.db2.gz MRUFOMOZZTXNEH-VIFPVBQESA-N 0 3 193.294 2.145 10 0 AEAEHN C[C@@H](CC1CC1)Nc1cccc(N)n1 87726381 574024260 /nfs/dbraw/zinc/02/42/60/574024260.db2.gz ISUXEWJBONYDOY-QMMMGPOBSA-N 0 3 191.278 2.264 10 0 AEAEHN CC[C@H](C)CNc1cccc(N)n1 87726290 574024284 /nfs/dbraw/zinc/02/42/84/574024284.db2.gz FUVDGSSUEJUHTB-QMMMGPOBSA-N 0 3 179.267 2.122 10 0 AEAEHN CC(C)[C@@H](C)Nc1cccc(N)n1 87725726 574024295 /nfs/dbraw/zinc/02/42/95/574024295.db2.gz ZNWZDQDPNUBPGZ-MRVPVSSYSA-N 0 3 179.267 2.120 10 0 AEAEHN C[C@@H]1CCC[C@H]1Nc1cccc(N)n1 87726392 574024305 /nfs/dbraw/zinc/02/43/05/574024305.db2.gz MDOMXUHYDULPTA-RKDXNWHRSA-N 0 3 191.278 2.264 10 0 AEAEHN Cc1cc(F)c([C@@H](C)N)c(F)c1F 104517754 574024464 /nfs/dbraw/zinc/02/44/64/574024464.db2.gz APXMXTJOBYUKRV-RXMQYKEDSA-N 0 3 189.180 2.432 10 0 AEAEHN CN[C@@H](O)c1csc2ccccc12 259278913 574024521 /nfs/dbraw/zinc/02/45/21/574024521.db2.gz IFCJIEZIPKWJKM-JTQLQIEISA-N 0 3 193.271 2.112 10 0 AEAEHN CC[C@@H](N)c1ccc(NC(C)=O)s1 104521690 574024634 /nfs/dbraw/zinc/02/46/34/574024634.db2.gz JVQQPPLAQNKGTB-SSDOTTSWSA-N 0 3 198.291 2.116 10 0 AEAEHN CN[C@H](C)c1cc(C)c(C)o1 104522504 574024649 /nfs/dbraw/zinc/02/46/49/574024649.db2.gz GSMZWMIXBSDCTD-SSDOTTSWSA-N 0 3 153.225 2.177 10 0 AEAEHN N[C@H]1C=CSc2sccc21 104518821 574024673 /nfs/dbraw/zinc/02/46/73/574024673.db2.gz DUGXSGLHNYLJOT-LURJTMIESA-N 0 3 169.274 2.367 10 0 AEAEHN CCCc1ccc([C@@H](C)N)o1 104519772 574024705 /nfs/dbraw/zinc/02/47/05/574024705.db2.gz XTKFYBJLKUFDIU-SSDOTTSWSA-N 0 3 153.225 2.252 10 0 AEAEHN C[C@@]1([C@H](N)c2ccoc2)CCCCO1 87762836 574024747 /nfs/dbraw/zinc/02/47/47/574024747.db2.gz CTLQJDSDTXKEOS-MNOVXSKESA-N 0 3 195.262 2.239 10 0 AEAEHN CCC[C@@H](N)c1ccc(C)cn1 104519134 574024772 /nfs/dbraw/zinc/02/47/72/574024772.db2.gz IHTQBZDEQAFHPK-SECBINFHSA-N 0 3 164.252 2.190 10 0 AEAEHN C[C@]1([C@@H](N)c2ccoc2)CCCCO1 87762838 574024805 /nfs/dbraw/zinc/02/48/05/574024805.db2.gz CTLQJDSDTXKEOS-WDEREUQCSA-N 0 3 195.262 2.239 10 0 AEAEHN Cc1cc([C@@H]2CCCCN2)cnc1F 104518592 574025671 /nfs/dbraw/zinc/02/56/71/574025671.db2.gz QFDGXEBUWKVDMT-JTQLQIEISA-N 0 3 194.253 2.344 10 0 AEAEHN CN[C@H](C)c1cc(F)cc(F)c1F 104521332 574025927 /nfs/dbraw/zinc/02/59/27/574025927.db2.gz YWDJMTJVYYTPFG-RXMQYKEDSA-N 0 3 189.180 2.384 10 0 AEAEHN C[C@@]1([C@@H](N)c2ccoc2)CCCCO1 87762839 574025951 /nfs/dbraw/zinc/02/59/51/574025951.db2.gz CTLQJDSDTXKEOS-QWRGUYRKSA-N 0 3 195.262 2.239 10 0 AEAEHN CN[C@H](C)c1ccncc1Cl 104522524 574026041 /nfs/dbraw/zinc/02/60/41/574026041.db2.gz ZQADMMBVYMCLRK-ZCFIWIBFSA-N 0 3 170.643 2.015 10 0 AEAEHN CCC[C@@H](N)c1ccc(F)c(C)n1 104519946 574026080 /nfs/dbraw/zinc/02/60/80/574026080.db2.gz RZDRDFXXQVKYIP-SECBINFHSA-N 0 3 182.242 2.329 10 0 AEAEHN Cc1cnc(F)c([C@H](N)C(C)C)c1 104518502 574026096 /nfs/dbraw/zinc/02/60/96/574026096.db2.gz UFABKNLUXYBGSA-SECBINFHSA-N 0 3 182.242 2.185 10 0 AEAEHN CN[C@H](C)c1ccc(N2CCCC2)o1 104520123 574026130 /nfs/dbraw/zinc/02/61/30/574026130.db2.gz AFURBNKBFXYKMX-SECBINFHSA-N 0 3 194.278 2.160 10 0 AEAEHN CCN[C@H](COCC)c1coc(C)c1 131816828 574026149 /nfs/dbraw/zinc/02/61/49/574026149.db2.gz CMDVBSDKHVFVNT-LLVKDONJSA-N 0 3 197.278 2.275 10 0 AEAEHN Cc1cnc(F)c([C@@H]2CCCCN2)c1 104518602 574026198 /nfs/dbraw/zinc/02/61/98/574026198.db2.gz ZFAKRWQBXWTMGF-JTQLQIEISA-N 0 3 194.253 2.344 10 0 AEAEHN CCC[C@@H](N)c1cc(C)cnc1F 104523603 574026272 /nfs/dbraw/zinc/02/62/72/574026272.db2.gz WALYJBKVTCOKAH-SECBINFHSA-N 0 3 182.242 2.329 10 0 AEAEHN C[C@]1([C@H](N)c2ccoc2)CCCCO1 87762834 574026352 /nfs/dbraw/zinc/02/63/52/574026352.db2.gz CTLQJDSDTXKEOS-GHMZBOCLSA-N 0 3 195.262 2.239 10 0 AEAEHN CCN[C@@H](COCC)c1coc(C)c1 131816640 574026361 /nfs/dbraw/zinc/02/63/61/574026361.db2.gz CMDVBSDKHVFVNT-NSHDSACASA-N 0 3 197.278 2.275 10 0 AEAEHN Cc1ccsc1-c1c[nH]c(N)n1 85279390 574026787 /nfs/dbraw/zinc/02/67/87/574026787.db2.gz CUYXWQHOKBOOKX-UHFFFAOYSA-N 0 3 179.248 2.029 10 0 AEAEHN Cc1ccc(-c2c[nH]c(N)n2)s1 85279349 574027256 /nfs/dbraw/zinc/02/72/56/574027256.db2.gz IWGMWRNMRILIND-UHFFFAOYSA-N 0 3 179.248 2.029 10 0 AEAEHN NCc1cc(-c2cccs2)c[nH]1 259281837 574028876 /nfs/dbraw/zinc/02/88/76/574028876.db2.gz SZUSDWRNTOZDDS-UHFFFAOYSA-N 0 3 178.260 2.202 10 0 AEAEHN CCC(CC)C[C@@H](N)c1ccncn1 128106464 574028533 /nfs/dbraw/zinc/02/85/33/574028533.db2.gz AJIUVIVYWXCIJG-SNVBAGLBSA-N 0 3 193.294 2.303 10 0 AEAEHN CC(C)C[C@H]1NC[C@@H](C)S1 85302232 574028865 /nfs/dbraw/zinc/02/88/65/574028865.db2.gz RTRLGIWUCTXYLE-SFYZADRCSA-N 0 3 159.298 2.084 10 0 AEAEHN CCCC[C@@H]1NC[C@@H](C)S1 85301602 574030239 /nfs/dbraw/zinc/03/02/39/574030239.db2.gz GHOMHWCHQWWARH-HTQZYQBOSA-N 0 3 159.298 2.228 10 0 AEAEHN CC1(C)CC[C@@](N)(C(F)F)C1 87773597 574030005 /nfs/dbraw/zinc/03/00/05/574030005.db2.gz IHCYWAIZRODBBS-QMMMGPOBSA-N 0 3 163.211 2.159 10 0 AEAEHN CC(C)C[C@H]1NC[C@H](C)S1 85302235 574029971 /nfs/dbraw/zinc/02/99/71/574029971.db2.gz RTRLGIWUCTXYLE-YUMQZZPRSA-N 0 3 159.298 2.084 10 0 AEAEHN CC[C@@H]1CNC[C@]2(CCC(C)(C)C2)O1 87773781 574030075 /nfs/dbraw/zinc/03/00/75/574030075.db2.gz OEHGUSNVEQVAPY-ZYHUDNBSSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CN[C@@H](c2ccccc2)CS1 85302823 574030189 /nfs/dbraw/zinc/03/01/89/574030189.db2.gz RFTJZFXFXGFJER-MWLCHTKSSA-N 0 3 193.315 2.453 10 0 AEAEHN CCCC[C@H]1NC[C@@H](C)S1 85301604 574030268 /nfs/dbraw/zinc/03/02/68/574030268.db2.gz GHOMHWCHQWWARH-SFYZADRCSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@@H]1CN[C@H](c2ccccc2)CS1 85302815 574030369 /nfs/dbraw/zinc/03/03/69/574030369.db2.gz RFTJZFXFXGFJER-KOLCDFICSA-N 0 3 193.315 2.453 10 0 AEAEHN CCCC[C@@H]1NC[C@H](C)S1 85301596 574030396 /nfs/dbraw/zinc/03/03/96/574030396.db2.gz GHOMHWCHQWWARH-JGVFFNPUSA-N 0 3 159.298 2.228 10 0 AEAEHN CN[C@@H](c1cnccn1)[C@H](C)C(C)C 128111724 574030628 /nfs/dbraw/zinc/03/06/28/574030628.db2.gz OZGUMKQBRYQXGN-MWLCHTKSSA-N 0 3 193.294 2.029 10 0 AEAEHN C[C@H]1CN[C@@H](c2ccccc2)CS1 85302824 574030668 /nfs/dbraw/zinc/03/06/68/574030668.db2.gz RFTJZFXFXGFJER-GXSJLCMTSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@H]1CS[C@@H](Cc2ccccc2)N1 85310340 574030937 /nfs/dbraw/zinc/03/09/37/574030937.db2.gz NANDQWLWYBDCRM-ONGXEEELSA-N 0 3 193.315 2.280 10 0 AEAEHN C[C@H]1CS[C@H](CC(C)(C)C)N1 85309564 574031059 /nfs/dbraw/zinc/03/10/59/574031059.db2.gz YRULXJQGDSCRDF-JGVFFNPUSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)C[C@H]1N[C@@H](C)CS1 85310190 574031069 /nfs/dbraw/zinc/03/10/69/574031069.db2.gz PDRANCLHCBCWRG-YUMQZZPRSA-N 0 3 159.298 2.084 10 0 AEAEHN C[C@@H]1CS[C@@H](Cc2ccccc2)N1 85310338 574031110 /nfs/dbraw/zinc/03/11/10/574031110.db2.gz NANDQWLWYBDCRM-KOLCDFICSA-N 0 3 193.315 2.280 10 0 AEAEHN FCCNCc1cc2c(s1)CCC2 87774868 574031436 /nfs/dbraw/zinc/03/14/36/574031436.db2.gz HENTZBUZCPDQBN-UHFFFAOYSA-N 0 3 199.294 2.296 10 0 AEAEHN CCC[C@H]1N[C@H](C)CCS1 85318545 574035139 /nfs/dbraw/zinc/03/51/39/574035139.db2.gz QBOLGIWMEBPJDE-SFYZADRCSA-N 0 3 159.298 2.228 10 0 AEAEHN CC(C)[C@@H]1N[C@@H](C)CCS1 85318485 574035153 /nfs/dbraw/zinc/03/51/53/574035153.db2.gz UDLUMDAMSKVQPV-JGVFFNPUSA-N 0 3 159.298 2.084 10 0 AEAEHN CSCC[C@H]1N[C@@H](C)CCS1 85318711 574035168 /nfs/dbraw/zinc/03/51/68/574035168.db2.gz WSHAULYJOIUUAW-YUMQZZPRSA-N 0 3 191.365 2.181 10 0 AEAEHN CN[C@H](O)c1c(C)c(C)cc(C)c1C 259289277 574035213 /nfs/dbraw/zinc/03/52/13/574035213.db2.gz IQRCJSMMDKBVEZ-GFCCVEGCSA-N 0 3 193.290 2.131 10 0 AEAEHN CC(C)[C@H]1N[C@H](C)CCS1 85318486 574035228 /nfs/dbraw/zinc/03/52/28/574035228.db2.gz UDLUMDAMSKVQPV-SFYZADRCSA-N 0 3 159.298 2.084 10 0 AEAEHN CC(C)C[C@@H]1N[C@@H](C)CCS1 85318465 574034910 /nfs/dbraw/zinc/03/49/10/574034910.db2.gz CMTXPEHDQCUKFW-DTWKUNHWSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H](C)[C@@H]1N[C@H](C)CCS1 85318813 574034994 /nfs/dbraw/zinc/03/49/94/574034994.db2.gz UEIUPWHMYAIGAB-DJLDLDEBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)C[C@H]1N[C@H](C)CCS1 85318466 574035032 /nfs/dbraw/zinc/03/50/32/574035032.db2.gz CMTXPEHDQCUKFW-BDAKNGLRSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC(CC)C[C@H](N)c1ncc[nH]1 128210243 574035287 /nfs/dbraw/zinc/03/52/87/574035287.db2.gz JZQYZWPAYXYYTM-VIFPVBQESA-N 0 3 181.283 2.236 10 0 AEAEHN CC(C)[C@H]1N[C@@H](C)CCS1 85318487 574035290 /nfs/dbraw/zinc/03/52/90/574035290.db2.gz UDLUMDAMSKVQPV-YUMQZZPRSA-N 0 3 159.298 2.084 10 0 AEAEHN CN[C@@H](O)c1c(C)c(C)cc(C)c1C 259289279 574035458 /nfs/dbraw/zinc/03/54/58/574035458.db2.gz IQRCJSMMDKBVEZ-LBPRGKRZSA-N 0 3 193.290 2.131 10 0 AEAEHN C[C@@H]1CCS[C@@H](C(C)(C)C)N1 85318646 574035462 /nfs/dbraw/zinc/03/54/62/574035462.db2.gz LEQHEXNZAADWHJ-SFYZADRCSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC(CC)C[C@@H](N)c1ncc[nH]1 128210493 574035537 /nfs/dbraw/zinc/03/55/37/574035537.db2.gz JZQYZWPAYXYYTM-SECBINFHSA-N 0 3 181.283 2.236 10 0 AEAEHN CC(C)[C@H](CO)[C@@H](N)c1cccs1 259289414 574035736 /nfs/dbraw/zinc/03/57/36/574035736.db2.gz HREACVRTGASZKL-WCBMZHEXSA-N 0 3 199.319 2.012 10 0 AEAEHN CSCC[C@@H]1N[C@@H](C)CCS1 85318709 574035772 /nfs/dbraw/zinc/03/57/72/574035772.db2.gz WSHAULYJOIUUAW-JGVFFNPUSA-N 0 3 191.365 2.181 10 0 AEAEHN CC(C)[C@@H](CO)[C@@H](N)c1cccs1 259289407 574035945 /nfs/dbraw/zinc/03/59/45/574035945.db2.gz HREACVRTGASZKL-PSASIEDQSA-N 0 3 199.319 2.012 10 0 AEAEHN CC[C@H](C)[C@H]1N[C@H](C)CCS1 85318815 574035965 /nfs/dbraw/zinc/03/59/65/574035965.db2.gz UEIUPWHMYAIGAB-YIZRAAEISA-N 0 3 173.325 2.474 10 0 AEAEHN CCC[C@@H]1N[C@H](C)CCS1 85318544 574036186 /nfs/dbraw/zinc/03/61/86/574036186.db2.gz QBOLGIWMEBPJDE-HTQZYQBOSA-N 0 3 159.298 2.228 10 0 AEAEHN CCC[C@H]1NC[C@H](C)CS1 85338019 574037953 /nfs/dbraw/zinc/03/79/53/574037953.db2.gz XQMFDVZNKMZNEE-YUMQZZPRSA-N 0 3 159.298 2.085 10 0 AEAEHN CCC[C@@H]1NC[C@@H](C)CS1 85338022 574037289 /nfs/dbraw/zinc/03/72/89/574037289.db2.gz XQMFDVZNKMZNEE-HTQZYQBOSA-N 0 3 159.298 2.085 10 0 AEAEHN CSCC[C@H]1NC[C@@H](C)CS1 85337505 574037304 /nfs/dbraw/zinc/03/73/04/574037304.db2.gz XNDNTCNDKRMVGU-SFYZADRCSA-N 0 3 191.365 2.038 10 0 AEAEHN CC[C@H](C)[C@@H]1NC[C@H](C)CS1 85338362 574037335 /nfs/dbraw/zinc/03/73/35/574037335.db2.gz IIPBTFWQTSHJDF-XHNCKOQMSA-N 0 3 173.325 2.331 10 0 AEAEHN CCNc1cccc(N(C)C(C)C)n1 87806132 574037350 /nfs/dbraw/zinc/03/73/50/574037350.db2.gz MTNNYVQCJSPPLO-UHFFFAOYSA-N 0 3 193.294 2.358 10 0 AEAEHN CCC[C@H]1NCC[C@@H](C)S1 85342070 574037357 /nfs/dbraw/zinc/03/73/57/574037357.db2.gz FEIZIYVYNOVZEG-SFYZADRCSA-N 0 3 159.298 2.228 10 0 AEAEHN CCCNc1cc(NCC)nc(C)n1 87806641 574037471 /nfs/dbraw/zinc/03/74/71/574037471.db2.gz IGXBSHONUZUYTN-UHFFFAOYSA-N 0 3 194.282 2.039 10 0 AEAEHN C[C@@H]1CN[C@H](c2ccco2)CSC1 85339391 574037507 /nfs/dbraw/zinc/03/75/07/574037507.db2.gz YKDPUSZQBJGFPJ-BDAKNGLRSA-N 0 3 197.303 2.293 10 0 AEAEHN CC[C@H](C)Nc1cccc(NC)n1 87806978 574037578 /nfs/dbraw/zinc/03/75/78/574037578.db2.gz QUSAXSSTCYBCKY-QMMMGPOBSA-N 0 3 179.267 2.334 10 0 AEAEHN C[C@@H]1CN[C@@H](C2CCCC2)SC1 85337328 574037618 /nfs/dbraw/zinc/03/76/18/574037618.db2.gz MNEOFXJGLSTDIO-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@H](C(C)(C)C)SC1 85337286 574037702 /nfs/dbraw/zinc/03/77/02/574037702.db2.gz QCAPDDLCLYNKMW-SFYZADRCSA-N 0 3 173.325 2.331 10 0 AEAEHN CCNc1cccc(NC(C)C)n1 87806727 574037725 /nfs/dbraw/zinc/03/77/25/574037725.db2.gz DATGHXYPBDUQAA-UHFFFAOYSA-N 0 3 179.267 2.334 10 0 AEAEHN CC[C@H](C)[C@H]1NC[C@H](C)CS1 85338370 574037868 /nfs/dbraw/zinc/03/78/68/574037868.db2.gz IIPBTFWQTSHJDF-CIUDSAMLSA-N 0 3 173.325 2.331 10 0 AEAEHN CCCC[C@@H]1NC[C@H](C)CS1 85337359 574037910 /nfs/dbraw/zinc/03/79/10/574037910.db2.gz CSQDMUTZOUFZOQ-DTWKUNHWSA-N 0 3 173.325 2.475 10 0 AEAEHN CCCNc1cccc(NCC)n1 87806642 574037934 /nfs/dbraw/zinc/03/79/34/574037934.db2.gz WWFPUBWWBYUDPR-UHFFFAOYSA-N 0 3 179.267 2.335 10 0 AEAEHN CCC(CC)C[C@@H](NC)c1ncc[nH]1 128211449 574037941 /nfs/dbraw/zinc/03/79/41/574037941.db2.gz KGJGSNQJIWTWIR-SNVBAGLBSA-N 0 3 195.310 2.497 10 0 AEAEHN CC(C)[C@H]1NCC[C@@H](C)S1 85341949 574037995 /nfs/dbraw/zinc/03/79/95/574037995.db2.gz JBVVCMFESMIXDA-SFYZADRCSA-N 0 3 159.298 2.084 10 0 AEAEHN CC(C)[C@H]1NCC[C@H](C)S1 85341952 574038072 /nfs/dbraw/zinc/03/80/72/574038072.db2.gz JBVVCMFESMIXDA-YUMQZZPRSA-N 0 3 159.298 2.084 10 0 AEAEHN CNc1cc(NC(C)(C)C)nc(C)n1 87801717 574038088 /nfs/dbraw/zinc/03/80/88/574038088.db2.gz ISLQGUFTUSXQFP-UHFFFAOYSA-N 0 3 194.282 2.037 10 0 AEAEHN CNc1cccc(NCC(C)C)n1 87807164 574038107 /nfs/dbraw/zinc/03/81/07/574038107.db2.gz YMEVREPCUFVCOY-UHFFFAOYSA-N 0 3 179.267 2.191 10 0 AEAEHN CSCC[C@H]1NC[C@H](C)CS1 85337508 574038110 /nfs/dbraw/zinc/03/81/10/574038110.db2.gz XNDNTCNDKRMVGU-YUMQZZPRSA-N 0 3 191.365 2.038 10 0 AEAEHN CCC[C@@H]1NC[C@H](C)CS1 85338016 574038113 /nfs/dbraw/zinc/03/81/13/574038113.db2.gz XQMFDVZNKMZNEE-JGVFFNPUSA-N 0 3 159.298 2.085 10 0 AEAEHN CSCC[C@@H]1NC[C@@H](C)CS1 85337511 574038151 /nfs/dbraw/zinc/03/81/51/574038151.db2.gz XNDNTCNDKRMVGU-HTQZYQBOSA-N 0 3 191.365 2.038 10 0 AEAEHN CC(C)C[C@H]1NCC[C@@H](C)S1 85341916 574038160 /nfs/dbraw/zinc/03/81/60/574038160.db2.gz FJVFMGZBBZOWRU-BDAKNGLRSA-N 0 3 173.325 2.474 10 0 AEAEHN CCNc1cccc(N2CCCC2)n1 87805712 574038209 /nfs/dbraw/zinc/03/82/09/574038209.db2.gz JHBCMYKFCMYXRI-UHFFFAOYSA-N 0 3 191.278 2.114 10 0 AEAEHN CCNc1cccc(NCC2CC2)n1 87807568 574040054 /nfs/dbraw/zinc/04/00/54/574040054.db2.gz DENUKXOQBQSSDC-UHFFFAOYSA-N 0 3 191.278 2.335 10 0 AEAEHN C[C@H]1CCN[C@H](c2ccco2)CS1 85343645 574040387 /nfs/dbraw/zinc/04/03/87/574040387.db2.gz AHOHIUCCUQQZAU-IUCAKERBSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@@H]1CCN[C@H](c2ccco2)CS1 85343643 574040449 /nfs/dbraw/zinc/04/04/49/574040449.db2.gz AHOHIUCCUQQZAU-BDAKNGLRSA-N 0 3 197.303 2.436 10 0 AEAEHN CNc1cccc(N(C)CC(C)C)n1 87809282 574040608 /nfs/dbraw/zinc/04/06/08/574040608.db2.gz JWGKCFWGZSUIPC-UHFFFAOYSA-N 0 3 193.294 2.216 10 0 AEAEHN CC[C@H]1CS[C@@H](CCSC)N1 85347318 574040935 /nfs/dbraw/zinc/04/09/35/574040935.db2.gz XMFJKPQRWQQWOG-YUMQZZPRSA-N 0 3 191.365 2.181 10 0 AEAEHN C[C@@H]1CCN[C@@H](c2ccco2)CS1 85343647 574041003 /nfs/dbraw/zinc/04/10/03/574041003.db2.gz AHOHIUCCUQQZAU-RKDXNWHRSA-N 0 3 197.303 2.436 10 0 AEAEHN CC[C@@H]1CS[C@@H](CCSC)N1 85347317 574041103 /nfs/dbraw/zinc/04/11/03/574041103.db2.gz XMFJKPQRWQQWOG-SFYZADRCSA-N 0 3 191.365 2.181 10 0 AEAEHN CCC(CC)C[C@@H](N)c1nccn1C 128236458 574042259 /nfs/dbraw/zinc/04/22/59/574042259.db2.gz RVGYOJFAJVNURT-SNVBAGLBSA-N 0 3 195.310 2.246 10 0 AEAEHN C[C@H]1CCN[C@@H](c2ccco2)CS1 85343649 574042278 /nfs/dbraw/zinc/04/22/78/574042278.db2.gz AHOHIUCCUQQZAU-DTWKUNHWSA-N 0 3 197.303 2.436 10 0 AEAEHN c1ccc2c(c1)C[C@@H]2NCc1cc[nH]c1 308831064 574042555 /nfs/dbraw/zinc/04/25/55/574042555.db2.gz AMFUWOOZISAQKA-ZDUSSCGKSA-N 0 3 198.269 2.402 10 0 AEAEHN CCC(CC)C[C@H](N)c1cncn1C 128249783 574042855 /nfs/dbraw/zinc/04/28/55/574042855.db2.gz DCPOMIGZPIVLPJ-JTQLQIEISA-N 0 3 195.310 2.246 10 0 AEAEHN CCC(CC)C[C@@H](N)c1cncn1C 128250033 574043089 /nfs/dbraw/zinc/04/30/89/574043089.db2.gz DCPOMIGZPIVLPJ-SNVBAGLBSA-N 0 3 195.310 2.246 10 0 AEAEHN CNc1cccc(N[C@@H]2CC2(C)C)n1 87825791 574043118 /nfs/dbraw/zinc/04/31/18/574043118.db2.gz JJRFKEPDTIANHY-MRVPVSSYSA-N 0 3 191.278 2.334 10 0 AEAEHN CNc1cccc(NCCC2CC2)n1 87837046 574045341 /nfs/dbraw/zinc/04/53/41/574045341.db2.gz SFYUHKLEJBPZKS-UHFFFAOYSA-N 0 3 191.278 2.335 10 0 AEAEHN CCOC[C@@H](N)c1cc(C)c(C)s1 131836026 574047087 /nfs/dbraw/zinc/04/70/87/574047087.db2.gz XAOQJPQAKOWFFE-SECBINFHSA-N 0 3 199.319 2.401 10 0 AEAEHN CSC1C(=O)Nc2c(F)cccc21 113155635 574045866 /nfs/dbraw/zinc/04/58/66/574045866.db2.gz LOKRAUWGFLVFID-QMMMGPOBSA-N 0 3 197.234 2.182 10 0 AEAEHN CSC1C(=O)Nc2c(F)cccc21 113155637 574046002 /nfs/dbraw/zinc/04/60/02/574046002.db2.gz LOKRAUWGFLVFID-MRVPVSSYSA-N 0 3 197.234 2.182 10 0 AEAEHN CCOC[C@H](N)c1ccccc1CC 131834744 574047320 /nfs/dbraw/zinc/04/73/20/574047320.db2.gz WOHIISXNXOEHNB-LBPRGKRZSA-N 0 3 193.290 2.285 10 0 AEAEHN CCCNCc1ccoc1C 36947873 486717801 /nfs/dbraw/zinc/71/78/01/486717801.db2.gz DUOBMOXYSZDCPC-UHFFFAOYSA-N 0 3 153.225 2.088 10 0 AEAEHN C[C@@H]1CN(Cc2cocn2)[C@H](C)[C@@H]1C 669575989 486726441 /nfs/dbraw/zinc/72/64/41/486726441.db2.gz MFOQZTPJJSVZBN-OPRDCNLKSA-N 0 3 194.278 2.151 10 0 AEAEHN C[C@@H]1CN(Cc2cocn2)[C@H](C)[C@H]1C 669575988 486726550 /nfs/dbraw/zinc/72/65/50/486726550.db2.gz MFOQZTPJJSVZBN-KXUCPTDWSA-N 0 3 194.278 2.151 10 0 AEAEHN C[C@@H]1CN(Cc2cocn2)[C@@H](C)[C@@H]1C 669575987 486726909 /nfs/dbraw/zinc/72/69/09/486726909.db2.gz MFOQZTPJJSVZBN-BBBLOLIVSA-N 0 3 194.278 2.151 10 0 AEAEHN C[C@@H]1CN(Cc2cocn2)[C@@H](C)[C@H]1C 669575990 486726990 /nfs/dbraw/zinc/72/69/90/486726990.db2.gz MFOQZTPJJSVZBN-UTLUCORTSA-N 0 3 194.278 2.151 10 0 AEAEHN Cc1cc(CNCCC(C)C)on1 44299022 486728086 /nfs/dbraw/zinc/72/80/86/486728086.db2.gz NGRJIQPMTAQCSH-UHFFFAOYSA-N 0 3 182.267 2.119 10 0 AEAEHN CC[C@H](C)N1C[C@H](C)O[C@H](C2CC2)C1 669693841 486732476 /nfs/dbraw/zinc/73/24/76/486732476.db2.gz ZAYUNWQLXIZKOZ-NHCYSSNCSA-N 0 3 197.322 2.284 10 0 AEAEHN CC[C@H](C)N1C[C@H](C2CC2)O[C@H](C)C1 669693839 486732548 /nfs/dbraw/zinc/73/25/48/486732548.db2.gz ZAYUNWQLXIZKOZ-HOSYDEDBSA-N 0 3 197.322 2.284 10 0 AEAEHN CC[C@H](C)N1C[C@H](C)O[C@@H](C2CC2)C1 669693840 486732565 /nfs/dbraw/zinc/73/25/65/486732565.db2.gz ZAYUNWQLXIZKOZ-JBLDHEPKSA-N 0 3 197.322 2.284 10 0 AEAEHN CC[C@H](C)N1C[C@@H](C)O[C@H](C2CC2)C1 669693842 486733152 /nfs/dbraw/zinc/73/31/52/486733152.db2.gz ZAYUNWQLXIZKOZ-UMNHJUIQSA-N 0 3 197.322 2.284 10 0 AEAEHN CCn1ccnc1NCC(C)(C)C 50614129 486739377 /nfs/dbraw/zinc/73/93/77/486739377.db2.gz NIXXNFVCVVHMIN-UHFFFAOYSA-N 0 3 181.283 2.361 10 0 AEAEHN CCC[C@H](C)CN1CCOCC12CC2 670273175 486739500 /nfs/dbraw/zinc/73/95/00/486739500.db2.gz LOSKMKJMQQNAGE-NSHDSACASA-N 0 3 197.322 2.287 10 0 AEAEHN CC(C)Cn1ccnc1CNC(C)C 51014765 486739432 /nfs/dbraw/zinc/73/94/32/486739432.db2.gz FKGNAAXAKZNUHD-UHFFFAOYSA-N 0 3 195.310 2.037 10 0 AEAEHN CCC[C@@H](C)CN1CCOCC12CC2 670273174 486739698 /nfs/dbraw/zinc/73/96/98/486739698.db2.gz LOSKMKJMQQNAGE-LLVKDONJSA-N 0 3 197.322 2.287 10 0 AEAEHN Cc1cccc(CN[C@@H](C)C2CC2)n1 51574123 486740230 /nfs/dbraw/zinc/74/02/30/486740230.db2.gz WNUNWAPPZZIRTE-JTQLQIEISA-N 0 3 190.290 2.278 10 0 AEAEHN Cc1cccc(CN[C@H](C)C2CC2)n1 51574125 486740531 /nfs/dbraw/zinc/74/05/31/486740531.db2.gz WNUNWAPPZZIRTE-SNVBAGLBSA-N 0 3 190.290 2.278 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1cccnc1 52270786 486743778 /nfs/dbraw/zinc/74/37/78/486743778.db2.gz LQIOKHYCLOGQNB-ATZCPNFKSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccco1 52271019 486743844 /nfs/dbraw/zinc/74/38/44/486743844.db2.gz YECYCHWQLIZQGZ-CIUDSAMLSA-N 0 3 165.236 2.339 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1cccc(O)c1 52271282 486743907 /nfs/dbraw/zinc/74/39/07/486743907.db2.gz XUTMFPVQBGOWDY-VDDIYKPWSA-N 0 3 191.274 2.451 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1cccc(O)c1 52271280 486743916 /nfs/dbraw/zinc/74/39/16/486743916.db2.gz XUTMFPVQBGOWDY-AUTRQRHGSA-N 0 3 191.274 2.451 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1cccnc1 52270778 486743930 /nfs/dbraw/zinc/74/39/30/486743930.db2.gz LQIOKHYCLOGQNB-QXEWZRGKSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1cccnc1 52270783 486743937 /nfs/dbraw/zinc/74/39/37/486743937.db2.gz LQIOKHYCLOGQNB-WCABBAIRSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1cccc(O)c1 52271285 486743986 /nfs/dbraw/zinc/74/39/86/486743986.db2.gz XUTMFPVQBGOWDY-HOTUBEGUSA-N 0 3 191.274 2.451 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1cccc(O)c1 52271277 486744049 /nfs/dbraw/zinc/74/40/49/486744049.db2.gz XUTMFPVQBGOWDY-PTRXPTGYSA-N 0 3 191.274 2.451 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccco1 52271025 486744109 /nfs/dbraw/zinc/74/41/09/486744109.db2.gz YECYCHWQLIZQGZ-XHNCKOQMSA-N 0 3 165.236 2.339 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccco1 52271018 486744215 /nfs/dbraw/zinc/74/42/15/486744215.db2.gz YECYCHWQLIZQGZ-VGMNWLOBSA-N 0 3 165.236 2.339 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1cccnc1 52270775 486744259 /nfs/dbraw/zinc/74/42/59/486744259.db2.gz LQIOKHYCLOGQNB-YWVKMMECSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccco1 52271022 486744288 /nfs/dbraw/zinc/74/42/88/486744288.db2.gz YECYCHWQLIZQGZ-HRDYMLBCSA-N 0 3 165.236 2.339 10 0 AEAEHN CCc1ncc(CN[C@@H]2C[C@@H]2C)s1 52275031 486744689 /nfs/dbraw/zinc/74/46/89/486744689.db2.gz CXAVDNAQPLGWFO-IONNQARKSA-N 0 3 196.319 2.204 10 0 AEAEHN CCc1ccc(CN[C@H]2C[C@@H]2C)o1 52274920 486744795 /nfs/dbraw/zinc/74/47/95/486744795.db2.gz IJWKBEHBCVGHLO-KWQFWETISA-N 0 3 179.263 2.340 10 0 AEAEHN CCc1ncc(CN[C@H]2C[C@@H]2C)s1 52275033 486745173 /nfs/dbraw/zinc/74/51/73/486745173.db2.gz CXAVDNAQPLGWFO-CBAPKCEASA-N 0 3 196.319 2.204 10 0 AEAEHN CCc1ccc(CN[C@H]2C[C@H]2C)o1 52274924 486745183 /nfs/dbraw/zinc/74/51/83/486745183.db2.gz IJWKBEHBCVGHLO-KCJUWKMLSA-N 0 3 179.263 2.340 10 0 AEAEHN CCc1ccc(CN[C@@H]2C[C@H]2C)o1 52274922 486745199 /nfs/dbraw/zinc/74/51/99/486745199.db2.gz IJWKBEHBCVGHLO-LDYMZIIASA-N 0 3 179.263 2.340 10 0 AEAEHN CCc1ncc(CN[C@@H]2C[C@H]2C)s1 52275034 486745277 /nfs/dbraw/zinc/74/52/77/486745277.db2.gz CXAVDNAQPLGWFO-VXNVDRBHSA-N 0 3 196.319 2.204 10 0 AEAEHN CCc1ccc(CN[C@@H]2C[C@@H]2C)o1 52274919 486745303 /nfs/dbraw/zinc/74/53/03/486745303.db2.gz IJWKBEHBCVGHLO-GZMMTYOYSA-N 0 3 179.263 2.340 10 0 AEAEHN CCc1ncc(CN[C@H]2C[C@H]2C)s1 52275036 486745344 /nfs/dbraw/zinc/74/53/44/486745344.db2.gz CXAVDNAQPLGWFO-APPZFPTMSA-N 0 3 196.319 2.204 10 0 AEAEHN C[C@@H](CC1CC1)NCc1ccccn1 69663726 486774906 /nfs/dbraw/zinc/77/49/06/486774906.db2.gz TXIVJGWRGDWTTB-JTQLQIEISA-N 0 3 190.290 2.360 10 0 AEAEHN C[C@H](CC1CC1)NCc1ccccn1 69663729 486775035 /nfs/dbraw/zinc/77/50/35/486775035.db2.gz TXIVJGWRGDWTTB-SNVBAGLBSA-N 0 3 190.290 2.360 10 0 AEAEHN CC(C)CN(C)Cc1ccc[nH]1 673857558 486778773 /nfs/dbraw/zinc/77/87/73/486778773.db2.gz XGDLNCOVUVNAOO-UHFFFAOYSA-N 0 3 166.268 2.103 10 0 AEAEHN CC(C)[C@H](C)N[C@H](C)c1cnccn1 70024875 486781220 /nfs/dbraw/zinc/78/12/20/486781220.db2.gz BMLMBCDJHZGEFI-VHSXEESVSA-N 0 3 193.294 2.172 10 0 AEAEHN CC(C)[C@@H](C)N[C@@H](C)c1cnccn1 70024869 486781267 /nfs/dbraw/zinc/78/12/67/486781267.db2.gz BMLMBCDJHZGEFI-ZJUUUORDSA-N 0 3 193.294 2.172 10 0 AEAEHN CC(C)[C@H](C)N[C@@H](C)c1cnccn1 70024870 486781498 /nfs/dbraw/zinc/78/14/98/486781498.db2.gz BMLMBCDJHZGEFI-UWVGGRQHSA-N 0 3 193.294 2.172 10 0 AEAEHN CC(C)[C@@H](C)N[C@H](C)c1cnccn1 70024874 486781824 /nfs/dbraw/zinc/78/18/24/486781824.db2.gz BMLMBCDJHZGEFI-NXEZZACHSA-N 0 3 193.294 2.172 10 0 AEAEHN CC(C)=CCN(C)CCOCC1CC1 674872977 486820002 /nfs/dbraw/zinc/82/00/02/486820002.db2.gz HIANLAYSWGFZSC-UHFFFAOYSA-N 0 3 197.322 2.311 10 0 AEAEHN CCCN(C)Cc1c(CC)noc1C 675123615 486828358 /nfs/dbraw/zinc/82/83/58/486828358.db2.gz CIZDMGNWVCZAOW-UHFFFAOYSA-N 0 3 196.294 2.387 10 0 AEAEHN CC(=O)CN1CCCC(C)(C)CC1 83680759 486840124 /nfs/dbraw/zinc/84/01/24/486840124.db2.gz BYGGJYNEZHQSGB-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN Cc1ccc(CN(C)CC2CC2)o1 675638432 486845021 /nfs/dbraw/zinc/84/50/21/486845021.db2.gz BHUQDQOSDKXCQF-UHFFFAOYSA-N 0 3 179.263 2.430 10 0 AEAEHN CCN1CCOC2(CCCCCC2)C1 675641571 486848863 /nfs/dbraw/zinc/84/88/63/486848863.db2.gz GCSDVSAUCDUNLX-UHFFFAOYSA-N 0 3 197.322 2.432 10 0 AEAEHN C[C@@H]1OCCN([C@H]2C=CCCC2)[C@@H]1C 675896980 486851986 /nfs/dbraw/zinc/85/19/86/486851986.db2.gz AUWUAGVTTHSZBX-WOPDTQHZSA-N 0 3 195.306 2.204 10 0 AEAEHN CCN(CCCF)Cc1ccccn1 675892607 486852007 /nfs/dbraw/zinc/85/20/07/486852007.db2.gz HWQXLAFBWFTOBA-UHFFFAOYSA-N 0 3 196.269 2.263 10 0 AEAEHN C[C@@H]1OCCN([C@H]2C=CCCC2)[C@H]1C 675896979 486852297 /nfs/dbraw/zinc/85/22/97/486852297.db2.gz AUWUAGVTTHSZBX-SRVKXCTJSA-N 0 3 195.306 2.204 10 0 AEAEHN C[C@@H]1OCCN([C@@H]2C=CCCC2)[C@H]1C 675896978 486852585 /nfs/dbraw/zinc/85/25/85/486852585.db2.gz AUWUAGVTTHSZBX-SDDRHHMPSA-N 0 3 195.306 2.204 10 0 AEAEHN C[C@@H]1OCCN([C@@H]2C=CCCC2)[C@@H]1C 675896977 486852740 /nfs/dbraw/zinc/85/27/40/486852740.db2.gz AUWUAGVTTHSZBX-GRYCIOLGSA-N 0 3 195.306 2.204 10 0 AEAEHN Cc1cccc(CN(C)CCCF)n1 675965198 486853438 /nfs/dbraw/zinc/85/34/38/486853438.db2.gz BQBQHZSLEDPOGU-UHFFFAOYSA-N 0 3 196.269 2.181 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1ccncc1Cl 84084981 486853957 /nfs/dbraw/zinc/85/39/57/486853957.db2.gz VCGOQEZWHBRNIT-XCBNKYQSSA-N 0 3 196.681 2.233 10 0 AEAEHN C[C@H]1C[C@H]1NCc1ccncc1Cl 84084987 486853996 /nfs/dbraw/zinc/85/39/96/486853996.db2.gz VCGOQEZWHBRNIT-OIBJUYFYSA-N 0 3 196.681 2.233 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1ccncc1Cl 84084986 486854255 /nfs/dbraw/zinc/85/42/55/486854255.db2.gz VCGOQEZWHBRNIT-GMSGAONNSA-N 0 3 196.681 2.233 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1ccncc1Cl 84084984 486854313 /nfs/dbraw/zinc/85/43/13/486854313.db2.gz VCGOQEZWHBRNIT-XVKPBYJWSA-N 0 3 196.681 2.233 10 0 AEAEHN Cc1ccncc1CN(C)CC1CC1 676557515 486864237 /nfs/dbraw/zinc/86/42/37/486864237.db2.gz WCJCNJYLLYTNRF-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN Cc1ccc(CN(C)CC2CC2)nc1 676556971 486864371 /nfs/dbraw/zinc/86/43/71/486864371.db2.gz CPEGJAGXMDFMRL-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN CCCCCN1CCOCC12CCC2 676716517 486869186 /nfs/dbraw/zinc/86/91/86/486869186.db2.gz FJAVBSYTKOSYGP-UHFFFAOYSA-N 0 3 197.322 2.432 10 0 AEAEHN CC1=CCN(CCOC(C)(C)C)CC1 677379562 486885491 /nfs/dbraw/zinc/88/54/91/486885491.db2.gz BTGCIFYOGCAQAV-UHFFFAOYSA-N 0 3 197.322 2.454 10 0 AEAEHN CCCCOCCN1CC=C(C)CC1 677379618 486886156 /nfs/dbraw/zinc/88/61/56/486886156.db2.gz GLEVKQPMFHKYMC-UHFFFAOYSA-N 0 3 197.322 2.455 10 0 AEAEHN COCCN1CC=C(C(C)(C)C)CC1 677560892 486889450 /nfs/dbraw/zinc/88/94/50/486889450.db2.gz AWFQKQGGWJCBSX-UHFFFAOYSA-N 0 3 197.322 2.311 10 0 AEAEHN CCCN1CC2(C1)CC(F)(F)C2 677733857 486895722 /nfs/dbraw/zinc/89/57/22/486895722.db2.gz QJXFVAPXXJRASI-UHFFFAOYSA-N 0 3 175.222 2.128 10 0 AEAEHN CC(C)CN1CC2(C1)CC(F)(F)C2 677735213 486896278 /nfs/dbraw/zinc/89/62/78/486896278.db2.gz AALIMDGEOWLKSZ-UHFFFAOYSA-N 0 3 189.249 2.374 10 0 AEAEHN CC(C)N1CC2(C1)CC(F)(F)C2 677732240 486896337 /nfs/dbraw/zinc/89/63/37/486896337.db2.gz DWQYDVSDGAPZAK-UHFFFAOYSA-N 0 3 175.222 2.126 10 0 AEAEHN FC1(F)CC2(CN(CC3CC3)C2)C1 677736326 486896586 /nfs/dbraw/zinc/89/65/86/486896586.db2.gz NOKGUCRTERFQFH-UHFFFAOYSA-N 0 3 187.233 2.128 10 0 AEAEHN CCCCCN1CCOC2(CCC2)C1 677990464 486910903 /nfs/dbraw/zinc/91/09/03/486910903.db2.gz CLLXNQOSFMYZKM-UHFFFAOYSA-N 0 3 197.322 2.432 10 0 AEAEHN CCCn1cc(CN(C)C(C)C)cn1 678120539 486918235 /nfs/dbraw/zinc/91/82/35/486918235.db2.gz BCHXFYSFVRUKPO-UHFFFAOYSA-N 0 3 195.310 2.133 10 0 AEAEHN CCCn1cc(CN(CC)CC)cn1 678120433 486918247 /nfs/dbraw/zinc/91/82/47/486918247.db2.gz SOZKRKWOLNMSBO-UHFFFAOYSA-N 0 3 195.310 2.135 10 0 AEAEHN CCCN(C)Cc1ccc(COC)o1 678132418 486918845 /nfs/dbraw/zinc/91/88/45/486918845.db2.gz FTFZQAIXTJLOHP-UHFFFAOYSA-N 0 3 197.278 2.268 10 0 AEAEHN CCCN(C)Cc1cnn(CCC)c1 678132384 486919388 /nfs/dbraw/zinc/91/93/88/486919388.db2.gz CNCRVIOAFPHFSE-UHFFFAOYSA-N 0 3 195.310 2.135 10 0 AEAEHN CCN(C)Cc1c[nH]nc1C(C)(C)C 678134275 486920227 /nfs/dbraw/zinc/92/02/27/486920227.db2.gz VASJIVCROPCXOE-UHFFFAOYSA-N 0 3 195.310 2.159 10 0 AEAEHN CCN(C)Cc1cnn(C(C)(C)C)c1 678134053 486920542 /nfs/dbraw/zinc/92/05/42/486920542.db2.gz RFBAAFMHMXQGJW-UHFFFAOYSA-N 0 3 195.310 2.090 10 0 AEAEHN CCN(Cc1cc[nH]n1)C1CCCC1 678140911 486921358 /nfs/dbraw/zinc/92/13/58/486921358.db2.gz VWBVMJCSOQTOJO-UHFFFAOYSA-N 0 3 193.294 2.174 10 0 AEAEHN C[C@@H](c1ccccn1)N(C)CCCF 678163417 486923160 /nfs/dbraw/zinc/92/31/60/486923160.db2.gz YTUYTWXFPIMMBF-JTQLQIEISA-N 0 3 196.269 2.434 10 0 AEAEHN C[C@H](c1ccccn1)N(C)CCCF 678163418 486923281 /nfs/dbraw/zinc/92/32/81/486923281.db2.gz YTUYTWXFPIMMBF-SNVBAGLBSA-N 0 3 196.269 2.434 10 0 AEAEHN Cc1ncccc1CN(C)CC1CC1 678192176 486924217 /nfs/dbraw/zinc/92/42/17/486924217.db2.gz DLDCYUMURIDMRT-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN CC(C)N1CCC(c2ccon2)CC1 114331827 486925083 /nfs/dbraw/zinc/92/50/83/486925083.db2.gz BCGXZXBONUEGJC-UHFFFAOYSA-N 0 3 194.278 2.262 10 0 AEAEHN Cc1ccoc1CN(C)CC1CC1 678192496 486925739 /nfs/dbraw/zinc/92/57/39/486925739.db2.gz LJIXUHIYWGNKNY-UHFFFAOYSA-N 0 3 179.263 2.430 10 0 AEAEHN C/C=C\CNCc1ccccc1 114784804 486925908 /nfs/dbraw/zinc/92/59/08/486925908.db2.gz USEGQYNVYCNAPA-IHWYPQMZSA-N 0 3 161.248 2.352 10 0 AEAEHN C[C@H]1CC[C@@H](C)CN1Cc1cn[nH]c1 678270496 486929177 /nfs/dbraw/zinc/92/91/77/486929177.db2.gz CKAPHMAEMUBLBX-ZJUUUORDSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CC[C@@H](C)N(Cc2cn[nH]c2)C1 678270494 486929273 /nfs/dbraw/zinc/92/92/73/486929273.db2.gz CKAPHMAEMUBLBX-VHSXEESVSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CC[C@H](C)N(Cc2cn[nH]c2)C1 678270493 486930095 /nfs/dbraw/zinc/93/00/95/486930095.db2.gz CKAPHMAEMUBLBX-UWVGGRQHSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N(Cc2cn[nH]c2)C1 678270492 486930174 /nfs/dbraw/zinc/93/01/74/486930174.db2.gz CKAPHMAEMUBLBX-NXEZZACHSA-N 0 3 193.294 2.030 10 0 AEAEHN CC(C)N(Cc1cc[nH]n1)C1CCC1 678276420 486931157 /nfs/dbraw/zinc/93/11/57/486931157.db2.gz HWTTVWKHRGMHET-UHFFFAOYSA-N 0 3 193.294 2.173 10 0 AEAEHN CC(C)[C@H](NCc1ccon1)C1CC1 122437703 486933840 /nfs/dbraw/zinc/93/38/40/486933840.db2.gz GWGSWVYXMFNJSZ-NSHDSACASA-N 0 3 194.278 2.199 10 0 AEAEHN CC(C)[C@@H](NCc1ccon1)C1CC1 122437982 486933962 /nfs/dbraw/zinc/93/39/62/486933962.db2.gz GWGSWVYXMFNJSZ-LLVKDONJSA-N 0 3 194.278 2.199 10 0 AEAEHN Cc1cccnc1CN(C)CC1CC1 678514745 486938445 /nfs/dbraw/zinc/93/84/45/486938445.db2.gz SCYROQHWTXUAJV-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccoc1 134526039 486941189 /nfs/dbraw/zinc/94/11/89/486941189.db2.gz KWRSPFDFVZATEO-IQJOONFLSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccco1 134401130 486941414 /nfs/dbraw/zinc/94/14/14/486941414.db2.gz KVORAHBBDLDACH-OPRDCNLKSA-N 0 3 195.262 2.108 10 0 AEAEHN CCC[C@H](C)CN1CCN(CC)CC1 678833294 486947773 /nfs/dbraw/zinc/94/77/73/486947773.db2.gz YFAZXKWKMXEQBL-LBPRGKRZSA-N 0 3 198.354 2.060 10 0 AEAEHN CCC[C@@H](C)CN(C)Cc1cn[nH]c1 678830525 486947848 /nfs/dbraw/zinc/94/78/48/486947848.db2.gz OPEGTIGAMKYESX-SNVBAGLBSA-N 0 3 195.310 2.278 10 0 AEAEHN CCC[C@H](C)CN(C)Cc1cn[nH]c1 678830524 486948310 /nfs/dbraw/zinc/94/83/10/486948310.db2.gz OPEGTIGAMKYESX-JTQLQIEISA-N 0 3 195.310 2.278 10 0 AEAEHN CCC[C@@H](C)CN1CCN(CC)CC1 678833293 486948323 /nfs/dbraw/zinc/94/83/23/486948323.db2.gz YFAZXKWKMXEQBL-GFCCVEGCSA-N 0 3 198.354 2.060 10 0 AEAEHN CN(C)CCSCC(C)(C)C 147575172 486955813 /nfs/dbraw/zinc/95/58/13/486955813.db2.gz BCZWKCSKVXKVEH-UHFFFAOYSA-N 0 3 175.341 2.327 10 0 AEAEHN CC(C)OCCCN1CC=CCC1 679321436 486957476 /nfs/dbraw/zinc/95/74/76/486957476.db2.gz BYPZQFUXFRBOPZ-UHFFFAOYSA-N 0 3 183.295 2.063 10 0 AEAEHN CC(C)N(Cc1ccn(C)n1)C(C)C 679320408 486957531 /nfs/dbraw/zinc/95/75/31/486957531.db2.gz AUOLNRDVTAVUCC-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CC(C)N(Cc1cncn1C)C(C)C 679320425 486957746 /nfs/dbraw/zinc/95/77/46/486957746.db2.gz DGRRYOHQZALPGW-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CC(C)N(Cc1ccnn1C)C(C)C 679320660 486957876 /nfs/dbraw/zinc/95/78/76/486957876.db2.gz DVNKMTMSZINFIS-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN C[C@H](c1cccnc1)N1CC=CCC1 679322597 486958438 /nfs/dbraw/zinc/95/84/38/486958438.db2.gz CSIDIYONDUVMHE-LLVKDONJSA-N 0 3 188.274 2.405 10 0 AEAEHN Cc1ccncc1CN1CC=CCC1 679322135 486958668 /nfs/dbraw/zinc/95/86/68/486958668.db2.gz BWVHOYIEYUCNKW-UHFFFAOYSA-N 0 3 188.274 2.152 10 0 AEAEHN C[C@@H](c1cccnc1)N1CC=CCC1 679322598 486958714 /nfs/dbraw/zinc/95/87/14/486958714.db2.gz CSIDIYONDUVMHE-NSHDSACASA-N 0 3 188.274 2.405 10 0 AEAEHN CO[C@@H](C)CN(C)Cc1ccc(C)o1 679850540 486968776 /nfs/dbraw/zinc/96/87/76/486968776.db2.gz JJYSMIIQAOKRNC-JTQLQIEISA-N 0 3 197.278 2.055 10 0 AEAEHN CO[C@@H](C)CN(C)Cc1ccsc1 679850296 486969448 /nfs/dbraw/zinc/96/94/48/486969448.db2.gz CADVQTWHZSHGHN-VIFPVBQESA-N 0 3 199.319 2.215 10 0 AEAEHN CO[C@H](C)CN(C)Cc1ccsc1 679850295 486969553 /nfs/dbraw/zinc/96/95/53/486969553.db2.gz CADVQTWHZSHGHN-SECBINFHSA-N 0 3 199.319 2.215 10 0 AEAEHN CO[C@@H](C)CN(C)Cc1cccs1 679851123 486970064 /nfs/dbraw/zinc/97/00/64/486970064.db2.gz PTFCHQDLHAUJMO-VIFPVBQESA-N 0 3 199.319 2.215 10 0 AEAEHN CO[C@H](C)CN(C)Cc1ccc(C)o1 679850541 486970090 /nfs/dbraw/zinc/97/00/90/486970090.db2.gz JJYSMIIQAOKRNC-SNVBAGLBSA-N 0 3 197.278 2.055 10 0 AEAEHN CO[C@H](C)CN(C)Cc1cccs1 679851121 486970118 /nfs/dbraw/zinc/97/01/18/486970118.db2.gz PTFCHQDLHAUJMO-SECBINFHSA-N 0 3 199.319 2.215 10 0 AEAEHN C[C@H]1CCCC[C@@H]1CN1CCOCC1 680326955 486981748 /nfs/dbraw/zinc/98/17/48/486981748.db2.gz DHZSGHGBWUCXEP-NWDGAFQWSA-N 0 3 197.322 2.145 10 0 AEAEHN C[C@@H]1CCCC[C@H]1CN1CCOCC1 680326953 486981813 /nfs/dbraw/zinc/98/18/13/486981813.db2.gz DHZSGHGBWUCXEP-NEPJUHHUSA-N 0 3 197.322 2.145 10 0 AEAEHN C[C@H]1CCCC[C@H]1CN1CCOCC1 680326956 486981894 /nfs/dbraw/zinc/98/18/94/486981894.db2.gz DHZSGHGBWUCXEP-RYUDHWBXSA-N 0 3 197.322 2.145 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1CN1CCOCC1 680326958 486982107 /nfs/dbraw/zinc/98/21/07/486982107.db2.gz DHZSGHGBWUCXEP-VXGBXAGGSA-N 0 3 197.322 2.145 10 0 AEAEHN CCc1ccc(CN(CC)CC)nc1 165804062 486993667 /nfs/dbraw/zinc/99/36/67/486993667.db2.gz WKJWWJRODCFJKN-UHFFFAOYSA-N 0 3 192.306 2.486 10 0 AEAEHN Cc1ccc(CN(C)CC2CC2)cn1 680931549 487001233 /nfs/dbraw/zinc/00/12/33/487001233.db2.gz VCAWTTRMCCIHQM-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN CC/C=C/CCN1CCO[C@@H](CC)C1 681018366 487004368 /nfs/dbraw/zinc/00/43/68/487004368.db2.gz ALEMNJQOPMCULX-FYJFLYSWSA-N 0 3 197.322 2.454 10 0 AEAEHN CC/C=C/CCN1CCO[C@H](CC)C1 681018361 487004521 /nfs/dbraw/zinc/00/45/21/487004521.db2.gz ALEMNJQOPMCULX-BTDICHCPSA-N 0 3 197.322 2.454 10 0 AEAEHN CC/C=C\CCN1CCOCC1(C)C 681018403 487004592 /nfs/dbraw/zinc/00/45/92/487004592.db2.gz AUWMXYJEXAAQOQ-WAYWQWQTSA-N 0 3 197.322 2.454 10 0 AEAEHN CC/C=C/CCN1CCOCC1(C)C 681018401 487004950 /nfs/dbraw/zinc/00/49/50/487004950.db2.gz AUWMXYJEXAAQOQ-AATRIKPKSA-N 0 3 197.322 2.454 10 0 AEAEHN CC/C=C\CCN1CCO[C@H](CC)C1 681018365 487004979 /nfs/dbraw/zinc/00/49/79/487004979.db2.gz ALEMNJQOPMCULX-FOQNGQEVSA-N 0 3 197.322 2.454 10 0 AEAEHN CC/C=C\CCN1CCO[C@@H](CC)C1 681018363 487005005 /nfs/dbraw/zinc/00/50/05/487005005.db2.gz ALEMNJQOPMCULX-FJOGCWAESA-N 0 3 197.322 2.454 10 0 AEAEHN CCN(C)Cc1ccc(C)cc1OC 199966344 487016185 /nfs/dbraw/zinc/01/61/85/487016185.db2.gz QHTMRXFDXSCMPV-UHFFFAOYSA-N 0 3 193.290 2.455 10 0 AEAEHN CC(C)COCCN1CCCCC1 201786128 487017731 /nfs/dbraw/zinc/01/77/31/487017731.db2.gz FQSIELKKNDMKDM-UHFFFAOYSA-N 0 3 185.311 2.145 10 0 AEAEHN CC(C)CCN1CCO[C@@H](C2CC2)C1 681594860 487027017 /nfs/dbraw/zinc/02/70/17/487027017.db2.gz ZQWOCEQAOTYZIK-GFCCVEGCSA-N 0 3 197.322 2.143 10 0 AEAEHN CCCCCN1CCO[C@@H](C2CC2)C1 681594546 487027039 /nfs/dbraw/zinc/02/70/39/487027039.db2.gz WHYZMTHSRNTTKD-GFCCVEGCSA-N 0 3 197.322 2.287 10 0 AEAEHN CC[C@H](C)CN1CCO[C@H](C2CC2)C1 681594663 487027081 /nfs/dbraw/zinc/02/70/81/487027081.db2.gz GHFVHXLIQDZWSX-JQWIXIFHSA-N 0 3 197.322 2.143 10 0 AEAEHN CCCCCN1CCO[C@H](C2CC2)C1 681594547 487027380 /nfs/dbraw/zinc/02/73/80/487027380.db2.gz WHYZMTHSRNTTKD-LBPRGKRZSA-N 0 3 197.322 2.287 10 0 AEAEHN CC[C@@H](C)CN1CCO[C@H](C2CC2)C1 681594664 487027467 /nfs/dbraw/zinc/02/74/67/487027467.db2.gz GHFVHXLIQDZWSX-PWSUYJOCSA-N 0 3 197.322 2.143 10 0 AEAEHN CC[C@H](C)CN1CCO[C@@H](C2CC2)C1 681594662 487027525 /nfs/dbraw/zinc/02/75/25/487027525.db2.gz GHFVHXLIQDZWSX-CMPLNLGQSA-N 0 3 197.322 2.143 10 0 AEAEHN CC(C)CCN1CCO[C@H](C2CC2)C1 681594861 487027619 /nfs/dbraw/zinc/02/76/19/487027619.db2.gz ZQWOCEQAOTYZIK-LBPRGKRZSA-N 0 3 197.322 2.143 10 0 AEAEHN CC[C@@H](C)CN1CCO[C@@H](C2CC2)C1 681594665 487027743 /nfs/dbraw/zinc/02/77/43/487027743.db2.gz GHFVHXLIQDZWSX-ZYHUDNBSSA-N 0 3 197.322 2.143 10 0 AEAEHN CN(Cc1cncc(F)c1)CC1CC1 681751570 487038223 /nfs/dbraw/zinc/03/82/23/487038223.db2.gz FDQYRYQSDSABJX-UHFFFAOYSA-N 0 3 194.253 2.063 10 0 AEAEHN CCC[C@H](C)N(C)Cc1cnccn1 682070162 487042588 /nfs/dbraw/zinc/04/25/88/487042588.db2.gz WEKLFWXZKIVDJP-JTQLQIEISA-N 0 3 193.294 2.097 10 0 AEAEHN C[C@H](O)CCN(C)[C@@H](C)c1ccco1 682070922 487042614 /nfs/dbraw/zinc/04/26/14/487042614.db2.gz GPZIGNHQFKZBEZ-UWVGGRQHSA-N 0 3 197.278 2.043 10 0 AEAEHN CCC[C@H](C)N1CCO[C@H](C2CC2)C1 682072542 487042630 /nfs/dbraw/zinc/04/26/30/487042630.db2.gz JMWAXVAWLMDKBG-JQWIXIFHSA-N 0 3 197.322 2.286 10 0 AEAEHN C[C@H](O)CCN(C)[C@H](C)c1ccco1 682070926 487042697 /nfs/dbraw/zinc/04/26/97/487042697.db2.gz GPZIGNHQFKZBEZ-VHSXEESVSA-N 0 3 197.278 2.043 10 0 AEAEHN C[C@@H](O)CCN(C)[C@H](C)c1ccco1 682070919 487042801 /nfs/dbraw/zinc/04/28/01/487042801.db2.gz GPZIGNHQFKZBEZ-NXEZZACHSA-N 0 3 197.278 2.043 10 0 AEAEHN CCC[C@H](C)N1CCO[C@@H](C2CC2)C1 682072541 487042917 /nfs/dbraw/zinc/04/29/17/487042917.db2.gz JMWAXVAWLMDKBG-CMPLNLGQSA-N 0 3 197.322 2.286 10 0 AEAEHN CCC[C@@H](C)N1CCO[C@@H](C2CC2)C1 682072545 487043184 /nfs/dbraw/zinc/04/31/84/487043184.db2.gz JMWAXVAWLMDKBG-ZYHUDNBSSA-N 0 3 197.322 2.286 10 0 AEAEHN CCC[C@@H](C)N(C)Cc1cnccn1 682070163 487043237 /nfs/dbraw/zinc/04/32/37/487043237.db2.gz WEKLFWXZKIVDJP-SNVBAGLBSA-N 0 3 193.294 2.097 10 0 AEAEHN CCC[C@@H](C)N1CCO[C@H](C2CC2)C1 682072543 487043430 /nfs/dbraw/zinc/04/34/30/487043430.db2.gz JMWAXVAWLMDKBG-PWSUYJOCSA-N 0 3 197.322 2.286 10 0 AEAEHN C[C@@H](c1ccco1)N(C)CC[C@@H](C)O 682070929 487043443 /nfs/dbraw/zinc/04/34/43/487043443.db2.gz GPZIGNHQFKZBEZ-ZJUUUORDSA-N 0 3 197.278 2.043 10 0 AEAEHN C[C@@H]1CN(CCC2CC2)[C@H](C)[C@@H](C)O1 682091634 487045161 /nfs/dbraw/zinc/04/51/61/487045161.db2.gz YBVCGRPXVPRDQB-GMTAPVOTSA-N 0 3 197.322 2.284 10 0 AEAEHN CC(C)=CCN1C[C@H](C)O[C@H](C)[C@H]1C 682091438 487045180 /nfs/dbraw/zinc/04/51/80/487045180.db2.gz PRMANCFRKYIJEO-QJPTWQEYSA-N 0 3 197.322 2.450 10 0 AEAEHN CC(C)=CCN1C[C@H](C)O[C@@H](C)[C@@H]1C 682091440 487045279 /nfs/dbraw/zinc/04/52/79/487045279.db2.gz PRMANCFRKYIJEO-SRVKXCTJSA-N 0 3 197.322 2.450 10 0 AEAEHN C[C@@H]1O[C@H](C)CN(CCC2CC2)[C@@H]1C 682091635 487045634 /nfs/dbraw/zinc/04/56/34/487045634.db2.gz YBVCGRPXVPRDQB-MXWKQRLJSA-N 0 3 197.322 2.284 10 0 AEAEHN CC(C)=CCN1C[C@H](C)O[C@@H](C)[C@H]1C 682091441 487045672 /nfs/dbraw/zinc/04/56/72/487045672.db2.gz PRMANCFRKYIJEO-TUAOUCFPSA-N 0 3 197.322 2.450 10 0 AEAEHN CC(C)=CCN1C[C@H](C)O[C@H](C)[C@@H]1C 682091439 487045561 /nfs/dbraw/zinc/04/55/61/487045561.db2.gz PRMANCFRKYIJEO-SDDRHHMPSA-N 0 3 197.322 2.450 10 0 AEAEHN C[C@@H]1O[C@H](C)CN(CCC2CC2)[C@H]1C 682091637 487045860 /nfs/dbraw/zinc/04/58/60/487045860.db2.gz YBVCGRPXVPRDQB-VWYCJHECSA-N 0 3 197.322 2.284 10 0 AEAEHN C[C@H]1[C@@H](C)O[C@H](C)CN1CCC1CC1 682091636 487046228 /nfs/dbraw/zinc/04/62/28/487046228.db2.gz YBVCGRPXVPRDQB-OUAUKWLOSA-N 0 3 197.322 2.284 10 0 AEAEHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccoc1 226437209 487051160 /nfs/dbraw/zinc/05/11/60/487051160.db2.gz KWRSPFDFVZATEO-FXPVBKGRSA-N 0 3 195.262 2.108 10 0 AEAEHN Cc1cncc(CN(C)CC2CC2)c1 682366346 487054374 /nfs/dbraw/zinc/05/43/74/487054374.db2.gz FPZGURYOPPQESA-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN CCN1CC(C)(C)OC2(CCCC2)C1 682373365 487055214 /nfs/dbraw/zinc/05/52/14/487055214.db2.gz DNLZTBZQEDPIEQ-UHFFFAOYSA-N 0 3 197.322 2.430 10 0 AEAEHN C[C@@H](CC1CCC1)NCc1ncc[nH]1 229696576 487068912 /nfs/dbraw/zinc/06/89/12/487068912.db2.gz YRJTXCZOJWIINK-VIFPVBQESA-N 0 3 193.294 2.078 10 0 AEAEHN C[C@H](CC1CCC1)NCc1ncc[nH]1 229696583 487069050 /nfs/dbraw/zinc/06/90/50/487069050.db2.gz YRJTXCZOJWIINK-SECBINFHSA-N 0 3 193.294 2.078 10 0 AEAEHN CCC[C@@H](C)n1cc([C@H](N)CC)nn1 229951951 487069414 /nfs/dbraw/zinc/06/94/14/487069414.db2.gz HRNRMKOMWHISQP-RKDXNWHRSA-N 0 3 196.298 2.049 10 0 AEAEHN CCC[C@H](C)n1cc([C@@H](N)CC)nn1 229951947 487069693 /nfs/dbraw/zinc/06/96/93/487069693.db2.gz HRNRMKOMWHISQP-IUCAKERBSA-N 0 3 196.298 2.049 10 0 AEAEHN CCC[C@@H](C)n1cc([C@@H](N)CC)nn1 229951943 487070097 /nfs/dbraw/zinc/07/00/97/487070097.db2.gz HRNRMKOMWHISQP-BDAKNGLRSA-N 0 3 196.298 2.049 10 0 AEAEHN CCC[C@H](C)n1cc([C@H](N)CC)nn1 229951953 487070349 /nfs/dbraw/zinc/07/03/49/487070349.db2.gz HRNRMKOMWHISQP-DTWKUNHWSA-N 0 3 196.298 2.049 10 0 AEAEHN C[C@H](NCc1ccno1)C1CCCC1 230640935 487074401 /nfs/dbraw/zinc/07/44/01/487074401.db2.gz GKUKCOJFTCABKH-VIFPVBQESA-N 0 3 194.278 2.343 10 0 AEAEHN C[C@@H](NCc1ccno1)C1CCCC1 230640929 487074640 /nfs/dbraw/zinc/07/46/40/487074640.db2.gz GKUKCOJFTCABKH-SECBINFHSA-N 0 3 194.278 2.343 10 0 AEAEHN CCC(C)(CC)NCc1cnccn1 230956121 487076851 /nfs/dbraw/zinc/07/68/51/487076851.db2.gz AYGNSQYGOCFBPV-UHFFFAOYSA-N 0 3 193.294 2.145 10 0 AEAEHN Cc1ccnc(CN(C)CC2CC2)c1 683004963 487077834 /nfs/dbraw/zinc/07/78/34/487077834.db2.gz NIBAPIXOBITYJV-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN C[C@@H]1O[C@H](C)CN(C[C@@H]2C[C@@H]2C)[C@H]1C 683111229 487083851 /nfs/dbraw/zinc/08/38/51/487083851.db2.gz RMKKOUOTAOLNEB-OSUNSFLBSA-N 0 3 197.322 2.140 10 0 AEAEHN C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@H](C)[C@H]1C 683111224 487084235 /nfs/dbraw/zinc/08/42/35/487084235.db2.gz RMKKOUOTAOLNEB-KQSJRHEJSA-N 0 3 197.322 2.140 10 0 AEAEHN C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@H](C)[C@@H]1C 683111226 487084426 /nfs/dbraw/zinc/08/44/26/487084426.db2.gz RMKKOUOTAOLNEB-MJDLHHQISA-N 0 3 197.322 2.140 10 0 AEAEHN C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@@H](C)[C@H]1C 683111222 487084520 /nfs/dbraw/zinc/08/45/20/487084520.db2.gz RMKKOUOTAOLNEB-KNZXXDILSA-N 0 3 197.322 2.140 10 0 AEAEHN CC(C)[C@H]1CCCN1Cc1cocn1 683350242 487087869 /nfs/dbraw/zinc/08/78/69/487087869.db2.gz FBFRUXAEALGIFA-LLVKDONJSA-N 0 3 194.278 2.295 10 0 AEAEHN CC(C)[C@@H]1CCCN1Cc1cocn1 683350243 487088117 /nfs/dbraw/zinc/08/81/17/487088117.db2.gz FBFRUXAEALGIFA-NSHDSACASA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1C[C@@H](C)CN1Cc1cocn1 683352000 487089149 /nfs/dbraw/zinc/08/91/49/487089149.db2.gz UTUSSMLHYMQTQJ-KOLCDFICSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1C[C@H](C)CN1Cc1cocn1 683352002 487089216 /nfs/dbraw/zinc/08/92/16/487089216.db2.gz UTUSSMLHYMQTQJ-ONGXEEELSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1C[C@@H](C)CN1Cc1cocn1 683352001 487089321 /nfs/dbraw/zinc/08/93/21/487089321.db2.gz UTUSSMLHYMQTQJ-MWLCHTKSSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1C[C@H](C)CN1Cc1cocn1 683351999 487089446 /nfs/dbraw/zinc/08/94/46/487089446.db2.gz UTUSSMLHYMQTQJ-GXSJLCMTSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1[C@@H](C)CCN1Cc1cocn1 683354862 487090243 /nfs/dbraw/zinc/09/02/43/487090243.db2.gz IXOKMBCFGJOEGK-GXSJLCMTSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1[C@H](C)CCN1Cc1cocn1 683354864 487090441 /nfs/dbraw/zinc/09/04/41/487090441.db2.gz IXOKMBCFGJOEGK-MWLCHTKSSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1[C@H](C)CCN1Cc1cocn1 683354863 487090515 /nfs/dbraw/zinc/09/05/15/487090515.db2.gz IXOKMBCFGJOEGK-KOLCDFICSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1[C@@H](C)CCN1Cc1cocn1 683354865 487090843 /nfs/dbraw/zinc/09/08/43/487090843.db2.gz IXOKMBCFGJOEGK-ONGXEEELSA-N 0 3 194.278 2.295 10 0 AEAEHN CN(Cc1cn[nH]c1)CC1(C)CCC1 683699363 487094413 /nfs/dbraw/zinc/09/44/13/487094413.db2.gz QRJMJSDBFXRHRS-UHFFFAOYSA-N 0 3 193.294 2.032 10 0 AEAEHN CC[C@H]1CN(CC2(C)CCC2)CCO1 683696568 487094466 /nfs/dbraw/zinc/09/44/66/487094466.db2.gz QMEJZKOJDARUSQ-NSHDSACASA-N 0 3 197.322 2.287 10 0 AEAEHN CCn1ccnc1NCC1(C)CC1 234187293 487094477 /nfs/dbraw/zinc/09/44/77/487094477.db2.gz NSVHNOBFYHYYNC-UHFFFAOYSA-N 0 3 179.267 2.115 10 0 AEAEHN CC[C@@H]1CN(CC2(C)CCC2)CCO1 683696567 487094796 /nfs/dbraw/zinc/09/47/96/487094796.db2.gz QMEJZKOJDARUSQ-LLVKDONJSA-N 0 3 197.322 2.287 10 0 AEAEHN CC1(CN2CCOC(C)(C)C2)CCC1 683696662 487094946 /nfs/dbraw/zinc/09/49/46/487094946.db2.gz BKZXCWIXMHTXNW-UHFFFAOYSA-N 0 3 197.322 2.287 10 0 AEAEHN CCN(C)Cc1ccc(C)c(OC)c1 683696518 487095089 /nfs/dbraw/zinc/09/50/89/487095089.db2.gz NEVXHYYAEQFYBB-UHFFFAOYSA-N 0 3 193.290 2.455 10 0 AEAEHN CCCCN1CCC[C@@H]1c1cc[nH]n1 683896969 487103353 /nfs/dbraw/zinc/10/33/53/487103353.db2.gz GJBUKJPCZNRMFT-LLVKDONJSA-N 0 3 193.294 2.347 10 0 AEAEHN CCCCN1CCC[C@H]1c1cc[nH]n1 683896970 487103648 /nfs/dbraw/zinc/10/36/48/487103648.db2.gz GJBUKJPCZNRMFT-NSHDSACASA-N 0 3 193.294 2.347 10 0 AEAEHN Cc1nc(C)c(CN2CC[C@H](C)C2)o1 683897965 487103815 /nfs/dbraw/zinc/10/38/15/487103815.db2.gz HSJVOJVWEBVNQR-QMMMGPOBSA-N 0 3 194.278 2.133 10 0 AEAEHN Cc1nc(C)c(CN(C)C2CCC2)o1 683897507 487103922 /nfs/dbraw/zinc/10/39/22/487103922.db2.gz AQDFGAOETAFYTJ-UHFFFAOYSA-N 0 3 194.278 2.276 10 0 AEAEHN Cc1nc(C)c(CN2CC[C@@H](C)C2)o1 683897964 487104115 /nfs/dbraw/zinc/10/41/15/487104115.db2.gz HSJVOJVWEBVNQR-MRVPVSSYSA-N 0 3 194.278 2.133 10 0 AEAEHN Cc1ccnc(CN2[C@@H](C)C[C@H]2C)c1 684208343 487111723 /nfs/dbraw/zinc/11/17/23/487111723.db2.gz LJLZERSVLBFIPS-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccnc(CN2[C@H](C)C[C@H]2C)c1 684208342 487112291 /nfs/dbraw/zinc/11/22/91/487112291.db2.gz LJLZERSVLBFIPS-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccnc(CN2[C@@H](C)C[C@@H]2C)c1 684208344 487112336 /nfs/dbraw/zinc/11/23/36/487112336.db2.gz LJLZERSVLBFIPS-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN CC(C)C1CN(Cc2ccncc2)C1 684408233 487121340 /nfs/dbraw/zinc/12/13/40/487121340.db2.gz GWCXTRMQOZBPFU-UHFFFAOYSA-N 0 3 190.290 2.169 10 0 AEAEHN CC[C@H](C)N(C)Cc1ccnc(C)n1 684619192 487125318 /nfs/dbraw/zinc/12/53/18/487125318.db2.gz HEXKXAVGYCSZRZ-VIFPVBQESA-N 0 3 193.294 2.015 10 0 AEAEHN CC[C@@H](C)N(C)Cc1ccnc(C)n1 684619191 487125511 /nfs/dbraw/zinc/12/55/11/487125511.db2.gz HEXKXAVGYCSZRZ-SECBINFHSA-N 0 3 193.294 2.015 10 0 AEAEHN CCCCN(C)Cc1ccnc(C)n1 684616629 487125907 /nfs/dbraw/zinc/12/59/07/487125907.db2.gz UVPIBNQBCVHZHL-UHFFFAOYSA-N 0 3 193.294 2.017 10 0 AEAEHN Cc1ccncc1CN(C)CCCF 684623975 487127126 /nfs/dbraw/zinc/12/71/26/487127126.db2.gz OYWMJJOIWKLAAE-UHFFFAOYSA-N 0 3 196.269 2.181 10 0 AEAEHN CC1=CCCN(CCOCC2CC2)C1 684773659 487130595 /nfs/dbraw/zinc/13/05/95/487130595.db2.gz BYPNCNGERIZCGY-UHFFFAOYSA-N 0 3 195.306 2.065 10 0 AEAEHN COc1ccccc1CN1CC(C)C1 684836082 487135115 /nfs/dbraw/zinc/13/51/15/487135115.db2.gz PZRHUOBVTOWGHR-UHFFFAOYSA-N 0 3 191.274 2.147 10 0 AEAEHN CCN(C)Cc1cn(C(C)C)nc1C 684964304 487137772 /nfs/dbraw/zinc/13/77/72/487137772.db2.gz NMOTVVBEDWTRAF-UHFFFAOYSA-N 0 3 195.310 2.224 10 0 AEAEHN CC[C@H]1CC[C@H](C)N1Cc1cocn1 685470955 487145412 /nfs/dbraw/zinc/14/54/12/487145412.db2.gz BZYNGNGYZOCHDW-ONGXEEELSA-N 0 3 194.278 2.438 10 0 AEAEHN CC[C@H]1CC[C@@H](C)N1Cc1cocn1 685470953 487145440 /nfs/dbraw/zinc/14/54/40/487145440.db2.gz BZYNGNGYZOCHDW-KOLCDFICSA-N 0 3 194.278 2.438 10 0 AEAEHN CC[C@@H]1CC[C@@H](C)N1Cc1cocn1 685470954 487145465 /nfs/dbraw/zinc/14/54/65/487145465.db2.gz BZYNGNGYZOCHDW-MWLCHTKSSA-N 0 3 194.278 2.438 10 0 AEAEHN CC[C@@H]1CC[C@H](C)N1Cc1cocn1 685470952 487145777 /nfs/dbraw/zinc/14/57/77/487145777.db2.gz BZYNGNGYZOCHDW-GXSJLCMTSA-N 0 3 194.278 2.438 10 0 AEAEHN Cc1nc(C)c(CN(C)CC(C)C)o1 685561765 487146677 /nfs/dbraw/zinc/14/66/77/487146677.db2.gz UKNTUTIMXLTLNZ-UHFFFAOYSA-N 0 3 196.294 2.379 10 0 AEAEHN CCCN(CCC)Cc1n[nH]cc1C 685832690 487149079 /nfs/dbraw/zinc/14/90/79/487149079.db2.gz JXYYNPLJEAQWMV-UHFFFAOYSA-N 0 3 195.310 2.340 10 0 AEAEHN CC[C@@H](C)CN(C)Cc1n[nH]cc1C 685834196 487150206 /nfs/dbraw/zinc/15/02/06/487150206.db2.gz OPUNHYMFKRFJPJ-SECBINFHSA-N 0 3 195.310 2.196 10 0 AEAEHN CCC(C)(C)N(C)Cc1n[nH]cc1C 685836970 487150235 /nfs/dbraw/zinc/15/02/35/487150235.db2.gz WOUPPXCTFLEARB-UHFFFAOYSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](C)CN(C)Cc1n[nH]cc1C 685834197 487150274 /nfs/dbraw/zinc/15/02/74/487150274.db2.gz OPUNHYMFKRFJPJ-VIFPVBQESA-N 0 3 195.310 2.196 10 0 AEAEHN CC[C@@H]1CCN1Cc1cccn1C 306155109 487150584 /nfs/dbraw/zinc/15/05/84/487150584.db2.gz BZNSEOGFQAUYDQ-SNVBAGLBSA-N 0 3 178.279 2.009 10 0 AEAEHN CC[C@H]1CCN1Cc1cccn1C 306155106 487150632 /nfs/dbraw/zinc/15/06/32/487150632.db2.gz BZNSEOGFQAUYDQ-JTQLQIEISA-N 0 3 178.279 2.009 10 0 AEAEHN Cc1n[nH]cc1[C@H](C)N[C@H]1CC1(C)C 306424675 487155562 /nfs/dbraw/zinc/15/55/62/487155562.db2.gz BWKLONSBDKNYRO-XVKPBYJWSA-N 0 3 193.294 2.167 10 0 AEAEHN Cc1n[nH]cc1[C@@H](C)N[C@H]1CC1(C)C 306424673 487155824 /nfs/dbraw/zinc/15/58/24/487155824.db2.gz BWKLONSBDKNYRO-XCBNKYQSSA-N 0 3 193.294 2.167 10 0 AEAEHN c1ncc(CN[C@@H]2[C@H]3CCC[C@H]32)s1 306446172 487156266 /nfs/dbraw/zinc/15/62/66/487156266.db2.gz SBHKEYQDMWYWBJ-MYJAWHEDSA-N 0 3 194.303 2.031 10 0 AEAEHN Cc1ncc(CN[C@@H]2C[C@H](C)[C@H]2C)o1 306897823 487169063 /nfs/dbraw/zinc/16/90/63/487169063.db2.gz VFBWOGOAYKTJOT-VAOFZXAKSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CN[C@@H]2C[C@H](C)[C@@H]2C)o1 306897821 487169087 /nfs/dbraw/zinc/16/90/87/487169087.db2.gz VFBWOGOAYKTJOT-DKCNOQQISA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CN[C@@H]2C[C@@H](C)[C@H]2C)o1 306897822 487169201 /nfs/dbraw/zinc/16/92/01/487169201.db2.gz VFBWOGOAYKTJOT-SOCHQFKDSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CN[C@@H]2C[C@@H](C)[C@@H]2C)o1 306897824 487169247 /nfs/dbraw/zinc/16/92/47/487169247.db2.gz VFBWOGOAYKTJOT-VHSKPIJISA-N 0 3 194.278 2.117 10 0 AEAEHN c1csc(CN[C@H]2C[C@@H]3C[C@@H]3C2)n1 307003091 487172196 /nfs/dbraw/zinc/17/21/96/487172196.db2.gz CWLLWCUQFHGMTL-AYMMMOKOSA-N 0 3 194.303 2.031 10 0 AEAEHN Cc1ccoc1CN[C@@H]1[C@H]2CCC[C@H]21 307374942 487180386 /nfs/dbraw/zinc/18/03/86/487180386.db2.gz UQMXBDBEAKWAGX-IAZYJMLFSA-N 0 3 191.274 2.476 10 0 AEAEHN FC1(CN2C[C@@H]3CCCC[C@@H]32)CC1 307409122 487180850 /nfs/dbraw/zinc/18/08/50/487180850.db2.gz MTUKGRTUJLMPGQ-UWVGGRQHSA-N 0 3 183.270 2.363 10 0 AEAEHN CC(C)COCCN1[C@H](C)C[C@H]1C 308161938 487195502 /nfs/dbraw/zinc/19/55/02/487195502.db2.gz VLMZZKIBKGVJEV-GHMZBOCLSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)COCCN1[C@@H](C)C[C@H]1C 308161940 487195531 /nfs/dbraw/zinc/19/55/31/487195531.db2.gz VLMZZKIBKGVJEV-PHIMTYICSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)COCCN1[C@@H](C)C[C@@H]1C 308161942 487195608 /nfs/dbraw/zinc/19/56/08/487195608.db2.gz VLMZZKIBKGVJEV-QWRGUYRKSA-N 0 3 185.311 2.142 10 0 AEAEHN CO[C@H](C)CNCc1csc(C)c1 308227691 487197377 /nfs/dbraw/zinc/19/73/77/487197377.db2.gz RKMOWRFGAOHXIS-MRVPVSSYSA-N 0 3 199.319 2.181 10 0 AEAEHN CO[C@@H](C)CNCc1csc(C)c1 308227695 487197538 /nfs/dbraw/zinc/19/75/38/487197538.db2.gz RKMOWRFGAOHXIS-QMMMGPOBSA-N 0 3 199.319 2.181 10 0 AEAEHN CCCCN1CC[C@H](OC(F)F)C1 308386882 487199935 /nfs/dbraw/zinc/19/99/35/487199935.db2.gz XKPOZPORGJXXRS-QMMMGPOBSA-N 0 3 193.237 2.100 10 0 AEAEHN Cc1occc1CNCCCCF 321682720 487214969 /nfs/dbraw/zinc/21/49/69/487214969.db2.gz ZKABTGDQBREUOF-UHFFFAOYSA-N 0 3 185.242 2.427 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@@H]2C[C@H]2C)no1 321657872 487215037 /nfs/dbraw/zinc/21/50/37/487215037.db2.gz WIYWEDLPLXYJGM-BCMRRPTOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@H]2C[C@H]2C)no1 321657877 487215047 /nfs/dbraw/zinc/21/50/47/487215047.db2.gz WIYWEDLPLXYJGM-ZOFUNIGCSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@H]2C[C@@H]2C)on1 321655309 487215107 /nfs/dbraw/zinc/21/51/07/487215107.db2.gz WDSMCSBFMFNBEN-NMLBEHRDSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@@H]2C[C@@H]2C)on1 321655308 487215166 /nfs/dbraw/zinc/21/51/66/487215166.db2.gz WDSMCSBFMFNBEN-JVUFJMBOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@@H]2C[C@@H]2C)no1 321657875 487215197 /nfs/dbraw/zinc/21/51/97/487215197.db2.gz WIYWEDLPLXYJGM-JVUFJMBOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@@H]2C[C@H]2C)on1 321655307 487215237 /nfs/dbraw/zinc/21/52/37/487215237.db2.gz WDSMCSBFMFNBEN-BCMRRPTOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@H]2C[C@H]2C)on1 321655310 487215270 /nfs/dbraw/zinc/21/52/70/487215270.db2.gz WDSMCSBFMFNBEN-ZOFUNIGCSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@H](C)[C@H]2C[C@@H]2C)no1 321657876 487215286 /nfs/dbraw/zinc/21/52/86/487215286.db2.gz WIYWEDLPLXYJGM-NMLBEHRDSA-N 0 3 194.278 2.117 10 0 AEAEHN C[C@@H]1C[C@H]1[C@@H](C)NCc1ccco1 321773192 487216447 /nfs/dbraw/zinc/21/64/47/487216447.db2.gz FVNIUVRAOZGCMC-FXPVBKGRSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@H](NCc1ccco1)[C@H]1C[C@H]1C 321773195 487216363 /nfs/dbraw/zinc/21/63/63/487216363.db2.gz FVNIUVRAOZGCMC-YWVKMMECSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@@H](C)NCc1ccco1 321773193 487216697 /nfs/dbraw/zinc/21/66/97/487216697.db2.gz FVNIUVRAOZGCMC-KKZNHRDASA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@H](NCc1ccco1)[C@@H]1C[C@H]1C 321773194 487216715 /nfs/dbraw/zinc/21/67/15/487216715.db2.gz FVNIUVRAOZGCMC-WCABBAIRSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@@H]1C[C@H]1[C@@H](C)NCc1nccs1 322326861 487220098 /nfs/dbraw/zinc/22/00/98/487220098.db2.gz KXIMQKMBASOTAN-IWSPIJDZSA-N 0 3 196.319 2.277 10 0 AEAEHN C[C@H](NCc1nccs1)[C@H]1C[C@H]1C 322326862 487220419 /nfs/dbraw/zinc/22/04/19/487220419.db2.gz KXIMQKMBASOTAN-VGMNWLOBSA-N 0 3 196.319 2.277 10 0 AEAEHN C[C@H](NCc1nccs1)[C@@H]1C[C@H]1C 322326860 487220438 /nfs/dbraw/zinc/22/04/38/487220438.db2.gz KXIMQKMBASOTAN-HRDYMLBCSA-N 0 3 196.319 2.277 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@@H](C)NCc1nccs1 322326859 487220520 /nfs/dbraw/zinc/22/05/20/487220520.db2.gz KXIMQKMBASOTAN-HLTSFMKQSA-N 0 3 196.319 2.277 10 0 AEAEHN CC[C@@](C)(CNCc1ccoc1)OC 323075009 487223597 /nfs/dbraw/zinc/22/35/97/487223597.db2.gz XJJUWTCRSURSEP-NSHDSACASA-N 0 3 197.278 2.184 10 0 AEAEHN CC[C@](C)(CNCc1ccoc1)OC 323075008 487223643 /nfs/dbraw/zinc/22/36/43/487223643.db2.gz XJJUWTCRSURSEP-LLVKDONJSA-N 0 3 197.278 2.184 10 0 AEAEHN C[C@@H]1CC[C@H]1NCc1ccncc1F 335574301 487230969 /nfs/dbraw/zinc/23/09/69/487230969.db2.gz BUQSBDSXLMAFLA-LDYMZIIASA-N 0 3 194.253 2.109 10 0 AEAEHN C[C@@H]1CC[C@@H]1NCc1ccncc1F 335574299 487231002 /nfs/dbraw/zinc/23/10/02/487231002.db2.gz BUQSBDSXLMAFLA-KCJUWKMLSA-N 0 3 194.253 2.109 10 0 AEAEHN C[C@H]1CC[C@H]1NCc1ccncc1F 335574298 487231038 /nfs/dbraw/zinc/23/10/38/487231038.db2.gz BUQSBDSXLMAFLA-GZMMTYOYSA-N 0 3 194.253 2.109 10 0 AEAEHN C[C@H]1CC[C@@H]1NCc1ccncc1F 335574300 487231049 /nfs/dbraw/zinc/23/10/49/487231049.db2.gz BUQSBDSXLMAFLA-KWQFWETISA-N 0 3 194.253 2.109 10 0 AEAEHN Cc1nocc1CN[C@H](C)C1CCC1 378704208 487234648 /nfs/dbraw/zinc/23/46/48/487234648.db2.gz OWNFJADDOTXWOW-MRVPVSSYSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@@H]1C[C@@H]1NCc1conc1C 378846886 487236114 /nfs/dbraw/zinc/23/61/14/487236114.db2.gz AJWVDUWEFUNIPV-KOLCDFICSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@H]1C[C@@H]1NCc1conc1C 378846887 487236235 /nfs/dbraw/zinc/23/62/35/487236235.db2.gz AJWVDUWEFUNIPV-ONGXEEELSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@H]1C[C@H]1NCc1conc1C 378846883 487236263 /nfs/dbraw/zinc/23/62/63/487236263.db2.gz AJWVDUWEFUNIPV-GXSJLCMTSA-N 0 3 194.278 2.261 10 0 AEAEHN CC[C@@H](C)N1CC[C@H](OC(F)F)C1 379357812 487239114 /nfs/dbraw/zinc/23/91/14/487239114.db2.gz SSNWZKKZKGVFMZ-SFYZADRCSA-N 0 3 193.237 2.098 10 0 AEAEHN CC[C@H](C)N1CC[C@H](OC(F)F)C1 379357813 487239148 /nfs/dbraw/zinc/23/91/48/487239148.db2.gz SSNWZKKZKGVFMZ-YUMQZZPRSA-N 0 3 193.237 2.098 10 0 AEAEHN C[C@@H](NCc1cnns1)C(C)(C)C 379381653 487241226 /nfs/dbraw/zinc/24/12/26/487241226.db2.gz DEKQPQUCCKQPBP-SSDOTTSWSA-N 0 3 199.323 2.062 10 0 AEAEHN Cc1c[nH]nc1CN[C@H](C)C(C)(C)C 379590863 487246500 /nfs/dbraw/zinc/24/65/00/487246500.db2.gz WTTLWUGHGGXSQD-SECBINFHSA-N 0 3 195.310 2.242 10 0 AEAEHN Cc1cc([C@H](C)NC[C@H]2C[C@H]2C)no1 379658240 487246945 /nfs/dbraw/zinc/24/69/45/487246945.db2.gz NHIRVXZYVBOGHF-FKTZTGRPSA-N 0 3 194.278 2.290 10 0 AEAEHN Cc1cc([C@H](C)NC[C@@H]2C[C@@H]2C)no1 379658325 487246993 /nfs/dbraw/zinc/24/69/93/487246993.db2.gz NHIRVXZYVBOGHF-HGNGGELXSA-N 0 3 194.278 2.290 10 0 AEAEHN Cc1cc([C@H](C)NC[C@@H]2C[C@H]2C)no1 379658327 487247059 /nfs/dbraw/zinc/24/70/59/487247059.db2.gz NHIRVXZYVBOGHF-JEZHCXPESA-N 0 3 194.278 2.290 10 0 AEAEHN Cc1cc([C@H](C)NC[C@H]2C[C@@H]2C)no1 379658328 487247224 /nfs/dbraw/zinc/24/72/24/487247224.db2.gz NHIRVXZYVBOGHF-UJNFCWOMSA-N 0 3 194.278 2.290 10 0 AEAEHN CC/C=C\CN[C@@H](C)c1cn[nH]c1 385135150 487254722 /nfs/dbraw/zinc/25/47/22/487254722.db2.gz HQDPLPFPLHOLAZ-WBSSQXGSSA-N 0 3 179.267 2.027 10 0 AEAEHN C/C=C/CN[C@@H](C)c1cnn(CC)c1 385014587 487254790 /nfs/dbraw/zinc/25/47/90/487254790.db2.gz NSEKQCNRRUVJEQ-RWCYGVJQSA-N 0 3 193.294 2.130 10 0 AEAEHN CC/C=C/CN[C@H](C)c1cn[nH]c1 385135151 487254817 /nfs/dbraw/zinc/25/48/17/487254817.db2.gz HQDPLPFPLHOLAZ-XNPJLODASA-N 0 3 179.267 2.027 10 0 AEAEHN C/C=C\CN[C@H](C)c1cnn(CC)c1 385014580 487254833 /nfs/dbraw/zinc/25/48/33/487254833.db2.gz NSEKQCNRRUVJEQ-AYYIZTPMSA-N 0 3 193.294 2.130 10 0 AEAEHN CC/C=C\CN[C@H](C)c1cn[nH]c1 385135153 487254905 /nfs/dbraw/zinc/25/49/05/487254905.db2.gz HQDPLPFPLHOLAZ-XRVBUDJMSA-N 0 3 179.267 2.027 10 0 AEAEHN CC/C=C/CN[C@@H](C)c1cn[nH]c1 385135149 487254955 /nfs/dbraw/zinc/25/49/55/487254955.db2.gz HQDPLPFPLHOLAZ-MOVJSRMASA-N 0 3 179.267 2.027 10 0 AEAEHN C/C=C/CN[C@H](C)c1cnn(CC)c1 385014583 487254971 /nfs/dbraw/zinc/25/49/71/487254971.db2.gz NSEKQCNRRUVJEQ-DFVUYQKZSA-N 0 3 193.294 2.130 10 0 AEAEHN C/C=C\CN[C@@H](C)c1cnn(CC)c1 385014586 487254985 /nfs/dbraw/zinc/25/49/85/487254985.db2.gz NSEKQCNRRUVJEQ-OAQKJQOQSA-N 0 3 193.294 2.130 10 0 AEAEHN Cc1ncc(CN[C@H](C)[C@H]2C[C@@H]2C)o1 397889747 487280561 /nfs/dbraw/zinc/28/05/61/487280561.db2.gz QXKODTSINDNMNK-RNSXUZJQSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CN[C@H](C)[C@H]2C[C@H]2C)o1 397889755 487280595 /nfs/dbraw/zinc/28/05/95/487280595.db2.gz QXKODTSINDNMNK-XLDPMVHQSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CN[C@H](C)[C@@H]2C[C@H]2C)o1 397889749 487280817 /nfs/dbraw/zinc/28/08/17/487280817.db2.gz QXKODTSINDNMNK-SOCHQFKDSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CN[C@H](C)[C@@H]2C[C@@H]2C)o1 397889752 487280912 /nfs/dbraw/zinc/28/09/12/487280912.db2.gz QXKODTSINDNMNK-VAOFZXAKSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CNCC2CCCC2)o1 397888017 487280902 /nfs/dbraw/zinc/28/09/02/487280902.db2.gz DYADMPWNKWTKCL-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN CC[C@H](NCc1conc1C)C1CC1 398015686 487281328 /nfs/dbraw/zinc/28/13/28/487281328.db2.gz PSWLEYVJJQJTON-NSHDSACASA-N 0 3 194.278 2.261 10 0 AEAEHN CC[C@@H](NCc1conc1C)C1CC1 398015684 487281345 /nfs/dbraw/zinc/28/13/45/487281345.db2.gz PSWLEYVJJQJTON-LLVKDONJSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1ncc(CNCC2(C)CCC2)o1 397940289 487281803 /nfs/dbraw/zinc/28/18/03/487281803.db2.gz YKEXNSLAFJMVNT-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN C[C@@H](CF)N[C@@H]1CC[C@H](C)SC1 655775561 487312328 /nfs/dbraw/zinc/31/23/28/487312328.db2.gz AXBONEDYQFKKIG-XHNCKOQMSA-N 0 3 191.315 2.218 10 0 AEAEHN C[C@@H](CF)N[C@H]1CC[C@@H](C)SC1 655775562 487312471 /nfs/dbraw/zinc/31/24/71/487312471.db2.gz AXBONEDYQFKKIG-YIZRAAEISA-N 0 3 191.315 2.218 10 0 AEAEHN C[C@@H](CF)N[C@H]1CC[C@H](C)SC1 655775557 487312559 /nfs/dbraw/zinc/31/25/59/487312559.db2.gz AXBONEDYQFKKIG-CIUDSAMLSA-N 0 3 191.315 2.218 10 0 AEAEHN C[C@@H](CF)N[C@@H]1CC[C@@H](C)SC1 655775559 487312575 /nfs/dbraw/zinc/31/25/75/487312575.db2.gz AXBONEDYQFKKIG-DJLDLDEBSA-N 0 3 191.315 2.218 10 0 AEAEHN Cc1occc1CN1CC=CCC1 666353562 487327269 /nfs/dbraw/zinc/32/72/69/487327269.db2.gz IEHSVMVMYBBYKV-UHFFFAOYSA-N 0 3 177.247 2.350 10 0 AEAEHN Cc1occc1CN1CC(C2CC2)C1 666378126 487327639 /nfs/dbraw/zinc/32/76/39/487327639.db2.gz XDBUSPPJBRIZBD-UHFFFAOYSA-N 0 3 191.274 2.430 10 0 AEAEHN Cc1occc1CNCC[C@@H](C)F 666383153 487327831 /nfs/dbraw/zinc/32/78/31/487327831.db2.gz NMVCRTRFZVPHQW-MRVPVSSYSA-N 0 3 185.242 2.426 10 0 AEAEHN Cc1occc1CNCC[C@H](C)F 666383154 487328297 /nfs/dbraw/zinc/32/82/97/487328297.db2.gz NMVCRTRFZVPHQW-QMMMGPOBSA-N 0 3 185.242 2.426 10 0 AEAEHN CCN(C)Cc1cc(COC)cs1 667495692 487356073 /nfs/dbraw/zinc/35/60/73/487356073.db2.gz VDYMZJWTZFNJGQ-UHFFFAOYSA-N 0 3 199.319 2.346 10 0 AEAEHN c1cc(CN[C@@H]2CCCC23CC3)on1 667979067 487358353 /nfs/dbraw/zinc/35/83/53/487358353.db2.gz WQWNQPFPSCFUOM-SNVBAGLBSA-N 0 3 192.262 2.097 10 0 AEAEHN c1cc(CN[C@H]2CCCC23CC3)on1 667979066 487358421 /nfs/dbraw/zinc/35/84/21/487358421.db2.gz WQWNQPFPSCFUOM-JTQLQIEISA-N 0 3 192.262 2.097 10 0 AEAEHN CCC[C@@H](C)CN(C)Cc1cnc[nH]1 668421853 487362176 /nfs/dbraw/zinc/36/21/76/487362176.db2.gz IKCJQBPYPIAPNV-SNVBAGLBSA-N 0 3 195.310 2.278 10 0 AEAEHN CCC[C@@H](C)CN(C)Cc1c[nH]cn1 668421853 487362171 /nfs/dbraw/zinc/36/21/71/487362171.db2.gz IKCJQBPYPIAPNV-SNVBAGLBSA-N 0 3 195.310 2.278 10 0 AEAEHN CCC[C@H](C)CN(C)Cc1c[nH]cn1 668421852 487362368 /nfs/dbraw/zinc/36/23/68/487362368.db2.gz IKCJQBPYPIAPNV-JTQLQIEISA-N 0 3 195.310 2.278 10 0 AEAEHN CCC[C@H](C)CN(C)Cc1cnc[nH]1 668421852 487362370 /nfs/dbraw/zinc/36/23/70/487362370.db2.gz IKCJQBPYPIAPNV-JTQLQIEISA-N 0 3 195.310 2.278 10 0 AEAEHN CN(C[C@H]1CC1(C)C)CC1(F)CC1 668814508 487369020 /nfs/dbraw/zinc/36/90/20/487369020.db2.gz LTLHLQBOEGEDND-SECBINFHSA-N 0 3 185.286 2.466 10 0 AEAEHN CN(C[C@@H]1CC1(C)C)CC1(F)CC1 668814509 487369034 /nfs/dbraw/zinc/36/90/34/487369034.db2.gz LTLHLQBOEGEDND-VIFPVBQESA-N 0 3 185.286 2.466 10 0 AEAEHN CCCCN(C)Cc1cncn1CC 669487977 487373423 /nfs/dbraw/zinc/37/34/23/487373423.db2.gz CSMODAITVNKNCW-UHFFFAOYSA-N 0 3 195.310 2.135 10 0 AEAEHN CC[C@H](C)N(C)Cc1cncn1CC 669492079 487373988 /nfs/dbraw/zinc/37/39/88/487373988.db2.gz DYENYWLVCHUWJE-JTQLQIEISA-N 0 3 195.310 2.133 10 0 AEAEHN CC[C@@H](C)N(C)Cc1cncn1CC 669492080 487374028 /nfs/dbraw/zinc/37/40/28/487374028.db2.gz DYENYWLVCHUWJE-SNVBAGLBSA-N 0 3 195.310 2.133 10 0 AEAEHN Cc1ccc(CNC(C)C)nc1F 757133507 582458892 /nfs/dbraw/zinc/45/88/92/582458892.db2.gz IWYAYBCVTUQTBQ-UHFFFAOYSA-N 0 3 182.242 2.027 10 0 AEAEHN CCCNCc1ccc(C)c(F)n1 757134752 582459501 /nfs/dbraw/zinc/45/95/01/582459501.db2.gz OORFOAQXYUVZPE-UHFFFAOYSA-N 0 3 182.242 2.029 10 0 AEAEHN CC[C@H]1N[C@@H](c2ccccc2)CCO1 757139038 582460640 /nfs/dbraw/zinc/46/06/40/582460640.db2.gz CZNHAQXRSRQFIB-NEPJUHHUSA-N 0 3 191.274 2.474 10 0 AEAEHN C1CC2(C1)NCC1(CC1)C1(CCC1)O2 757138903 582460379 /nfs/dbraw/zinc/46/03/79/582460379.db2.gz DYXYIGJBXPEONM-UHFFFAOYSA-N 0 3 193.290 2.189 10 0 AEAEHN CC[C@H]1NCCC(CC)(CC)O1 757138626 582460600 /nfs/dbraw/zinc/46/06/00/582460600.db2.gz CSEKCRQOPCBJOW-VIFPVBQESA-N 0 3 171.284 2.291 10 0 AEAEHN CC[C@@H]1N[C@H](c2ccccc2)CCO1 757139041 582460838 /nfs/dbraw/zinc/46/08/38/582460838.db2.gz CZNHAQXRSRQFIB-NWDGAFQWSA-N 0 3 191.274 2.474 10 0 AEAEHN CC1(C)CNC2(CCC2)OC1(C)C 757138148 582460934 /nfs/dbraw/zinc/46/09/34/582460934.db2.gz ALNXULWMWLEBGX-UHFFFAOYSA-N 0 3 183.295 2.291 10 0 AEAEHN CC[C@@H]1NCCC(CC)(CC)O1 757138614 582461045 /nfs/dbraw/zinc/46/10/45/582461045.db2.gz CSEKCRQOPCBJOW-SECBINFHSA-N 0 3 171.284 2.291 10 0 AEAEHN CC1(C)N[C@H](c2ccccc2)CCO1 757139600 582461267 /nfs/dbraw/zinc/46/12/67/582461267.db2.gz HDOSFJHRPMUCFW-NSHDSACASA-N 0 3 191.274 2.474 10 0 AEAEHN CC[C@H]1N[C@H](c2ccccc2)CCO1 757139043 582461284 /nfs/dbraw/zinc/46/12/84/582461284.db2.gz CZNHAQXRSRQFIB-RYUDHWBXSA-N 0 3 191.274 2.474 10 0 AEAEHN CC1(C)N[C@@H](c2ccccc2)CCO1 757139598 582461351 /nfs/dbraw/zinc/46/13/51/582461351.db2.gz HDOSFJHRPMUCFW-LLVKDONJSA-N 0 3 191.274 2.474 10 0 AEAEHN CC[C@@H]1N[C@@H](c2ccccc2)CCO1 757139046 582461489 /nfs/dbraw/zinc/46/14/89/582461489.db2.gz CZNHAQXRSRQFIB-VXGBXAGGSA-N 0 3 191.274 2.474 10 0 AEAEHN CC1(C)CC2(C1)NCC1(CCC1)CO2 757139335 582461492 /nfs/dbraw/zinc/46/14/92/582461492.db2.gz GLXVSQBJUFIVGR-UHFFFAOYSA-N 0 3 195.306 2.293 10 0 AEAEHN CC[C@@H]1NCC2(CC2)[C@@H](C(C)C)O1 757140194 582461826 /nfs/dbraw/zinc/46/18/26/582461826.db2.gz IROWVUCGENFQMD-NXEZZACHSA-N 0 3 183.295 2.147 10 0 AEAEHN CC(C)[C@H]1OC(C)(C)NCC1(C)C 757143459 582462888 /nfs/dbraw/zinc/46/28/88/582462888.db2.gz MWUMIDQJWTULCY-SECBINFHSA-N 0 3 185.311 2.393 10 0 AEAEHN CC(C)[C@@H]1OC(C)(C)NCC1(C)C 757143469 582463357 /nfs/dbraw/zinc/46/33/57/582463357.db2.gz MWUMIDQJWTULCY-VIFPVBQESA-N 0 3 185.311 2.393 10 0 AEAEHN CC1(C)CC2(C1)NCCC(C)(C)O2 757142253 582463374 /nfs/dbraw/zinc/46/33/74/582463374.db2.gz BTNRLSUPJVSCOB-UHFFFAOYSA-N 0 3 183.295 2.291 10 0 AEAEHN CC1(C)NCC2(CC2)C2(CCC2)O1 757145154 582464315 /nfs/dbraw/zinc/46/43/15/582464315.db2.gz OHRXAUQCOROIKC-UHFFFAOYSA-N 0 3 181.279 2.045 10 0 AEAEHN CC[C@H]1NCC2(CCC2)C2(CCC2)O1 757144920 582464374 /nfs/dbraw/zinc/46/43/74/582464374.db2.gz NYLFHQCVLVSQDG-JTQLQIEISA-N 0 3 195.306 2.435 10 0 AEAEHN CCC1(CC)CNC(C)(C)OC1 757145015 582464422 /nfs/dbraw/zinc/46/44/22/582464422.db2.gz HGWRXPYRKFHQDZ-UHFFFAOYSA-N 0 3 171.284 2.149 10 0 AEAEHN CC[C@@H]1NCC2(CCC2)C2(CCC2)O1 757144950 582464668 /nfs/dbraw/zinc/46/46/68/582464668.db2.gz NYLFHQCVLVSQDG-SNVBAGLBSA-N 0 3 195.306 2.435 10 0 AEAEHN CC1(C)NCC(C)(C)C(C)(C)O1 757145003 582464684 /nfs/dbraw/zinc/46/46/84/582464684.db2.gz OBYKMQFTLOBLSW-UHFFFAOYSA-N 0 3 171.284 2.147 10 0 AEAEHN CC(C)[C@H]1OC2(CCC2)NCC12CC2 757145191 582464868 /nfs/dbraw/zinc/46/48/68/582464868.db2.gz OKFONCQHZWLSPM-SNVBAGLBSA-N 0 3 195.306 2.291 10 0 AEAEHN C[C@H]1NCC2(CCC2)C2(CCC2)O1 757145180 582464875 /nfs/dbraw/zinc/46/48/75/582464875.db2.gz OJVUXAHZRMYYCO-VIFPVBQESA-N 0 3 181.279 2.045 10 0 AEAEHN C[C@@H]1NCC2(CCC2)C2(CCC2)O1 757145171 582464932 /nfs/dbraw/zinc/46/49/32/582464932.db2.gz OJVUXAHZRMYYCO-SECBINFHSA-N 0 3 181.279 2.045 10 0 AEAEHN CC(C)[C@@H]1OC2(CCC2)NCC12CC2 757145184 582464960 /nfs/dbraw/zinc/46/49/60/582464960.db2.gz OKFONCQHZWLSPM-JTQLQIEISA-N 0 3 195.306 2.291 10 0 AEAEHN CC1(C)NCC2(CCC2)C2(CCC2)O1 757147403 582465198 /nfs/dbraw/zinc/46/51/98/582465198.db2.gz SDPYRGQOOQHSQU-UHFFFAOYSA-N 0 3 195.306 2.435 10 0 AEAEHN CC[C@@H]1CCNC2(CC(C)(C)C2)O1 757147297 582465210 /nfs/dbraw/zinc/46/52/10/582465210.db2.gz RZMUBDPTTUXPLV-SECBINFHSA-N 0 3 183.295 2.291 10 0 AEAEHN CC[C@H]1CCNC2(CC(C)(C)C2)O1 757147300 582465552 /nfs/dbraw/zinc/46/55/52/582465552.db2.gz RZMUBDPTTUXPLV-VIFPVBQESA-N 0 3 183.295 2.291 10 0 AEAEHN CC[C@@H]1NCC2(CC2)C2(CCC2)O1 757150313 582465906 /nfs/dbraw/zinc/46/59/06/582465906.db2.gz XRJYZNORKPYOAA-SECBINFHSA-N 0 3 181.279 2.045 10 0 AEAEHN CC[C@H]1NCC2(CC2)C2(CCC2)O1 757150318 582466396 /nfs/dbraw/zinc/46/63/96/582466396.db2.gz XRJYZNORKPYOAA-VIFPVBQESA-N 0 3 181.279 2.045 10 0 AEAEHN CC(C)[C@@H]1O[C@@H](C)NCC1(C)C 757151908 582466548 /nfs/dbraw/zinc/46/65/48/582466548.db2.gz RVKUFXLHDFHORK-IUCAKERBSA-N 0 3 171.284 2.003 10 0 AEAEHN CCC1(CC)CNC2(CCC2)OC1 757152020 582466716 /nfs/dbraw/zinc/46/67/16/582466716.db2.gz UREONRJESIJUEI-UHFFFAOYSA-N 0 3 183.295 2.293 10 0 AEAEHN CC(C)[C@H]1O[C@H](C)NCC1(C)C 757151910 582466895 /nfs/dbraw/zinc/46/68/95/582466895.db2.gz RVKUFXLHDFHORK-RKDXNWHRSA-N 0 3 171.284 2.003 10 0 AEAEHN CC(C)[C@@H]1O[C@H](C)NCC1(C)C 757151900 582466949 /nfs/dbraw/zinc/46/69/49/582466949.db2.gz RVKUFXLHDFHORK-BDAKNGLRSA-N 0 3 171.284 2.003 10 0 AEAEHN CC(C)[C@H]1O[C@@H](C)NCC1(C)C 757151903 582467070 /nfs/dbraw/zinc/46/70/70/582467070.db2.gz RVKUFXLHDFHORK-DTWKUNHWSA-N 0 3 171.284 2.003 10 0 AEAEHN CCC[C@@H]1CCNC2(CCC2)O1 757153524 582467310 /nfs/dbraw/zinc/46/73/10/582467310.db2.gz WWUUUJIAXQRZBN-SECBINFHSA-N 0 3 169.268 2.045 10 0 AEAEHN C[C@H]1C[C@@H](C)NC2(CC(C)(C)C2)O1 757154364 582467470 /nfs/dbraw/zinc/46/74/70/582467470.db2.gz ZZCZRDFHIZMWHK-BDAKNGLRSA-N 0 3 183.295 2.290 10 0 AEAEHN C[C@H]1C[C@H](C)OC2(CC(C)(C)C2)N1 757154369 582467651 /nfs/dbraw/zinc/46/76/51/582467651.db2.gz ZZCZRDFHIZMWHK-IUCAKERBSA-N 0 3 183.295 2.290 10 0 AEAEHN CCC[C@H]1CCNC2(CCC2)O1 757153530 582467864 /nfs/dbraw/zinc/46/78/64/582467864.db2.gz WWUUUJIAXQRZBN-VIFPVBQESA-N 0 3 169.268 2.045 10 0 AEAEHN C[C@H]1C[C@@H](C)OC2(CC(C)(C)C2)N1 757154367 582467878 /nfs/dbraw/zinc/46/78/78/582467878.db2.gz ZZCZRDFHIZMWHK-DTWKUNHWSA-N 0 3 183.295 2.290 10 0 AEAEHN CO[C@H](CN)c1cscc1Cl 757167117 582469952 /nfs/dbraw/zinc/46/99/52/582469952.db2.gz PKWFJFFIULEPHE-SSDOTTSWSA-N 0 3 191.683 2.048 10 0 AEAEHN CO[C@@H](CN)c1cscc1Cl 757167126 582469996 /nfs/dbraw/zinc/46/99/96/582469996.db2.gz PKWFJFFIULEPHE-ZETCQYMHSA-N 0 3 191.683 2.048 10 0 AEAEHN N=C(N)c1c(F)cccc1C(F)F 757195145 582472369 /nfs/dbraw/zinc/47/23/69/582472369.db2.gz DSRRSCNSRKHIHW-UHFFFAOYSA-N 0 3 188.152 2.047 10 0 AEAEHN CCCCN1CCOC(C)(C)[C@H]1C 306241340 582485514 /nfs/dbraw/zinc/48/55/14/582485514.db2.gz HVVSGZXGRPZYRS-SNVBAGLBSA-N 0 3 185.311 2.286 10 0 AEAEHN C[C@H]1C[C@H]1CN1CC[C@@H](C)[C@@H](F)C1 306580140 582487316 /nfs/dbraw/zinc/48/73/16/582487316.db2.gz XYXDDKHUXFBNPB-RCWTZXSCSA-N 0 3 185.286 2.322 10 0 AEAEHN C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C[C@H]1F 306580139 582487427 /nfs/dbraw/zinc/48/74/27/582487427.db2.gz XYXDDKHUXFBNPB-CHWFTXMASA-N 0 3 185.286 2.322 10 0 AEAEHN C[C@H]1C[C@H]1CN1CC[C@@H](C)[C@H](F)C1 306580141 582487470 /nfs/dbraw/zinc/48/74/70/582487470.db2.gz XYXDDKHUXFBNPB-VPOLOUISSA-N 0 3 185.286 2.322 10 0 AEAEHN C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C[C@@H]1F 306580142 582487596 /nfs/dbraw/zinc/48/75/96/582487596.db2.gz XYXDDKHUXFBNPB-ZNSHCXBVSA-N 0 3 185.286 2.322 10 0 AEAEHN CCc1ccc(CN(C)CC)o1 393321789 582492527 /nfs/dbraw/zinc/49/25/27/582492527.db2.gz MIFYZHXRUZBIGC-UHFFFAOYSA-N 0 3 167.252 2.294 10 0 AEAEHN CC[C@]1(C2CC2)NCCc2ccoc21 701336778 582493024 /nfs/dbraw/zinc/49/30/24/582493024.db2.gz QVROVAFOAWUFJZ-GFCCVEGCSA-N 0 3 191.274 2.441 10 0 AEAEHN CC[C@@]1(C2CC2)NCCc2ccoc21 701336782 582493433 /nfs/dbraw/zinc/49/34/33/582493433.db2.gz QVROVAFOAWUFJZ-LBPRGKRZSA-N 0 3 191.274 2.441 10 0 AEAEHN CC[C@H](NCC(C)C)c1ccn(C)n1 393690420 582493479 /nfs/dbraw/zinc/49/34/79/582493479.db2.gz QBDWYOASQWTFDN-JTQLQIEISA-N 0 3 195.310 2.117 10 0 AEAEHN C[C@@]1(C2CCC2)NCCc2ccoc21 701402162 582493503 /nfs/dbraw/zinc/49/35/03/582493503.db2.gz MZAMFWBHPSFNTA-LBPRGKRZSA-N 0 3 191.274 2.441 10 0 AEAEHN C[C@]1(C2CCC2)NCCc2ccoc21 701402159 582493547 /nfs/dbraw/zinc/49/35/47/582493547.db2.gz MZAMFWBHPSFNTA-GFCCVEGCSA-N 0 3 191.274 2.441 10 0 AEAEHN CC[C@@H](NCC(C)C)c1ccn(C)n1 393690421 582493719 /nfs/dbraw/zinc/49/37/19/582493719.db2.gz QBDWYOASQWTFDN-SNVBAGLBSA-N 0 3 195.310 2.117 10 0 AEAEHN Cc1n[nH]c(CN2CCC[C@@H]2C)c1C 894021111 582508750 /nfs/dbraw/zinc/50/87/50/582508750.db2.gz LQHVCWBMVPPQET-QMMMGPOBSA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1[nH]nc(CN2CCC[C@@H]2C)c1C 894021111 582508751 /nfs/dbraw/zinc/50/87/51/582508751.db2.gz LQHVCWBMVPPQET-QMMMGPOBSA-N 0 3 193.294 2.011 10 0 AEAEHN CCN(Cc1ocnc1C)CC1CC1 894019360 582508701 /nfs/dbraw/zinc/50/87/01/582508701.db2.gz AYYCIWLZMJVLJW-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN COCCCN(C)Cc1cc(C)co1 893977580 582508565 /nfs/dbraw/zinc/50/85/65/582508565.db2.gz GASMHBVRDIXPPN-UHFFFAOYSA-N 0 3 197.278 2.056 10 0 AEAEHN Cc1[nH]nc(CN(C)C2CCC2)c1C 894033015 582508947 /nfs/dbraw/zinc/50/89/47/582508947.db2.gz WNBSCZHPKGPHGN-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1ncoc1CN1CCCC1(C)C 893987326 582509067 /nfs/dbraw/zinc/50/90/67/582509067.db2.gz UBANWJUFFOBWDS-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1n[nH]c(CN2CCC[C@H]2C)c1C 894021110 582509141 /nfs/dbraw/zinc/50/91/41/582509141.db2.gz LQHVCWBMVPPQET-MRVPVSSYSA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1[nH]nc(CN2CCC[C@H]2C)c1C 894021110 582509143 /nfs/dbraw/zinc/50/91/43/582509143.db2.gz LQHVCWBMVPPQET-MRVPVSSYSA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1[nH]nc(CN2CCC2(C)C)c1C 894032726 582509165 /nfs/dbraw/zinc/50/91/65/582509165.db2.gz SQBOIXNZRZZXTP-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CCN(Cc1n[nH]c(C)c1C)C1CC1 893939420 582509190 /nfs/dbraw/zinc/50/91/90/582509190.db2.gz IRRWMVRJSUBLMU-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CC[C@H](C)CN(C)Cc1ocnc1C 893958914 582509309 /nfs/dbraw/zinc/50/93/09/582509309.db2.gz FJGMGUNJYMZWEP-VIFPVBQESA-N 0 3 196.294 2.461 10 0 AEAEHN CC[C@@H](C)CN(C)Cc1ocnc1C 893958913 582509342 /nfs/dbraw/zinc/50/93/42/582509342.db2.gz FJGMGUNJYMZWEP-SECBINFHSA-N 0 3 196.294 2.461 10 0 AEAEHN Cc1ncoc1CN(C(C)C)C1CC1 893953603 582509408 /nfs/dbraw/zinc/50/94/08/582509408.db2.gz GEJZTGMOKGDXSE-UHFFFAOYSA-N 0 3 194.278 2.356 10 0 AEAEHN Cc1coc(CN(C)CC2CC2)c1 893966603 582509461 /nfs/dbraw/zinc/50/94/61/582509461.db2.gz QKQXOBWIJQSRLM-UHFFFAOYSA-N 0 3 179.263 2.430 10 0 AEAEHN CCN(Cc1ocnc1C)C1CCC1 894038728 582509468 /nfs/dbraw/zinc/50/94/68/582509468.db2.gz FMWQXCKPAJACJA-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN c1cc(CN2CCCCCCC2)on1 726880944 582512183 /nfs/dbraw/zinc/51/21/83/582512183.db2.gz DNYLRVNWSKPJBS-UHFFFAOYSA-N 0 3 194.278 2.441 10 0 AEAEHN CCC1(NCc2ocnc2C)CCC1 894323509 582514033 /nfs/dbraw/zinc/51/40/33/582514033.db2.gz MRGNTMDZTUPNII-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN Cc1[nH]nc(CN2[C@@H](C)C[C@@H]2C)c1C 894600166 582516888 /nfs/dbraw/zinc/51/68/88/582516888.db2.gz FMQLZZRHBVIYTL-YUMQZZPRSA-N 0 3 193.294 2.009 10 0 AEAEHN Cc1[nH]nc(CN2[C@H](C)C[C@H]2C)c1C 894600154 582516954 /nfs/dbraw/zinc/51/69/54/582516954.db2.gz FMQLZZRHBVIYTL-HTQZYQBOSA-N 0 3 193.294 2.009 10 0 AEAEHN Cc1[nH]nc(CN2[C@@H](C)C[C@H]2C)c1C 894600165 582517282 /nfs/dbraw/zinc/51/72/82/582517282.db2.gz FMQLZZRHBVIYTL-OCAPTIKFSA-N 0 3 193.294 2.009 10 0 AEAEHN Cc1coc(CN2CC(C3CC3)C2)c1 894811941 582518697 /nfs/dbraw/zinc/51/86/97/582518697.db2.gz AMLVKFQNCUVBBA-UHFFFAOYSA-N 0 3 191.274 2.430 10 0 AEAEHN Cc1occc1CN1C[C@@H](C)[C@H]1C 894860301 582518868 /nfs/dbraw/zinc/51/88/68/582518868.db2.gz JRKAYNBRQMMZAY-RKDXNWHRSA-N 0 3 179.263 2.428 10 0 AEAEHN CCCCN1CCOC(C)(C)[C@@H]1C 306241337 582519007 /nfs/dbraw/zinc/51/90/07/582519007.db2.gz HVVSGZXGRPZYRS-JTQLQIEISA-N 0 3 185.311 2.286 10 0 AEAEHN Cc1occc1CN1C[C@@H](C)[C@@H]1C 894860298 582519083 /nfs/dbraw/zinc/51/90/83/582519083.db2.gz JRKAYNBRQMMZAY-BDAKNGLRSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1occc1CN1C[C@H](C)[C@H]1C 894860299 582519206 /nfs/dbraw/zinc/51/92/06/582519206.db2.gz JRKAYNBRQMMZAY-DTWKUNHWSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1occc1CN1C[C@H](C)[C@@H]1C 894860300 582519255 /nfs/dbraw/zinc/51/92/55/582519255.db2.gz JRKAYNBRQMMZAY-IUCAKERBSA-N 0 3 179.263 2.428 10 0 AEAEHN FC1(CN[C@@H]2CC23CCCC3)CC1 306181218 582519269 /nfs/dbraw/zinc/51/92/69/582519269.db2.gz TXVYOFXUKHHLJV-SECBINFHSA-N 0 3 183.270 2.411 10 0 AEAEHN Cc1coc(CN2C[C@H](C)[C@@H]2C)c1 894861688 582519593 /nfs/dbraw/zinc/51/95/93/582519593.db2.gz MGOABTIOQDOMHZ-UWVGGRQHSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1coc(CN2C[C@@H](C)[C@@H]2C)c1 894861690 582519908 /nfs/dbraw/zinc/51/99/08/582519908.db2.gz MGOABTIOQDOMHZ-ZJUUUORDSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1coc(CN2C[C@@H](C)[C@H]2C)c1 894861687 582519922 /nfs/dbraw/zinc/51/99/22/582519922.db2.gz MGOABTIOQDOMHZ-NXEZZACHSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1coc(CN2C[C@H](C)[C@H]2C)c1 894861689 582519929 /nfs/dbraw/zinc/51/99/29/582519929.db2.gz MGOABTIOQDOMHZ-VHSXEESVSA-N 0 3 179.263 2.428 10 0 AEAEHN CC[C@@H](C(N)=O)N1CC(C)=C[C@@H](C)C1 334313851 582522724 /nfs/dbraw/zinc/52/27/24/582522724.db2.gz ZGKTVHYQZNENAY-SCZZXKLOSA-N 0 3 196.294 2.198 10 0 AEAEHN CC[C@@H](C(N)=O)N1CC(C)=C[C@H](C)C1 334313854 582522868 /nfs/dbraw/zinc/52/28/68/582522868.db2.gz ZGKTVHYQZNENAY-WPRPVWTQSA-N 0 3 196.294 2.198 10 0 AEAEHN CC[C@H](C(N)=O)N1CC(C)=C[C@@H](C)C1 334313849 582522959 /nfs/dbraw/zinc/52/29/59/582522959.db2.gz ZGKTVHYQZNENAY-PSASIEDQSA-N 0 3 196.294 2.198 10 0 AEAEHN Cc1n[nH]c(CN(C)C(C)(C)C)c1C 895088500 582523183 /nfs/dbraw/zinc/52/31/83/582523183.db2.gz ZXKGRNXBLAFGLP-UHFFFAOYSA-N 0 3 195.310 2.257 10 0 AEAEHN Cc1[nH]nc(CN(C)C(C)(C)C)c1C 895088500 582523186 /nfs/dbraw/zinc/52/31/86/582523186.db2.gz ZXKGRNXBLAFGLP-UHFFFAOYSA-N 0 3 195.310 2.257 10 0 AEAEHN CC[C@H](C(N)=O)N1CC(C)=C[C@H](C)C1 334313853 582523248 /nfs/dbraw/zinc/52/32/48/582523248.db2.gz ZGKTVHYQZNENAY-WCBMZHEXSA-N 0 3 196.294 2.198 10 0 AEAEHN Cc1coc(CN2CC[C@@H]3C[C@@H]3C2)c1 895328349 582527235 /nfs/dbraw/zinc/52/72/35/582527235.db2.gz UYRWIAAEIHWBBJ-GHMZBOCLSA-N 0 3 191.274 2.430 10 0 AEAEHN Cc1coc(CN2CC[C@H]3C[C@H]3C2)c1 895328352 582527357 /nfs/dbraw/zinc/52/73/57/582527357.db2.gz UYRWIAAEIHWBBJ-QWRGUYRKSA-N 0 3 191.274 2.430 10 0 AEAEHN Cc1coc(CN2C[C@H]3C[C@H]3C2)c1 895387341 582528047 /nfs/dbraw/zinc/52/80/47/582528047.db2.gz AZHPNHMVRTZOGG-AOOOYVTPSA-N 0 3 177.247 2.040 10 0 AEAEHN Cc1ncoc1CNC1CC(C)(C)C1 895342009 582527976 /nfs/dbraw/zinc/52/79/76/582527976.db2.gz LIQMHQVFDMIVNF-UHFFFAOYSA-N 0 3 194.278 2.261 10 0 AEAEHN FC[C@H]1CCCN(CC2(F)CC2)C1 895544118 582528895 /nfs/dbraw/zinc/52/88/95/582528895.db2.gz IFLCILOHOPWXGQ-SECBINFHSA-N 0 3 189.249 2.170 10 0 AEAEHN FC[C@@H]1CCCN(CC2(F)CC2)C1 895544121 582529068 /nfs/dbraw/zinc/52/90/68/582529068.db2.gz IFLCILOHOPWXGQ-VIFPVBQESA-N 0 3 189.249 2.170 10 0 AEAEHN FC[C@H]1CCCN(Cc2ccoc2)C1 895545499 582529090 /nfs/dbraw/zinc/52/90/90/582529090.db2.gz FNZSUSHQZJALSB-SNVBAGLBSA-N 0 3 197.253 2.461 10 0 AEAEHN Cc1coc(CN2CC[C@H](CF)C2)c1 895568624 582529282 /nfs/dbraw/zinc/52/92/82/582529282.db2.gz ODDXQILQQCFEDM-SNVBAGLBSA-N 0 3 197.253 2.379 10 0 AEAEHN FC[C@H]1CCN(Cc2ccoc2)C1 895574888 582529292 /nfs/dbraw/zinc/52/92/92/582529292.db2.gz QDIYMQFEUWZXGA-SECBINFHSA-N 0 3 183.226 2.071 10 0 AEAEHN FC[C@@H]1CCCN(Cc2ccoc2)C1 895545498 582529307 /nfs/dbraw/zinc/52/93/07/582529307.db2.gz FNZSUSHQZJALSB-JTQLQIEISA-N 0 3 197.253 2.461 10 0 AEAEHN FC[C@@H]1CCN(Cc2ccoc2)C1 895574891 582529349 /nfs/dbraw/zinc/52/93/49/582529349.db2.gz QDIYMQFEUWZXGA-VIFPVBQESA-N 0 3 183.226 2.071 10 0 AEAEHN Cc1coc(CN2CC[C@@H](CF)C2)c1 895568614 582529395 /nfs/dbraw/zinc/52/93/95/582529395.db2.gz ODDXQILQQCFEDM-JTQLQIEISA-N 0 3 197.253 2.379 10 0 AEAEHN CC(C)CCCCNC1(C)COC1 895758331 582530100 /nfs/dbraw/zinc/53/01/00/582530100.db2.gz GSBLFRCKPXWGEN-UHFFFAOYSA-N 0 3 185.311 2.191 10 0 AEAEHN CC(C)CCN1C[C@@H](C)O[C@H](C)C1 6031222 582539597 /nfs/dbraw/zinc/53/95/97/582539597.db2.gz UCPHBPFIPZAAAJ-GHMZBOCLSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)CCN1C[C@H](C)O[C@@H](C)C1 6037816 582539979 /nfs/dbraw/zinc/53/99/79/582539979.db2.gz UCPHBPFIPZAAAJ-QWRGUYRKSA-N 0 3 185.311 2.142 10 0 AEAEHN Cl/C=C\CN1CCCCC1 146503526 582542935 /nfs/dbraw/zinc/54/29/35/582542935.db2.gz BHUQRWSKYCJKDU-PLNGDYQASA-N 0 3 159.660 2.225 10 0 AEAEHN C(=C1CNC1)c1nc(C2CC2)cs1 899328328 582560441 /nfs/dbraw/zinc/56/04/41/582560441.db2.gz RFSCKXFXUTYMTG-UHFFFAOYSA-N 0 3 192.287 2.007 10 0 AEAEHN FCCCCN1CCC[C@@H](F)C1 902991796 582619878 /nfs/dbraw/zinc/61/98/78/582619878.db2.gz BJMKINPJMVTZJB-SECBINFHSA-N 0 3 177.238 2.170 10 0 AEAEHN FCCCCN1CCC[C@H](F)C1 902991797 582620400 /nfs/dbraw/zinc/62/04/00/582620400.db2.gz BJMKINPJMVTZJB-VIFPVBQESA-N 0 3 177.238 2.170 10 0 AEAEHN CCc1cnc(C2=CCCNC2)s1 905297019 582645892 /nfs/dbraw/zinc/64/58/92/582645892.db2.gz WYKBZTQAHJHWEW-UHFFFAOYSA-N 0 3 194.303 2.082 10 0 AEAEHN CCCCCC[C@H](O)CN1CC[C@H]1C 905973396 582653677 /nfs/dbraw/zinc/65/36/77/582653677.db2.gz IFWCZSCDDBIGPH-NEPJUHHUSA-N 0 3 199.338 2.412 10 0 AEAEHN CCCCCC[C@H](O)CN1CC[C@@H]1C 905973398 582653752 /nfs/dbraw/zinc/65/37/52/582653752.db2.gz IFWCZSCDDBIGPH-RYUDHWBXSA-N 0 3 199.338 2.412 10 0 AEAEHN Fc1cccc(CN2CC[C@@H]3C[C@@H]32)c1 761080604 582668107 /nfs/dbraw/zinc/66/81/07/582668107.db2.gz DUABIYCOTIESQC-PWSUYJOCSA-N 0 3 191.249 2.420 10 0 AEAEHN Fc1cccc(CN2CC[C@H]3C[C@H]32)c1 761080562 582668468 /nfs/dbraw/zinc/66/84/68/582668468.db2.gz DUABIYCOTIESQC-CMPLNLGQSA-N 0 3 191.249 2.420 10 0 AEAEHN Fc1ccccc1CN1CC[C@H]2C[C@H]21 761100072 582668827 /nfs/dbraw/zinc/66/88/27/582668827.db2.gz XYVRITLVOMVRGO-JOYOIKCWSA-N 0 3 191.249 2.420 10 0 AEAEHN Fc1ccccc1CN1CC[C@@H]2C[C@@H]21 761100076 582669345 /nfs/dbraw/zinc/66/93/45/582669345.db2.gz XYVRITLVOMVRGO-SKDRFNHKSA-N 0 3 191.249 2.420 10 0 AEAEHN CCCN(C)C/C=C\Cl 207809665 582712685 /nfs/dbraw/zinc/71/26/85/582712685.db2.gz BWUQCQYQENOGSG-PLNGDYQASA-N 0 3 147.649 2.081 10 0 AEAEHN CO[C@H](C)CN(C)Cc1ccccc1 198664739 582714662 /nfs/dbraw/zinc/71/46/62/582714662.db2.gz SZRJPJVQRAKDAM-LLVKDONJSA-N 0 3 193.290 2.153 10 0 AEAEHN COC1CN(C[C@H]2CCC[C@H](C)C2)C1 839131605 582726082 /nfs/dbraw/zinc/72/60/82/582726082.db2.gz XCYUYFAWHXUREI-QWRGUYRKSA-N 0 3 197.322 2.143 10 0 AEAEHN COC1CN(C[C@@H]2CCC[C@H](C)C2)C1 839131606 582726133 /nfs/dbraw/zinc/72/61/33/582726133.db2.gz XCYUYFAWHXUREI-WDEREUQCSA-N 0 3 197.322 2.143 10 0 AEAEHN COC1CN(C[C@@H]2CCC[C@@H](C)C2)C1 839131601 582726248 /nfs/dbraw/zinc/72/62/48/582726248.db2.gz XCYUYFAWHXUREI-GHMZBOCLSA-N 0 3 197.322 2.143 10 0 AEAEHN COC1CN(C[C@H]2CCC[C@@H](C)C2)C1 839131603 582726563 /nfs/dbraw/zinc/72/65/63/582726563.db2.gz XCYUYFAWHXUREI-MNOVXSKESA-N 0 3 197.322 2.143 10 0 AEAEHN FCCN1CC[C@@H](c2ccccc2)C1 746502594 582747032 /nfs/dbraw/zinc/74/70/32/582747032.db2.gz GLKQZTJJWNGTOV-GFCCVEGCSA-N 0 3 193.265 2.445 10 0 AEAEHN FCCN1CC[C@H](c2ccccc2)C1 746502596 582747230 /nfs/dbraw/zinc/74/72/30/582747230.db2.gz GLKQZTJJWNGTOV-LBPRGKRZSA-N 0 3 193.265 2.445 10 0 AEAEHN CC(C)(C)C(=O)CCN1CC=CCC1 753745342 582774372 /nfs/dbraw/zinc/77/43/72/582774372.db2.gz GLEGUWWYWYOBIW-UHFFFAOYSA-N 0 3 195.306 2.254 10 0 AEAEHN CCN(CCF)C1CC(C)(C)C1 839663720 582795440 /nfs/dbraw/zinc/79/54/40/582795440.db2.gz JQJJWRODNVUVRR-UHFFFAOYSA-N 0 3 173.275 2.466 10 0 AEAEHN FCCN1CC[C@H](C2CCC2)C1 839678875 582796662 /nfs/dbraw/zinc/79/66/62/582796662.db2.gz AECZUNVCJOTWDM-JTQLQIEISA-N 0 3 171.259 2.078 10 0 AEAEHN FCCN1CC[C@@H](C2CCC2)C1 839678876 582796846 /nfs/dbraw/zinc/79/68/46/582796846.db2.gz AECZUNVCJOTWDM-SNVBAGLBSA-N 0 3 171.259 2.078 10 0 AEAEHN CC(C)CCCN1CCN(C)[C@@H](C)C1 759397965 582803316 /nfs/dbraw/zinc/80/33/16/582803316.db2.gz HKCPIALMLLVCEP-LBPRGKRZSA-N 0 3 198.354 2.059 10 0 AEAEHN CC(C)CCCN1CCN(C)[C@H](C)C1 759397955 582803338 /nfs/dbraw/zinc/80/33/38/582803338.db2.gz HKCPIALMLLVCEP-GFCCVEGCSA-N 0 3 198.354 2.059 10 0 AEAEHN C[C@H](c1ccccn1)N1CC[C@@H]2C[C@@H]21 761091897 582808736 /nfs/dbraw/zinc/80/87/36/582808736.db2.gz MFTACARLXCHOEQ-FOGDFJRCSA-N 0 3 188.274 2.237 10 0 AEAEHN C[C@H](c1ccccn1)N1CC[C@H]2C[C@H]21 761091898 582809367 /nfs/dbraw/zinc/80/93/67/582809367.db2.gz MFTACARLXCHOEQ-JFGNBEQYSA-N 0 3 188.274 2.237 10 0 AEAEHN C[C@H](c1cccnc1)N1CC[C@@H]2C[C@@H]21 761092190 582810240 /nfs/dbraw/zinc/81/02/40/582810240.db2.gz MGLVCVXTWQSNFI-FOGDFJRCSA-N 0 3 188.274 2.237 10 0 AEAEHN C[C@H](c1cccnc1)N1CC[C@H]2C[C@H]21 761092193 582810278 /nfs/dbraw/zinc/81/02/78/582810278.db2.gz MGLVCVXTWQSNFI-JFGNBEQYSA-N 0 3 188.274 2.237 10 0 AEAEHN Fc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1 761093076 582810439 /nfs/dbraw/zinc/81/04/39/582810439.db2.gz LORWIHFQFKYWPR-PWSUYJOCSA-N 0 3 191.249 2.420 10 0 AEAEHN Fc1ccc(CN2CC[C@H]3C[C@H]32)cc1 761093073 582810458 /nfs/dbraw/zinc/81/04/58/582810458.db2.gz LORWIHFQFKYWPR-CMPLNLGQSA-N 0 3 191.249 2.420 10 0 AEAEHN C[C@H](c1ccncc1)N1CC[C@H]2C[C@H]21 761095456 582810519 /nfs/dbraw/zinc/81/05/19/582810519.db2.gz PNKFZORDWMYUCF-ADEWGFFLSA-N 0 3 188.274 2.237 10 0 AEAEHN C[C@H](c1ccncc1)N1CC[C@@H]2C[C@@H]21 761095458 582810605 /nfs/dbraw/zinc/81/06/05/582810605.db2.gz PNKFZORDWMYUCF-JLLWLGSASA-N 0 3 188.274 2.237 10 0 AEAEHN CCC[C@H](C)N(C)Cc1cncnc1 768340038 582834727 /nfs/dbraw/zinc/83/47/27/582834727.db2.gz YZXVKJZUGOWQPA-JTQLQIEISA-N 0 3 193.294 2.097 10 0 AEAEHN CCC[C@@H](C)N(C)Cc1cncnc1 768340039 582834749 /nfs/dbraw/zinc/83/47/49/582834749.db2.gz YZXVKJZUGOWQPA-SNVBAGLBSA-N 0 3 193.294 2.097 10 0 AEAEHN CCCN(CCC)Cc1cncnc1 768136699 582834828 /nfs/dbraw/zinc/83/48/28/582834828.db2.gz BZIWYICVVOUBOH-UHFFFAOYSA-N 0 3 193.294 2.099 10 0 AEAEHN CCCCN(CC)Cc1cncnc1 768145473 582835157 /nfs/dbraw/zinc/83/51/57/582835157.db2.gz ZPAOIZPBVYVBBQ-UHFFFAOYSA-N 0 3 193.294 2.099 10 0 AEAEHN CC1(C)CCN1Cc1cccc(O)c1 769445144 582839076 /nfs/dbraw/zinc/83/90/76/582839076.db2.gz DCFCONCGGLFTJR-UHFFFAOYSA-N 0 3 191.274 2.377 10 0 AEAEHN CCC(C)(C)N(C)Cc1cncnc1 769379882 582839346 /nfs/dbraw/zinc/83/93/46/582839346.db2.gz BJQXTGMCZYWIRZ-UHFFFAOYSA-N 0 3 193.294 2.097 10 0 AEAEHN Cc1ncccc1CN1CCC1(C)C 769446381 582839690 /nfs/dbraw/zinc/83/96/90/582839690.db2.gz NETFCVXOEMCVAK-UHFFFAOYSA-N 0 3 190.290 2.374 10 0 AEAEHN CC1(C)[C@H]2CN(Cc3ccoc3)C[C@H]21 769487713 582839966 /nfs/dbraw/zinc/83/99/66/582839966.db2.gz LBQACHPQNPMWHB-PHIMTYICSA-N 0 3 191.274 2.367 10 0 AEAEHN CC[C@@H]1CN([C@@H](C)C2CC2)C[C@@H](C)O1 777964073 582868627 /nfs/dbraw/zinc/86/86/27/582868627.db2.gz NQXBZVOPGFOJMO-JFGNBEQYSA-N 0 3 197.322 2.284 10 0 AEAEHN CC[C@@H]1CN([C@H](C)C2CC2)C[C@@H](C)O1 777964063 582868861 /nfs/dbraw/zinc/86/88/61/582868861.db2.gz NQXBZVOPGFOJMO-CKYFFXLPSA-N 0 3 197.322 2.284 10 0 AEAEHN CC[C@@H]1CN([C@@H](C)C2CC2)C[C@H](C)O1 777964071 582868979 /nfs/dbraw/zinc/86/89/79/582868979.db2.gz NQXBZVOPGFOJMO-JBLDHEPKSA-N 0 3 197.322 2.284 10 0 AEAEHN CC[C@@H]1CN([C@H](C)C2CC2)C[C@H](C)O1 777964067 582868982 /nfs/dbraw/zinc/86/89/82/582868982.db2.gz NQXBZVOPGFOJMO-HOSYDEDBSA-N 0 3 197.322 2.284 10 0 AEAEHN CCCN(CC)Cc1ccc(F)nc1 779147853 582871869 /nfs/dbraw/zinc/87/18/69/582871869.db2.gz CPUGQNASZKAQDU-UHFFFAOYSA-N 0 3 196.269 2.453 10 0 AEAEHN CN(Cc1ccc(F)nc1)CC1CC1 779153299 582871886 /nfs/dbraw/zinc/87/18/86/582871886.db2.gz GHPBIAGIHSHZDD-UHFFFAOYSA-N 0 3 194.253 2.063 10 0 AEAEHN CCC[C@H]1CN([C@@H](C)C2CC2)CCO1 782182212 582882323 /nfs/dbraw/zinc/88/23/23/582882323.db2.gz VEMDFAABBSCGEG-JQWIXIFHSA-N 0 3 197.322 2.286 10 0 AEAEHN CCC[C@@H]1CN([C@H](C)C2CC2)CCO1 782182215 582882643 /nfs/dbraw/zinc/88/26/43/582882643.db2.gz VEMDFAABBSCGEG-ZYHUDNBSSA-N 0 3 197.322 2.286 10 0 AEAEHN CCC[C@H]1CN([C@H](C)C2CC2)CCO1 782182213 582882698 /nfs/dbraw/zinc/88/26/98/582882698.db2.gz VEMDFAABBSCGEG-PWSUYJOCSA-N 0 3 197.322 2.286 10 0 AEAEHN CCC[C@@H]1CN([C@@H](C)C2CC2)CCO1 782182210 582882743 /nfs/dbraw/zinc/88/27/43/582882743.db2.gz VEMDFAABBSCGEG-CMPLNLGQSA-N 0 3 197.322 2.286 10 0 AEAEHN CC(C)[C@H]1CN([C@@H](C)C2CC2)CCO1 782190753 582883265 /nfs/dbraw/zinc/88/32/65/582883265.db2.gz LYEYQLKOBSLMQZ-CMPLNLGQSA-N 0 3 197.322 2.142 10 0 AEAEHN CC(C)[C@@H]1CN([C@@H](C)C2CC2)CCO1 782190754 582883328 /nfs/dbraw/zinc/88/33/28/582883328.db2.gz LYEYQLKOBSLMQZ-JQWIXIFHSA-N 0 3 197.322 2.142 10 0 AEAEHN C[C@@H](C1CC1)N1CCOC2(CCC2)C1 782189970 582883364 /nfs/dbraw/zinc/88/33/64/582883364.db2.gz SFRAUVRXOGKDMM-JTQLQIEISA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@H](C1CC1)N1CCOC2(CCC2)C1 782189971 582883386 /nfs/dbraw/zinc/88/33/86/582883386.db2.gz SFRAUVRXOGKDMM-SNVBAGLBSA-N 0 3 195.306 2.040 10 0 AEAEHN CC(C)[C@H]1CN([C@H](C)C2CC2)CCO1 782190756 582883756 /nfs/dbraw/zinc/88/37/56/582883756.db2.gz LYEYQLKOBSLMQZ-ZYHUDNBSSA-N 0 3 197.322 2.142 10 0 AEAEHN CC(C)[C@@H]1CN([C@H](C)C2CC2)CCO1 782190755 582883825 /nfs/dbraw/zinc/88/38/25/582883825.db2.gz LYEYQLKOBSLMQZ-PWSUYJOCSA-N 0 3 197.322 2.142 10 0 AEAEHN Cc1oncc1CN1CCCC1(C)C 782488150 582884478 /nfs/dbraw/zinc/88/44/78/582884478.db2.gz ZAIUOBXZZIJKBF-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1nc(F)ccc1CN(C)C(C)C 787048461 582897641 /nfs/dbraw/zinc/89/76/41/582897641.db2.gz FZQBIQVVWMSJLZ-UHFFFAOYSA-N 0 3 196.269 2.369 10 0 AEAEHN CCN(CC)Cc1ccc(F)nc1C 787051607 582898357 /nfs/dbraw/zinc/89/83/57/582898357.db2.gz ZQDQBZAIUOXTMR-UHFFFAOYSA-N 0 3 196.269 2.371 10 0 AEAEHN CCCN(C)Cc1ccc(F)nc1C 787078882 582898384 /nfs/dbraw/zinc/89/83/84/582898384.db2.gz GRNFEWVZKAOJMA-UHFFFAOYSA-N 0 3 196.269 2.371 10 0 AEAEHN CN(Cc1ccc(F)cn1)CC1CC1 787172621 582899386 /nfs/dbraw/zinc/89/93/86/582899386.db2.gz YBMLNLYMPKMLDS-UHFFFAOYSA-N 0 3 194.253 2.063 10 0 AEAEHN CCN(Cc1ccnc(C)n1)C(C)C 796453293 582924624 /nfs/dbraw/zinc/92/46/24/582924624.db2.gz GCUYIHSOBMQJML-UHFFFAOYSA-N 0 3 193.294 2.015 10 0 AEAEHN Nc1ccnc(C2=CCCCC2)c1N 757569623 582940305 /nfs/dbraw/zinc/94/03/05/582940305.db2.gz YMSKYAIXYPCGGA-UHFFFAOYSA-N 0 3 189.262 2.203 10 0 AEAEHN CC[C@@H]1NCC2(CC2)[C@H](C(C)C)O1 757140238 582943252 /nfs/dbraw/zinc/94/32/52/582943252.db2.gz IROWVUCGENFQMD-ZJUUUORDSA-N 0 3 183.295 2.147 10 0 AEAEHN CC1(C)CNC2(CC(C)(C)C2)OC1 757139633 582943437 /nfs/dbraw/zinc/94/34/37/582943437.db2.gz HHOSVIIYVJXJBB-UHFFFAOYSA-N 0 3 183.295 2.149 10 0 AEAEHN CC1(C)CC2(C1)NCCC1(CCC1)O2 757153024 582943463 /nfs/dbraw/zinc/94/34/63/582943463.db2.gz VQFUSSKKHNWCNP-UHFFFAOYSA-N 0 3 195.306 2.435 10 0 AEAEHN CC[C@H]1NCC2(CC2)[C@@H](C(C)C)O1 757140222 582943827 /nfs/dbraw/zinc/94/38/27/582943827.db2.gz IROWVUCGENFQMD-VHSXEESVSA-N 0 3 183.295 2.147 10 0 AEAEHN CC[C@H]1NCC2(CC2)[C@H](C(C)C)O1 757140200 582943951 /nfs/dbraw/zinc/94/39/51/582943951.db2.gz IROWVUCGENFQMD-UWVGGRQHSA-N 0 3 183.295 2.147 10 0 AEAEHN C[C@H]1CC(C)(C)OC2(CCC2)N1 757154214 582944695 /nfs/dbraw/zinc/94/46/95/582944695.db2.gz ZMQGNQQMRHOBOK-QMMMGPOBSA-N 0 3 169.268 2.044 10 0 AEAEHN C1CCC2(C1)CNC1(CCC1)OC2 757145685 582944811 /nfs/dbraw/zinc/94/48/11/582944811.db2.gz QDRIFRUWKNIIAE-UHFFFAOYSA-N 0 3 181.279 2.047 10 0 AEAEHN COCC(C)(C)N(C)Cc1ccoc1 814178178 582976244 /nfs/dbraw/zinc/97/62/44/582976244.db2.gz FTLKRNZUJUGULT-UHFFFAOYSA-N 0 3 197.278 2.136 10 0 AEAEHN Cc1ccc(CN2C[C@H](C)[C@H]2C)o1 816646765 582986694 /nfs/dbraw/zinc/98/66/94/582986694.db2.gz ITEFAWUIEPMDIO-WCBMZHEXSA-N 0 3 179.263 2.428 10 0 AEAEHN C[C@@H]1CN(Cc2ccoc2)[C@@H]1C 816649419 582986710 /nfs/dbraw/zinc/98/67/10/582986710.db2.gz YWGNFAGVAUSBOX-RKDXNWHRSA-N 0 3 165.236 2.120 10 0 AEAEHN Cc1ccc(CN2C[C@@H](C)[C@@H]2C)o1 816646764 582986745 /nfs/dbraw/zinc/98/67/45/582986745.db2.gz ITEFAWUIEPMDIO-SCZZXKLOSA-N 0 3 179.263 2.428 10 0 AEAEHN C[C@H]1CN(Cc2ccco2)[C@H]1C 816646427 582986956 /nfs/dbraw/zinc/98/69/56/582986956.db2.gz DEHZWGVZVPFAKA-IUCAKERBSA-N 0 3 165.236 2.120 10 0 AEAEHN C[C@@H]1CN(Cc2ccco2)[C@@H]1C 816646428 582987061 /nfs/dbraw/zinc/98/70/61/582987061.db2.gz DEHZWGVZVPFAKA-RKDXNWHRSA-N 0 3 165.236 2.120 10 0 AEAEHN C[C@H]1CN(Cc2ccco2)[C@@H]1C 816646426 582987112 /nfs/dbraw/zinc/98/71/12/582987112.db2.gz DEHZWGVZVPFAKA-DTWKUNHWSA-N 0 3 165.236 2.120 10 0 AEAEHN C[C@H]1[C@H](C)CN1Cc1ccco1 816646425 582987466 /nfs/dbraw/zinc/98/74/66/582987466.db2.gz DEHZWGVZVPFAKA-BDAKNGLRSA-N 0 3 165.236 2.120 10 0 AEAEHN Cc1ccc(CN2C[C@@H](C)[C@H]2C)o1 816646763 582987519 /nfs/dbraw/zinc/98/75/19/582987519.db2.gz ITEFAWUIEPMDIO-PSASIEDQSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1ccc(CN2C[C@H](C)[C@@H]2C)o1 816646766 582987688 /nfs/dbraw/zinc/98/76/88/582987688.db2.gz ITEFAWUIEPMDIO-WPRPVWTQSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1ccoc1CN1C[C@H](C)[C@@H]1C 816648826 582988091 /nfs/dbraw/zinc/98/80/91/582988091.db2.gz PQSLSFWBJGKEFU-UWVGGRQHSA-N 0 3 179.263 2.428 10 0 AEAEHN C[C@H]1CN(Cc2cccc(O)c2)[C@@H]1C 816649016 582988130 /nfs/dbraw/zinc/98/81/30/582988130.db2.gz RXHDFHAATYNNNI-VHSXEESVSA-N 0 3 191.274 2.232 10 0 AEAEHN C[C@H]1CN(Cc2ccoc2)[C@H]1C 816649418 582988367 /nfs/dbraw/zinc/98/83/67/582988367.db2.gz YWGNFAGVAUSBOX-IUCAKERBSA-N 0 3 165.236 2.120 10 0 AEAEHN Cc1ccoc1CN1C[C@H](C)[C@H]1C 816648827 582988398 /nfs/dbraw/zinc/98/83/98/582988398.db2.gz PQSLSFWBJGKEFU-VHSXEESVSA-N 0 3 179.263 2.428 10 0 AEAEHN C[C@H]1[C@H](C)CN1Cc1ccoc1 816649416 582988426 /nfs/dbraw/zinc/98/84/26/582988426.db2.gz YWGNFAGVAUSBOX-BDAKNGLRSA-N 0 3 165.236 2.120 10 0 AEAEHN C[C@H]1CN(Cc2cccc(O)c2)[C@H]1C 816649015 582988538 /nfs/dbraw/zinc/98/85/38/582988538.db2.gz RXHDFHAATYNNNI-UWVGGRQHSA-N 0 3 191.274 2.232 10 0 AEAEHN Cc1ccoc1CN1C[C@@H](C)[C@@H]1C 816648828 582988548 /nfs/dbraw/zinc/98/85/48/582988548.db2.gz PQSLSFWBJGKEFU-ZJUUUORDSA-N 0 3 179.263 2.428 10 0 AEAEHN Cc1ccoc1CN1C[C@@H](C)[C@H]1C 816648825 582988581 /nfs/dbraw/zinc/98/85/81/582988581.db2.gz PQSLSFWBJGKEFU-NXEZZACHSA-N 0 3 179.263 2.428 10 0 AEAEHN C[C@H]1[C@H](C)CN1Cc1cccc(O)c1 816649017 582988764 /nfs/dbraw/zinc/98/87/64/582988764.db2.gz RXHDFHAATYNNNI-ZJUUUORDSA-N 0 3 191.274 2.232 10 0 AEAEHN C[C@@H]1CN(Cc2cccc(O)c2)[C@@H]1C 816649014 582988777 /nfs/dbraw/zinc/98/87/77/582988777.db2.gz RXHDFHAATYNNNI-NXEZZACHSA-N 0 3 191.274 2.232 10 0 AEAEHN C[C@H]1CN(Cc2ccoc2)[C@@H]1C 816649417 582988820 /nfs/dbraw/zinc/98/88/20/582988820.db2.gz YWGNFAGVAUSBOX-DTWKUNHWSA-N 0 3 165.236 2.120 10 0 AEAEHN Cc1cnccc1CN1CCC1(C)C 823453729 583041732 /nfs/dbraw/zinc/04/17/32/583041732.db2.gz YNLGZVOWVMNCIF-UHFFFAOYSA-N 0 3 190.290 2.374 10 0 AEAEHN CC[C@H](NC(CF)CF)C(C)C 824554462 583044447 /nfs/dbraw/zinc/04/44/47/583044447.db2.gz HAFKDJRVRQUEJN-VIFPVBQESA-N 0 3 179.254 2.318 10 0 AEAEHN CC[C@@H](NC(CF)CF)C(C)C 824554461 583044751 /nfs/dbraw/zinc/04/47/51/583044751.db2.gz HAFKDJRVRQUEJN-SECBINFHSA-N 0 3 179.254 2.318 10 0 AEAEHN CS[C@@H]1CCN(Cc2ccoc2)C1 824683311 583045633 /nfs/dbraw/zinc/04/56/33/583045633.db2.gz DOCFXMVXTQJQGK-SNVBAGLBSA-N 0 3 197.303 2.217 10 0 AEAEHN CS[C@H]1CCN(Cc2ccoc2)C1 824683310 583045741 /nfs/dbraw/zinc/04/57/41/583045741.db2.gz DOCFXMVXTQJQGK-JTQLQIEISA-N 0 3 197.303 2.217 10 0 AEAEHN c1cc(CN2CC[C@@H]2C2CC2)co1 824650099 583045795 /nfs/dbraw/zinc/04/57/95/583045795.db2.gz IFUDSHXJBDKOHT-LLVKDONJSA-N 0 3 177.247 2.264 10 0 AEAEHN c1cc(CN2CC[C@H]2C2CC2)co1 824650100 583046009 /nfs/dbraw/zinc/04/60/09/583046009.db2.gz IFUDSHXJBDKOHT-NSHDSACASA-N 0 3 177.247 2.264 10 0 AEAEHN c1cc(CN2CC[C@@H]3C[C@@H]3C2)co1 827506932 583055069 /nfs/dbraw/zinc/05/50/69/583055069.db2.gz OSZTWNCVZLQDQH-GHMZBOCLSA-N 0 3 177.247 2.121 10 0 AEAEHN c1cc(CN2CC[C@H]3C[C@H]3C2)co1 827506934 583055622 /nfs/dbraw/zinc/05/56/22/583055622.db2.gz OSZTWNCVZLQDQH-QWRGUYRKSA-N 0 3 177.247 2.121 10 0 AEAEHN CC(C)CC(=O)CCN1CC=CCC1 828198968 583056752 /nfs/dbraw/zinc/05/67/52/583056752.db2.gz RBGRSTAOWGMERK-UHFFFAOYSA-N 0 3 195.306 2.254 10 0 AEAEHN CCCCCCN(C1CC1)C1COC1 830227287 583065988 /nfs/dbraw/zinc/06/59/88/583065988.db2.gz GKVBDHGWBCAPHC-UHFFFAOYSA-N 0 3 197.322 2.430 10 0 AEAEHN C[C@@]12CN(CCF)C[C@H]1[C@@H]1C=C[C@H]2C1 831004880 583071577 /nfs/dbraw/zinc/07/15/77/583071577.db2.gz CXNJSHGUSALNOQ-RHYQMDGZSA-N 0 3 195.281 2.100 10 0 AEAEHN C[C@@]12CN(CCF)C[C@@H]1[C@@H]1C=C[C@H]2C1 831004877 583071757 /nfs/dbraw/zinc/07/17/57/583071757.db2.gz CXNJSHGUSALNOQ-KXNHARMFSA-N 0 3 195.281 2.100 10 0 AEAEHN CC[C@@H]1CC[C@H](C)N(CCF)C1 832468172 583078671 /nfs/dbraw/zinc/07/86/71/583078671.db2.gz FWJBQEXCORPJEQ-VHSXEESVSA-N 0 3 173.275 2.466 10 0 AEAEHN FCCN1CCC[C@]2(C1)CC2(F)F 844434854 583141741 /nfs/dbraw/zinc/14/17/41/583141741.db2.gz CRGJNUZKEQAGEQ-MRVPVSSYSA-N 0 3 193.212 2.077 10 0 AEAEHN FCCN1CCC[C@@]2(C1)CC2(F)F 844434855 583141780 /nfs/dbraw/zinc/14/17/80/583141780.db2.gz CRGJNUZKEQAGEQ-QMMMGPOBSA-N 0 3 193.212 2.077 10 0 AEAEHN FC1(F)[C@@H]2CN(CC3=CCCC3)C[C@@H]21 844459874 583142923 /nfs/dbraw/zinc/14/29/23/583142923.db2.gz DAISLWRWVKHRJC-AOOOYVTPSA-N 0 3 199.244 2.294 10 0 AEAEHN CC(C)NCc1noc2ccccc12 848574153 583170253 /nfs/dbraw/zinc/17/02/53/583170253.db2.gz AKLJKVYDGCUMBX-UHFFFAOYSA-N 0 3 190.246 2.326 10 0 AEAEHN CCCN(Cc1cncnc1)C(C)C 848924049 583171195 /nfs/dbraw/zinc/17/11/95/583171195.db2.gz VRWWAVDKDXIIPH-UHFFFAOYSA-N 0 3 193.294 2.097 10 0 AEAEHN c1cc(CN[C@H]2[C@H]3CCC[C@H]32)co1 850392057 583185642 /nfs/dbraw/zinc/18/56/42/583185642.db2.gz FWGLXJGZMCYKDI-JGPRNRPPSA-N 0 3 177.247 2.168 10 0 AEAEHN C[C@@H]1CCCCN1CCOC(F)F 851720164 583190175 /nfs/dbraw/zinc/19/01/75/583190175.db2.gz BMBAQAQGJUGOKN-MRVPVSSYSA-N 0 3 193.237 2.100 10 0 AEAEHN C[C@H]1CCCCN1CCOC(F)F 851720165 583190191 /nfs/dbraw/zinc/19/01/91/583190191.db2.gz BMBAQAQGJUGOKN-QMMMGPOBSA-N 0 3 193.237 2.100 10 0 AEAEHN FC(F)OCCN1CCCCCC1 851721833 583190564 /nfs/dbraw/zinc/19/05/64/583190564.db2.gz RDEHNUCDJUEGCG-UHFFFAOYSA-N 0 3 193.237 2.102 10 0 AEAEHN CCN(Cc1cccc(F)n1)C(C)C 851732681 583192023 /nfs/dbraw/zinc/19/20/23/583192023.db2.gz AMUFBGBWGZDCGW-UHFFFAOYSA-N 0 3 196.269 2.451 10 0 AEAEHN CC(C)CN(C)Cc1cccc(F)n1 851738410 583192078 /nfs/dbraw/zinc/19/20/78/583192078.db2.gz FYRJBXNBENFLFM-UHFFFAOYSA-N 0 3 196.269 2.309 10 0 AEAEHN c1cc(CN2CC[C@H]3C[C@H]32)cs1 851878071 583198930 /nfs/dbraw/zinc/19/89/30/583198930.db2.gz ZWJLOHOSCCSIOR-VHSXEESVSA-N 0 3 179.288 2.342 10 0 AEAEHN c1cc(CN2CC[C@@H]3C[C@@H]32)cs1 851878072 583199344 /nfs/dbraw/zinc/19/93/44/583199344.db2.gz ZWJLOHOSCCSIOR-ZJUUUORDSA-N 0 3 179.288 2.342 10 0 AEAEHN CCCCCN(CCF)CCOC 852481354 583206950 /nfs/dbraw/zinc/20/69/50/583206950.db2.gz MAQOSIHMCSRALJ-UHFFFAOYSA-N 0 3 191.290 2.095 10 0 AEAEHN FCCN1CCC(C2CCC2)CC1 852407948 583207667 /nfs/dbraw/zinc/20/76/67/583207667.db2.gz KDAKCHNSAKNOJH-UHFFFAOYSA-N 0 3 185.286 2.468 10 0 AEAEHN CCC[C@H](C)N(CCF)CCOC 852480224 583207696 /nfs/dbraw/zinc/20/76/96/583207696.db2.gz RAIRXCHHITXOKK-JTQLQIEISA-N 0 3 191.290 2.093 10 0 AEAEHN CCC[C@@H](C)N(CCF)CCOC 852480225 583207899 /nfs/dbraw/zinc/20/78/99/583207899.db2.gz RAIRXCHHITXOKK-SNVBAGLBSA-N 0 3 191.290 2.093 10 0 AEAEHN FCC[C@H]1CCCN(CCF)C1 852532031 583209124 /nfs/dbraw/zinc/20/91/24/583209124.db2.gz BGZJDOHTELARJR-SECBINFHSA-N 0 3 177.238 2.028 10 0 AEAEHN FCC[C@@H]1CCCN(CCF)C1 852532032 583209162 /nfs/dbraw/zinc/20/91/62/583209162.db2.gz BGZJDOHTELARJR-VIFPVBQESA-N 0 3 177.238 2.028 10 0 AEAEHN FCCN1CCC[C@H](C2CCC2)C1 852673375 583209394 /nfs/dbraw/zinc/20/93/94/583209394.db2.gz IEWVBPCZIGTOFT-NSHDSACASA-N 0 3 185.286 2.468 10 0 AEAEHN FCCN1CCC[C@@H](C2CCC2)C1 852673374 583209814 /nfs/dbraw/zinc/20/98/14/583209814.db2.gz IEWVBPCZIGTOFT-LLVKDONJSA-N 0 3 185.286 2.468 10 0 AEAEHN FCCN(CCC1CC1)CC1CC1 852716756 583210999 /nfs/dbraw/zinc/21/09/99/583210999.db2.gz RSEPHVMLJJVQIS-UHFFFAOYSA-N 0 3 185.286 2.468 10 0 AEAEHN CC12CC(CN1C/C=C/Cl)C2 852785253 583212808 /nfs/dbraw/zinc/21/28/08/583212808.db2.gz CZMZTNVIFIANRZ-NSCUHMNNSA-N 0 3 171.671 2.223 10 0 AEAEHN CC12CC(CN1C/C=C\Cl)C2 852785252 583212912 /nfs/dbraw/zinc/21/29/12/583212912.db2.gz CZMZTNVIFIANRZ-IHWYPQMZSA-N 0 3 171.671 2.223 10 0 AEAEHN CC(C)=CCNCc1ccnc(F)c1 858159806 583268094 /nfs/dbraw/zinc/26/80/94/583268094.db2.gz GPICMSTUPCLEOB-UHFFFAOYSA-N 0 3 194.253 2.277 10 0 AEAEHN CCC1(NCc2ccnc(F)c2)CC1 858171191 583268189 /nfs/dbraw/zinc/26/81/89/583268189.db2.gz NGVCRGLERDNBJJ-UHFFFAOYSA-N 0 3 194.253 2.253 10 0 AEAEHN CC/C=C\CNCc1ccnc(F)c1 858173072 583268269 /nfs/dbraw/zinc/26/82/69/583268269.db2.gz PUTIMPZFXZRVDN-ARJAWSKDSA-N 0 3 194.253 2.277 10 0 AEAEHN Fc1cc(CNC2CC=CC2)ccn1 858150433 583268491 /nfs/dbraw/zinc/26/84/91/583268491.db2.gz WESQFRVRGMRZFE-UHFFFAOYSA-N 0 3 192.237 2.029 10 0 AEAEHN CC1(C)C[C@@H]1NCc1ccnc(F)c1 858176753 583268503 /nfs/dbraw/zinc/26/85/03/583268503.db2.gz GUWUXRBCFIDAJY-VIFPVBQESA-N 0 3 194.253 2.109 10 0 AEAEHN CC/C=C/CNCc1ccnc(F)c1 858173073 583269093 /nfs/dbraw/zinc/26/90/93/583269093.db2.gz PUTIMPZFXZRVDN-ONEGZZNKSA-N 0 3 194.253 2.277 10 0 AEAEHN C/C=C\CNCc1ccc(Cl)nc1 858290564 583269600 /nfs/dbraw/zinc/26/96/00/583269600.db2.gz GMNGIOKYXLGHNT-IHWYPQMZSA-N 0 3 196.681 2.401 10 0 AEAEHN C/C=C/CNCc1ccc(F)nc1C 858291307 583269625 /nfs/dbraw/zinc/26/96/25/583269625.db2.gz UMBLCARHADFKMT-ONEGZZNKSA-N 0 3 194.253 2.195 10 0 AEAEHN C/C=C/CNCc1ccc(Cl)nc1 858290565 583269968 /nfs/dbraw/zinc/26/99/68/583269968.db2.gz GMNGIOKYXLGHNT-NSCUHMNNSA-N 0 3 196.681 2.401 10 0 AEAEHN C/C=C\CNCc1ccc(F)nc1C 858291306 583270193 /nfs/dbraw/zinc/27/01/93/583270193.db2.gz UMBLCARHADFKMT-ARJAWSKDSA-N 0 3 194.253 2.195 10 0 AEAEHN CN(Cc1ccnc(F)c1)CC1CC1 859080200 583275893 /nfs/dbraw/zinc/27/58/93/583275893.db2.gz YHXPJEFFKPNJKJ-UHFFFAOYSA-N 0 3 194.253 2.063 10 0 AEAEHN CC(C)CN(C)Cc1ccnc(F)c1 859093910 583275940 /nfs/dbraw/zinc/27/59/40/583275940.db2.gz ZFSJGCIIIJCCJZ-UHFFFAOYSA-N 0 3 196.269 2.309 10 0 AEAEHN CCN(Cc1ccnc(F)c1)C1CC1 859073560 583276157 /nfs/dbraw/zinc/27/61/57/583276157.db2.gz SUWKADIQFAKSIK-UHFFFAOYSA-N 0 3 194.253 2.205 10 0 AEAEHN CCN(Cc1ccnc(F)c1)C(C)C 859087274 583276199 /nfs/dbraw/zinc/27/61/99/583276199.db2.gz BSDASYBRHPIZAO-UHFFFAOYSA-N 0 3 196.269 2.451 10 0 AEAEHN CCCN(CC)Cc1ccnc(F)c1 859094710 583276225 /nfs/dbraw/zinc/27/62/25/583276225.db2.gz JGDFEISZFNHOGL-UHFFFAOYSA-N 0 3 196.269 2.453 10 0 AEAEHN Cc1c(CN2CCCC2)ccnc1F 862211040 583296388 /nfs/dbraw/zinc/29/63/88/583296388.db2.gz BMJOYLFIHRTLIS-UHFFFAOYSA-N 0 3 194.253 2.125 10 0 AEAEHN CCCN(C)Cc1ccnc(F)c1C 862215655 583296513 /nfs/dbraw/zinc/29/65/13/583296513.db2.gz BTURQBBJXULLFF-UHFFFAOYSA-N 0 3 196.269 2.371 10 0 AEAEHN CCN(Cc1cnc(C)o1)C(C)C 862216290 583296962 /nfs/dbraw/zinc/29/69/62/583296962.db2.gz KOGKRURICCRXAT-UHFFFAOYSA-N 0 3 182.267 2.213 10 0 AEAEHN CCN(CC)Cc1ccnc(F)c1C 862212941 583297165 /nfs/dbraw/zinc/29/71/65/583297165.db2.gz XFIQJTVJNIXPIM-UHFFFAOYSA-N 0 3 196.269 2.371 10 0 AEAEHN Cc1cc(CN2C[C@H]3C[C@H]3C2)c(C)o1 862439744 583299219 /nfs/dbraw/zinc/29/92/19/583299219.db2.gz AQGBHQPXMXRTRI-TXEJJXNPSA-N 0 3 191.274 2.348 10 0 AEAEHN C/C=C\CNCc1ccnc(F)c1C 862527855 583300009 /nfs/dbraw/zinc/30/00/09/583300009.db2.gz JAOIQKPDFNNUAC-ARJAWSKDSA-N 0 3 194.253 2.195 10 0 AEAEHN C/C=C/CNCc1ccnc(F)c1C 862527856 583300289 /nfs/dbraw/zinc/30/02/89/583300289.db2.gz JAOIQKPDFNNUAC-ONEGZZNKSA-N 0 3 194.253 2.195 10 0 AEAEHN CCCCNCc1cn(C2CC2)cn1 865399346 583325526 /nfs/dbraw/zinc/32/55/26/583325526.db2.gz MRAHUZQHLWQUOG-UHFFFAOYSA-N 0 3 193.294 2.108 10 0 AEAEHN CC[C@@H](C)NCc1cn(C2CC2)cn1 865401628 583325659 /nfs/dbraw/zinc/32/56/59/583325659.db2.gz ZAMGGSDWRCHWJK-SECBINFHSA-N 0 3 193.294 2.106 10 0 AEAEHN CC[C@H](C)NCc1cn(C2CC2)cn1 865401629 583325808 /nfs/dbraw/zinc/32/58/08/583325808.db2.gz ZAMGGSDWRCHWJK-VIFPVBQESA-N 0 3 193.294 2.106 10 0 AEAEHN F[C@@H]1CCCC[C@@H]1NCc1cc[nH]c1 865698582 583327320 /nfs/dbraw/zinc/32/73/20/583327320.db2.gz CVLLWQPCHRBLRJ-MNOVXSKESA-N 0 3 196.269 2.385 10 0 AEAEHN CS[C@H]1C[C@H](NCc2ccoc2)C1 865734368 583328106 /nfs/dbraw/zinc/32/81/06/583328106.db2.gz VHHNRMUOGQHFNN-MGCOHNPYSA-N 0 3 197.303 2.263 10 0 AEAEHN CS[C@H]1C[C@H](NCc2ccco2)C1 865734603 583328329 /nfs/dbraw/zinc/32/83/29/583328329.db2.gz GPRPVJPGHHVBHA-CZMCAQCFSA-N 0 3 197.303 2.263 10 0 AEAEHN CC(C)(C)CCNCc1cncnc1 122212028 583337331 /nfs/dbraw/zinc/33/73/31/583337331.db2.gz HVWTTWZKUBQQJX-UHFFFAOYSA-N 0 3 193.294 2.002 10 0 AEAEHN CCCC[C@@H](C)NCc1ccn(C)n1 123817633 583355973 /nfs/dbraw/zinc/35/59/73/583355973.db2.gz UAGUTEZGBGVEAC-SNVBAGLBSA-N 0 3 195.310 2.088 10 0 AEAEHN CC(C)[C@H](C)N[C@@H](C)c1ncc[nH]1 124813876 583378890 /nfs/dbraw/zinc/37/88/90/583378890.db2.gz MZCKWIBYGUEMJY-IUCAKERBSA-N 0 3 181.283 2.105 10 0 AEAEHN CC(C)[C@H](C)N[C@H](C)c1ncc[nH]1 124814286 583379157 /nfs/dbraw/zinc/37/91/57/583379157.db2.gz MZCKWIBYGUEMJY-DTWKUNHWSA-N 0 3 181.283 2.105 10 0 AEAEHN CC(C)[C@@H](C)N[C@@H](C)c1ncc[nH]1 124813690 583379300 /nfs/dbraw/zinc/37/93/00/583379300.db2.gz MZCKWIBYGUEMJY-BDAKNGLRSA-N 0 3 181.283 2.105 10 0 AEAEHN CC[C@@H](N[C@H](C)c1ncc[nH]1)C(C)C 124779970 583379733 /nfs/dbraw/zinc/37/97/33/583379733.db2.gz OFXTXAPURPADOQ-NXEZZACHSA-N 0 3 195.310 2.495 10 0 AEAEHN CC[C@H](N[C@H](C)c1ncc[nH]1)C(C)C 124779760 583379782 /nfs/dbraw/zinc/37/97/82/583379782.db2.gz OFXTXAPURPADOQ-ZJUUUORDSA-N 0 3 195.310 2.495 10 0 AEAEHN CC(C)[C@@H](C)N[C@H](C)c1ncc[nH]1 124814070 583379882 /nfs/dbraw/zinc/37/98/82/583379882.db2.gz MZCKWIBYGUEMJY-RKDXNWHRSA-N 0 3 181.283 2.105 10 0 AEAEHN CSC[C@@H](C)NCc1ccoc1 125012084 583381815 /nfs/dbraw/zinc/38/18/15/583381815.db2.gz XNJUYCYFGRIQAF-MRVPVSSYSA-N 0 3 185.292 2.121 10 0 AEAEHN CSC[C@H](C)NCc1ccoc1 125011837 583381866 /nfs/dbraw/zinc/38/18/66/583381866.db2.gz XNJUYCYFGRIQAF-QMMMGPOBSA-N 0 3 185.292 2.121 10 0 AEAEHN c1c(C2CC2)noc1CNCC1CC1 876924444 583389573 /nfs/dbraw/zinc/38/95/73/583389573.db2.gz MVQYNDRNFNQRLJ-UHFFFAOYSA-N 0 3 192.262 2.052 10 0 AEAEHN C=C/C=C\CCN1CCO[C@H](CC)C1 877956840 583400680 /nfs/dbraw/zinc/40/06/80/583400680.db2.gz ALNFRJVBWSVWCF-FOQNGQEVSA-N 0 3 195.306 2.230 10 0 AEAEHN C=C/C=C/CCN1CCO[C@@H](CC)C1 877956841 583400962 /nfs/dbraw/zinc/40/09/62/583400962.db2.gz ALNFRJVBWSVWCF-FYJFLYSWSA-N 0 3 195.306 2.230 10 0 AEAEHN C=C/C=C/CCN1CCO[C@H](CC)C1 877956838 583400982 /nfs/dbraw/zinc/40/09/82/583400982.db2.gz ALNFRJVBWSVWCF-BTDICHCPSA-N 0 3 195.306 2.230 10 0 AEAEHN C=C/C=C\CCN1CCO[C@@H](CC)C1 877956839 583401289 /nfs/dbraw/zinc/40/12/89/583401289.db2.gz ALNFRJVBWSVWCF-FJOGCWAESA-N 0 3 195.306 2.230 10 0 AEAEHN C(CC1CC1)CN1C[C@@H]2CC[C@H](C1)O2 878151651 583406564 /nfs/dbraw/zinc/40/65/64/583406564.db2.gz BOTPDWNUTOCINE-TXEJJXNPSA-N 0 3 195.306 2.040 10 0 AEAEHN C=C/C=C/CCN1CCO[C@H](C)[C@H]1C 878196598 583407224 /nfs/dbraw/zinc/40/72/24/583407224.db2.gz GSLYWZHPKRTYAG-IEVRTODYSA-N 0 3 195.306 2.228 10 0 AEAEHN C=C/C=C\CCN1CCO[C@H](C)[C@@H]1C 878196595 583407451 /nfs/dbraw/zinc/40/74/51/583407451.db2.gz GSLYWZHPKRTYAG-ABZJQCSKSA-N 0 3 195.306 2.228 10 0 AEAEHN C=C/C=C\CCN1CCO[C@H](C)[C@H]1C 878196597 583407699 /nfs/dbraw/zinc/40/76/99/583407699.db2.gz GSLYWZHPKRTYAG-GKKDLHFNSA-N 0 3 195.306 2.228 10 0 AEAEHN C=C/C=C/CCN1CCO[C@H](C)[C@@H]1C 878196596 583407833 /nfs/dbraw/zinc/40/78/33/583407833.db2.gz GSLYWZHPKRTYAG-CYLBZQBVSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(=O)CN1CCCC2(CCCC2)C1 878480632 583410550 /nfs/dbraw/zinc/41/05/50/583410550.db2.gz DGSMEJSTLRNUDE-UHFFFAOYSA-N 0 3 195.306 2.232 10 0 AEAEHN CC(=O)CN[C@H](C)[C@@]12CCCC[C@@H]1C2 879267261 583416996 /nfs/dbraw/zinc/41/69/96/583416996.db2.gz XQGYLMRNYRNJTR-UTUOFQBUSA-N 0 3 195.306 2.134 10 0 AEAEHN CC(=O)CN[C@H](C)[C@]12CCCC[C@H]1C2 879267259 583417010 /nfs/dbraw/zinc/41/70/10/583417010.db2.gz XQGYLMRNYRNJTR-GRYCIOLGSA-N 0 3 195.306 2.134 10 0 AEAEHN C=C/C=C\CCSCCN(C)C 882138240 583449377 /nfs/dbraw/zinc/44/93/77/583449377.db2.gz FIZIFRXKRLRCLB-WAYWQWQTSA-N 0 3 185.336 2.414 10 0 AEAEHN C=C/C=C/CCSCCN(C)C 882138239 583449805 /nfs/dbraw/zinc/44/98/05/583449805.db2.gz FIZIFRXKRLRCLB-AATRIKPKSA-N 0 3 185.336 2.414 10 0 AEAEHN C1=CCC(NCc2ccoc2)C1 131181063 583463284 /nfs/dbraw/zinc/46/32/84/583463284.db2.gz SOFLVVZBJILSSA-UHFFFAOYSA-N 0 3 163.220 2.088 10 0 AEAEHN CN(C[C@H]1CC[C@@H](C2CC2)O1)C1CC1 885956183 583489248 /nfs/dbraw/zinc/48/92/48/583489248.db2.gz LGPNFEFUTJYTAX-NEPJUHHUSA-N 0 3 195.306 2.038 10 0 AEAEHN CC[C@@H](C)N(CC)Cc1n[nH]cc1C 886274372 583493796 /nfs/dbraw/zinc/49/37/96/583493796.db2.gz RJRBMWATKGNLCO-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](C)N(CC)Cc1n[nH]cc1C 886274371 583494129 /nfs/dbraw/zinc/49/41/29/583494129.db2.gz RJRBMWATKGNLCO-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN F[C@@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 886222905 583494172 /nfs/dbraw/zinc/49/41/72/583494172.db2.gz CXUBNLZCIDVVGC-UTUOFQBUSA-N 0 3 197.297 2.466 10 0 AEAEHN F[C@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 886222906 583494242 /nfs/dbraw/zinc/49/42/42/583494242.db2.gz CXUBNLZCIDVVGC-WOPDTQHZSA-N 0 3 197.297 2.466 10 0 AEAEHN C[C@@H]1SCC[C@H]1NCc1ccoc1 220617664 583501292 /nfs/dbraw/zinc/50/12/92/583501292.db2.gz TWQTVRJYFTXESB-WCBMZHEXSA-N 0 3 197.303 2.263 10 0 AEAEHN C[C@H]1SCC[C@@H]1NCc1ccoc1 220617586 583501427 /nfs/dbraw/zinc/50/14/27/583501427.db2.gz TWQTVRJYFTXESB-SCZZXKLOSA-N 0 3 197.303 2.263 10 0 AEAEHN C[C@@H]1SCC[C@@H]1NCc1ccoc1 220617514 583501548 /nfs/dbraw/zinc/50/15/48/583501548.db2.gz TWQTVRJYFTXESB-WPRPVWTQSA-N 0 3 197.303 2.263 10 0 AEAEHN c1cc(CNC2(C3CC3)CCC2)on1 887145159 583507781 /nfs/dbraw/zinc/50/77/81/583507781.db2.gz PZDZHVPLGQCYBU-UHFFFAOYSA-N 0 3 192.262 2.097 10 0 AEAEHN COC[C@@H](NC(C)C)c1ccccc1 75581441 490022359 /nfs/dbraw/zinc/02/23/59/490022359.db2.gz NXUQITGNVFPMGS-GFCCVEGCSA-N 0 3 193.290 2.372 10 0 AEAEHN C[C@@H](NC1CSC1)c1ccccc1 75121296 490022601 /nfs/dbraw/zinc/02/26/01/490022601.db2.gz QOSBIOMDBTXANI-SECBINFHSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@H](NC1CSC1)c1ccccc1 75121295 490022611 /nfs/dbraw/zinc/02/26/11/490022611.db2.gz QOSBIOMDBTXANI-VIFPVBQESA-N 0 3 193.315 2.453 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1cncs1 124345639 490030155 /nfs/dbraw/zinc/03/01/55/490030155.db2.gz CLEZBBCIOYQYRV-PSASIEDQSA-N 0 3 196.319 2.421 10 0 AEAEHN CC1(CNCc2cncs2)CCC1 124363521 490030461 /nfs/dbraw/zinc/03/04/61/490030461.db2.gz CCWHHPVLZRTNHR-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN Cc1ccncc1[C@H](C)N[C@H]1C[C@@H]1C 129195921 490049181 /nfs/dbraw/zinc/04/91/81/490049181.db2.gz AGEMFNXNAZPBRH-NHCYSSNCSA-N 0 3 190.290 2.449 10 0 AEAEHN Cc1ccncc1[C@H](C)N[C@@H]1C[C@@H]1C 129195454 490049539 /nfs/dbraw/zinc/04/95/39/490049539.db2.gz AGEMFNXNAZPBRH-JBLDHEPKSA-N 0 3 190.290 2.449 10 0 AEAEHN CC(C)N1CC[C@H](C)[C@@H](F)C1 218971021 490070964 /nfs/dbraw/zinc/07/09/64/490070964.db2.gz XWQHJBCQXDUAGX-IUCAKERBSA-N 0 3 159.248 2.075 10 0 AEAEHN CC(C)N1CC[C@@H](C)[C@@H](F)C1 218970987 490071012 /nfs/dbraw/zinc/07/10/12/490071012.db2.gz XWQHJBCQXDUAGX-BDAKNGLRSA-N 0 3 159.248 2.075 10 0 AEAEHN CC[C@@H](C)N[C@@H](C)c1nccnc1C 219076382 490071381 /nfs/dbraw/zinc/07/13/81/490071381.db2.gz CIOIRMDIKPMHLW-SCZZXKLOSA-N 0 3 193.294 2.234 10 0 AEAEHN CC[C@H](C)N[C@@H](C)c1nccnc1C 219076462 490071474 /nfs/dbraw/zinc/07/14/74/490071474.db2.gz CIOIRMDIKPMHLW-WPRPVWTQSA-N 0 3 193.294 2.234 10 0 AEAEHN CCCCN[C@@H](C)c1nccnc1C 219075003 490071481 /nfs/dbraw/zinc/07/14/81/490071481.db2.gz SSOVFBWMSDWMMD-VIFPVBQESA-N 0 3 193.294 2.236 10 0 AEAEHN CCCCN[C@H](C)c1nccnc1C 219075083 490071561 /nfs/dbraw/zinc/07/15/61/490071561.db2.gz SSOVFBWMSDWMMD-SECBINFHSA-N 0 3 193.294 2.236 10 0 AEAEHN Cc1nccnc1[C@@H](C)NCC(C)C 219074789 490071644 /nfs/dbraw/zinc/07/16/44/490071644.db2.gz CJFUFKVFONWMKK-SNVBAGLBSA-N 0 3 193.294 2.092 10 0 AEAEHN CC[C@@H](C)N[C@H](C)c1nccnc1C 219076538 490071650 /nfs/dbraw/zinc/07/16/50/490071650.db2.gz CIOIRMDIKPMHLW-PSASIEDQSA-N 0 3 193.294 2.234 10 0 AEAEHN CC[C@H](C)N[C@H](C)c1nccnc1C 219076618 490071766 /nfs/dbraw/zinc/07/17/66/490071766.db2.gz CIOIRMDIKPMHLW-WCBMZHEXSA-N 0 3 193.294 2.234 10 0 AEAEHN Cc1nccnc1[C@H](C)NCC(C)C 219074885 490071854 /nfs/dbraw/zinc/07/18/54/490071854.db2.gz CJFUFKVFONWMKK-JTQLQIEISA-N 0 3 193.294 2.092 10 0 AEAEHN CC(C)=CCN[C@@H](C)c1ccnn1C 219326551 490072447 /nfs/dbraw/zinc/07/24/47/490072447.db2.gz BMNITHGZUOGFSN-JTQLQIEISA-N 0 3 193.294 2.037 10 0 AEAEHN CC(C)=CCN[C@H](C)c1ccnn1C 219326578 490072613 /nfs/dbraw/zinc/07/26/13/490072613.db2.gz BMNITHGZUOGFSN-SNVBAGLBSA-N 0 3 193.294 2.037 10 0 AEAEHN CCCCCN1C[C@H](C)O[C@@H](C)C1 219947121 490073327 /nfs/dbraw/zinc/07/33/27/490073327.db2.gz CTLUZECDUNXQDO-QWRGUYRKSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCCN1C[C@@H](C)O[C@H](C)C1 219947048 490073653 /nfs/dbraw/zinc/07/36/53/490073653.db2.gz CTLUZECDUNXQDO-GHMZBOCLSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCCN1C[C@H](C)O[C@H](C)C1 219946968 490073738 /nfs/dbraw/zinc/07/37/38/490073738.db2.gz CTLUZECDUNXQDO-PHIMTYICSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCN(C)Cc1cc(C)ccn1 219940155 490073755 /nfs/dbraw/zinc/07/37/55/490073755.db2.gz AMBKJPJQVRENQK-UHFFFAOYSA-N 0 3 178.279 2.232 10 0 AEAEHN COC(C)(C)[C@H](C)NCc1ccco1 301040648 490114252 /nfs/dbraw/zinc/11/42/52/490114252.db2.gz ZCJBIOZLNDUKOR-VIFPVBQESA-N 0 3 197.278 2.183 10 0 AEAEHN COC(C)(C)[C@@H](C)NCc1ccco1 301040647 490114300 /nfs/dbraw/zinc/11/43/00/490114300.db2.gz ZCJBIOZLNDUKOR-SECBINFHSA-N 0 3 197.278 2.183 10 0 AEAEHN C[C@@H]1[C@@H](NCc2ccco2)C[C@H]1C 306488143 490121462 /nfs/dbraw/zinc/12/14/62/490121462.db2.gz KLYWJRPAXQXQHO-YWVKMMECSA-N 0 3 179.263 2.414 10 0 AEAEHN Cc1ccc2c(CN)nccc2c1C 521400633 490150790 /nfs/dbraw/zinc/15/07/90/490150790.db2.gz BVFYKWPKZFOAMW-UHFFFAOYSA-N 0 3 186.258 2.310 10 0 AEAEHN CC(C)COc1cccc(CN)c1F 521400698 490150880 /nfs/dbraw/zinc/15/08/80/490150880.db2.gz CFKXNBURIVXYSS-UHFFFAOYSA-N 0 3 197.253 2.319 10 0 AEAEHN CC[C@H](C)NCc1ccn(C(C)C)n1 82866347 491022990 /nfs/dbraw/zinc/02/29/90/491022990.db2.gz OVLMRNFRBYRZEN-JTQLQIEISA-N 0 3 195.310 2.352 10 0 AEAEHN CC[C@@H](C)NCc1ccn(C(C)C)n1 82866346 491023016 /nfs/dbraw/zinc/02/30/16/491023016.db2.gz OVLMRNFRBYRZEN-SNVBAGLBSA-N 0 3 195.310 2.352 10 0 AEAEHN C[C@@H](N[C@H](C)C(C)(C)O)c1ccco1 83726203 491025072 /nfs/dbraw/zinc/02/50/72/491025072.db2.gz OUACYXFLKMOANC-RKDXNWHRSA-N 0 3 197.278 2.090 10 0 AEAEHN C[C@H](N[C@H](C)C(C)(C)O)c1ccco1 83726201 491025123 /nfs/dbraw/zinc/02/51/23/491025123.db2.gz OUACYXFLKMOANC-DTWKUNHWSA-N 0 3 197.278 2.090 10 0 AEAEHN C[C@@H]1C[C@@H](NCc2ccoc2)CS1 130615056 491034112 /nfs/dbraw/zinc/03/41/12/491034112.db2.gz VJLMDPUJJOMSIR-PSASIEDQSA-N 0 3 197.303 2.263 10 0 AEAEHN C[C@H]1C[C@H](NCc2ccoc2)CS1 130614841 491034154 /nfs/dbraw/zinc/03/41/54/491034154.db2.gz VJLMDPUJJOMSIR-WPRPVWTQSA-N 0 3 197.303 2.263 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccoc1 87290161 491030376 /nfs/dbraw/zinc/03/03/76/491030376.db2.gz SPNMGGKJJZKFTA-NRPADANISA-N 0 3 165.236 2.339 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccoc1 87290163 491030394 /nfs/dbraw/zinc/03/03/94/491030394.db2.gz SPNMGGKJJZKFTA-OYNCUSHFSA-N 0 3 165.236 2.339 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccoc1 87290160 491030400 /nfs/dbraw/zinc/03/04/00/491030400.db2.gz SPNMGGKJJZKFTA-WEDXCCLWSA-N 0 3 165.236 2.339 10 0 AEAEHN CCOC[C@H](C)N[C@@H](C)c1ccoc1 87290089 491030466 /nfs/dbraw/zinc/03/04/66/491030466.db2.gz GPDRIWNTRHGCLQ-UWVGGRQHSA-N 0 3 197.278 2.355 10 0 AEAEHN CCOC[C@H](C)N[C@H](C)c1ccoc1 87290091 491030477 /nfs/dbraw/zinc/03/04/77/491030477.db2.gz GPDRIWNTRHGCLQ-VHSXEESVSA-N 0 3 197.278 2.355 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccoc1 87290162 491030482 /nfs/dbraw/zinc/03/04/82/491030482.db2.gz SPNMGGKJJZKFTA-KHQFGBGNSA-N 0 3 165.236 2.339 10 0 AEAEHN C[C@H]1C[C@@H](NCc2ccoc2)CS1 130615263 491034213 /nfs/dbraw/zinc/03/42/13/491034213.db2.gz VJLMDPUJJOMSIR-WCBMZHEXSA-N 0 3 197.303 2.263 10 0 AEAEHN C[C@@H]1C[C@H](NCc2ccoc2)CS1 130614651 491034217 /nfs/dbraw/zinc/03/42/17/491034217.db2.gz VJLMDPUJJOMSIR-SCZZXKLOSA-N 0 3 197.303 2.263 10 0 AEAEHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccoc1 130938098 491034330 /nfs/dbraw/zinc/03/43/30/491034330.db2.gz HAVZFGDKQOGZBN-LPEHRKFASA-N 0 3 197.278 2.354 10 0 AEAEHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccoc1 130938301 491034355 /nfs/dbraw/zinc/03/43/55/491034355.db2.gz HAVZFGDKQOGZBN-IVZWLZJFSA-N 0 3 197.278 2.354 10 0 AEAEHN C[C@H](NCCCF)c1ccco1 88024530 491032624 /nfs/dbraw/zinc/03/26/24/491032624.db2.gz BAVUMOJKRYNQJT-QMMMGPOBSA-N 0 3 171.215 2.290 10 0 AEAEHN C[C@@H](NCCCF)c1ccco1 88024531 491032639 /nfs/dbraw/zinc/03/26/39/491032639.db2.gz BAVUMOJKRYNQJT-MRVPVSSYSA-N 0 3 171.215 2.290 10 0 AEAEHN C1=CCC(NCc2ccco2)C1 131175435 491034480 /nfs/dbraw/zinc/03/44/80/491034480.db2.gz DBNAOILLJYUBPS-UHFFFAOYSA-N 0 3 163.220 2.088 10 0 AEAEHN CCC(CC)CN1CCC(=O)[C@@H](C)C1 130382986 491033716 /nfs/dbraw/zinc/03/37/16/491033716.db2.gz RGPIKJUKROMAPS-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCC(CC)CN1CCC(=O)[C@H](C)C1 130382758 491033780 /nfs/dbraw/zinc/03/37/80/491033780.db2.gz RGPIKJUKROMAPS-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1cncs1 133249185 491037391 /nfs/dbraw/zinc/03/73/91/491037391.db2.gz BHTNBOSPARCITD-FXQIFTODSA-N 0 3 182.292 2.202 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1cncs1 133249611 491037423 /nfs/dbraw/zinc/03/74/23/491037423.db2.gz BHTNBOSPARCITD-BIIVOSGPSA-N 0 3 182.292 2.202 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1cncs1 133248983 491037442 /nfs/dbraw/zinc/03/74/42/491037442.db2.gz BHTNBOSPARCITD-CSMHCCOUSA-N 0 3 182.292 2.202 10 0 AEAEHN CC[C@@H](C)NCc1ncccc1F 131241248 491034661 /nfs/dbraw/zinc/03/46/61/491034661.db2.gz AVDCHVWYABGMNZ-MRVPVSSYSA-N 0 3 182.242 2.109 10 0 AEAEHN CC[C@H](C)NCc1ncccc1F 131241507 491034674 /nfs/dbraw/zinc/03/46/74/491034674.db2.gz AVDCHVWYABGMNZ-QMMMGPOBSA-N 0 3 182.242 2.109 10 0 AEAEHN Cc1ccc(CNC[C@H]2C[C@H]2C)nc1 131360525 491034690 /nfs/dbraw/zinc/03/46/90/491034690.db2.gz RENMVTOWRMOYSZ-GHMZBOCLSA-N 0 3 190.290 2.136 10 0 AEAEHN Cc1ccc(CNC[C@H]2C[C@@H]2C)nc1 131360090 491034707 /nfs/dbraw/zinc/03/47/07/491034707.db2.gz RENMVTOWRMOYSZ-WDEREUQCSA-N 0 3 190.290 2.136 10 0 AEAEHN Cc1ccc(CNC[C@@H]2C[C@H]2C)nc1 131360293 491034769 /nfs/dbraw/zinc/03/47/69/491034769.db2.gz RENMVTOWRMOYSZ-MNOVXSKESA-N 0 3 190.290 2.136 10 0 AEAEHN Cc1ccc(CNC[C@@H]2C[C@@H]2C)nc1 131359880 491034791 /nfs/dbraw/zinc/03/47/91/491034791.db2.gz RENMVTOWRMOYSZ-QWRGUYRKSA-N 0 3 190.290 2.136 10 0 AEAEHN C[C@@H](CC1CCC1)NCc1cc[nH]n1 133381815 491037639 /nfs/dbraw/zinc/03/76/39/491037639.db2.gz FDAIKRUKVWENDV-VIFPVBQESA-N 0 3 193.294 2.078 10 0 AEAEHN C[C@H](CC1CCC1)NCc1cc[nH]n1 133381990 491037684 /nfs/dbraw/zinc/03/76/84/491037684.db2.gz FDAIKRUKVWENDV-SECBINFHSA-N 0 3 193.294 2.078 10 0 AEAEHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccco1 132227829 491036145 /nfs/dbraw/zinc/03/61/45/491036145.db2.gz OWUVVRPNMAZJKA-IVZWLZJFSA-N 0 3 197.278 2.354 10 0 AEAEHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccco1 132227638 491036199 /nfs/dbraw/zinc/03/61/99/491036199.db2.gz OWUVVRPNMAZJKA-LPEHRKFASA-N 0 3 197.278 2.354 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1cncs1 133249389 491037342 /nfs/dbraw/zinc/03/73/42/491037342.db2.gz BHTNBOSPARCITD-GJMOJQLCSA-N 0 3 182.292 2.202 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccc(F)cn1 134010638 491038338 /nfs/dbraw/zinc/03/83/38/491038338.db2.gz BXFWWCNTHFGJPH-DKCNOQQISA-N 0 3 194.253 2.280 10 0 AEAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccco1 133956218 491038347 /nfs/dbraw/zinc/03/83/47/491038347.db2.gz KVORAHBBDLDACH-LPEHRKFASA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccco1 133956424 491038372 /nfs/dbraw/zinc/03/83/72/491038372.db2.gz KVORAHBBDLDACH-AEJSXWLSSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(F)cn1 134010453 491038375 /nfs/dbraw/zinc/03/83/75/491038375.db2.gz BXFWWCNTHFGJPH-VHSKPIJISA-N 0 3 194.253 2.280 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccc(F)cn1 134010039 491038393 /nfs/dbraw/zinc/03/83/93/491038393.db2.gz BXFWWCNTHFGJPH-FYBVGQRMSA-N 0 3 194.253 2.280 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccc(F)cn1 134010245 491038424 /nfs/dbraw/zinc/03/84/24/491038424.db2.gz BXFWWCNTHFGJPH-LAEOZQHASA-N 0 3 194.253 2.280 10 0 AEAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccco1 133956646 491038426 /nfs/dbraw/zinc/03/84/26/491038426.db2.gz KVORAHBBDLDACH-GUBZILKMSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccoc1 134526062 491038998 /nfs/dbraw/zinc/03/89/98/491038998.db2.gz KWRSPFDFVZATEO-ATZCPNFKSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccoc1 134526086 491039047 /nfs/dbraw/zinc/03/90/47/491039047.db2.gz KWRSPFDFVZATEO-NGZCFLSTSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccoc1 134526107 491039076 /nfs/dbraw/zinc/03/90/76/491039076.db2.gz KWRSPFDFVZATEO-QXEWZRGKSA-N 0 3 195.262 2.108 10 0 AEAEHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccco1 221806732 491040661 /nfs/dbraw/zinc/04/06/61/491040661.db2.gz OWUVVRPNMAZJKA-GUBZILKMSA-N 0 3 197.278 2.354 10 0 AEAEHN Cc1n[nH]cc1[C@@H](C)NC1CC(C)C1 134590280 491039151 /nfs/dbraw/zinc/03/91/51/491039151.db2.gz OIVYYPMAUMYGGJ-CCNFQMFXSA-N 0 3 193.294 2.167 10 0 AEAEHN Cc1n[nH]cc1[C@H](C)NC1CC(C)C1 134590301 491039220 /nfs/dbraw/zinc/03/92/20/491039220.db2.gz OIVYYPMAUMYGGJ-ZCUBBSJVSA-N 0 3 193.294 2.167 10 0 AEAEHN CC1(CNCc2ccoc2)CC1 224187303 491041685 /nfs/dbraw/zinc/04/16/85/491041685.db2.gz UDQXKTHWOFCMGU-UHFFFAOYSA-N 0 3 165.236 2.169 10 0 AEAEHN C/C=C/CN[C@H](C)c1cccnc1 228570164 491044489 /nfs/dbraw/zinc/04/44/89/491044489.db2.gz QTBYIRRNLBUXTO-HMDXOVGESA-N 0 3 176.263 2.308 10 0 AEAEHN c1cc(CNC[C@H]2CCSC2)co1 224477296 491041742 /nfs/dbraw/zinc/04/17/42/491041742.db2.gz KIDREWQZQCYVPN-SNVBAGLBSA-N 0 3 197.303 2.122 10 0 AEAEHN C/C=C/CN[C@@H](C)c1ccncc1 228563594 491044501 /nfs/dbraw/zinc/04/45/01/491044501.db2.gz KSJRLBSWVQEYDE-FSIBCCDJSA-N 0 3 176.263 2.308 10 0 AEAEHN C/C=C/CN[C@@H](C)c1cccnc1 228570158 491044504 /nfs/dbraw/zinc/04/45/04/491044504.db2.gz QTBYIRRNLBUXTO-FSIBCCDJSA-N 0 3 176.263 2.308 10 0 AEAEHN c1cc(CNC[C@@H]2CCSC2)co1 224477251 491041784 /nfs/dbraw/zinc/04/17/84/491041784.db2.gz KIDREWQZQCYVPN-JTQLQIEISA-N 0 3 197.303 2.122 10 0 AEAEHN C/C=C/CN[C@H](C)c1ccncc1 228563599 491044540 /nfs/dbraw/zinc/04/45/40/491044540.db2.gz KSJRLBSWVQEYDE-HMDXOVGESA-N 0 3 176.263 2.308 10 0 AEAEHN C/C=C/CN[C@@H](C)c1ccccn1 228577454 491044549 /nfs/dbraw/zinc/04/45/49/491044549.db2.gz HYGSOAWSQNSGDG-FSIBCCDJSA-N 0 3 176.263 2.308 10 0 AEAEHN C/C=C/CN[C@H](C)c1ccccn1 228577461 491044584 /nfs/dbraw/zinc/04/45/84/491044584.db2.gz HYGSOAWSQNSGDG-HMDXOVGESA-N 0 3 176.263 2.308 10 0 AEAEHN CCC[C@@H](C)N1CCN(C(C)C)CC1 225510414 491042217 /nfs/dbraw/zinc/04/22/17/491042217.db2.gz HHMXGXVOHJVOHJ-GFCCVEGCSA-N 0 3 198.354 2.201 10 0 AEAEHN CCC[C@H](C)N1CCN(C(C)C)CC1 225510448 491042248 /nfs/dbraw/zinc/04/22/48/491042248.db2.gz HHMXGXVOHJVOHJ-LBPRGKRZSA-N 0 3 198.354 2.201 10 0 AEAEHN Cc1cccc(CNCC2(C)CC2)n1 226374795 491042667 /nfs/dbraw/zinc/04/26/67/491042667.db2.gz XNLOHMBGSOPYMQ-UHFFFAOYSA-N 0 3 190.290 2.280 10 0 AEAEHN CC1(CNCc2nccs2)CCC1 226786373 491043083 /nfs/dbraw/zinc/04/30/83/491043083.db2.gz SJMUOVUEISLMNY-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccco1 229383523 491045189 /nfs/dbraw/zinc/04/51/89/491045189.db2.gz OWUVVRPNMAZJKA-AEJSXWLSSA-N 0 3 197.278 2.354 10 0 AEAEHN CCC[C@H](C)N1C[C@@H]2CC[C@H](C1)O2 306375719 491049577 /nfs/dbraw/zinc/04/95/77/491049577.db2.gz MAWLJUDEGJIDRN-GARJFASQSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@H]1CC[C@@H]1NCc1nccs1 306374351 491049586 /nfs/dbraw/zinc/04/95/86/491049586.db2.gz LAIYVYVVPSHMSW-YUMQZZPRSA-N 0 3 182.292 2.031 10 0 AEAEHN C[C@@H]1CC[C@@H]1NCc1nccs1 306374349 491049591 /nfs/dbraw/zinc/04/95/91/491049591.db2.gz LAIYVYVVPSHMSW-SFYZADRCSA-N 0 3 182.292 2.031 10 0 AEAEHN C[C@H]1CC[C@H]1NCc1nccs1 306374346 491049595 /nfs/dbraw/zinc/04/95/95/491049595.db2.gz LAIYVYVVPSHMSW-JGVFFNPUSA-N 0 3 182.292 2.031 10 0 AEAEHN C[C@@H]1CC[C@H]1NCc1nccs1 306374344 491049610 /nfs/dbraw/zinc/04/96/10/491049610.db2.gz LAIYVYVVPSHMSW-HTQZYQBOSA-N 0 3 182.292 2.031 10 0 AEAEHN Cc1cc(CN[C@@H]2C[C@@H](C)[C@H]2C)on1 306227933 491046925 /nfs/dbraw/zinc/04/69/25/491046925.db2.gz WZSZJMJHCRJIKO-BCMRRPTOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@@H]2C[C@H](C)[C@H]2C)on1 306227934 491046947 /nfs/dbraw/zinc/04/69/47/491046947.db2.gz WZSZJMJHCRJIKO-JVUFJMBOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@@H]2C[C@H](C)[C@@H]2C)on1 306227935 491046961 /nfs/dbraw/zinc/04/69/61/491046961.db2.gz WZSZJMJHCRJIKO-OVYXKVPISA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc(CN[C@@H]2C[C@@H](C)[C@@H]2C)on1 306227936 491047002 /nfs/dbraw/zinc/04/70/02/491047002.db2.gz WZSZJMJHCRJIKO-POZPLHJXSA-N 0 3 194.278 2.117 10 0 AEAEHN CCC[C@@H](C)N1C[C@@H]2CC[C@H](C1)O2 306375720 491049664 /nfs/dbraw/zinc/04/96/64/491049664.db2.gz MAWLJUDEGJIDRN-MXWKQRLJSA-N 0 3 183.295 2.038 10 0 AEAEHN Cc1nc(C)c(CN(C)C(C)C)o1 306271516 491047583 /nfs/dbraw/zinc/04/75/83/491047583.db2.gz VYADFIWWXYQKIH-UHFFFAOYSA-N 0 3 182.267 2.132 10 0 AEAEHN CC1=C[C@@H](C)CN(CC2(F)CC2)C1 306276374 491047791 /nfs/dbraw/zinc/04/77/91/491047791.db2.gz DWSXIBRSMDDEAH-SECBINFHSA-N 0 3 183.270 2.387 10 0 AEAEHN CC1=C[C@H](C)CN(CC2(F)CC2)C1 306276375 491047827 /nfs/dbraw/zinc/04/78/27/491047827.db2.gz DWSXIBRSMDDEAH-VIFPVBQESA-N 0 3 183.270 2.387 10 0 AEAEHN CCCCN1CC[C@@H](C)[C@@H](F)C1 306293521 491048174 /nfs/dbraw/zinc/04/81/74/491048174.db2.gz WXXZMGKUGTVTTO-ZJUUUORDSA-N 0 3 173.275 2.466 10 0 AEAEHN CCCCN1CC[C@H](C)[C@@H](F)C1 306293514 491048179 /nfs/dbraw/zinc/04/81/79/491048179.db2.gz WXXZMGKUGTVTTO-UWVGGRQHSA-N 0 3 173.275 2.466 10 0 AEAEHN CCCCN1CC[C@@H](C)[C@H](F)C1 306293513 491048187 /nfs/dbraw/zinc/04/81/87/491048187.db2.gz WXXZMGKUGTVTTO-NXEZZACHSA-N 0 3 173.275 2.466 10 0 AEAEHN CCCCN1CC[C@H](C)[C@H](F)C1 306293515 491048192 /nfs/dbraw/zinc/04/81/92/491048192.db2.gz WXXZMGKUGTVTTO-VHSXEESVSA-N 0 3 173.275 2.466 10 0 AEAEHN Cc1ccc(CN[C@@H]2[C@H]3CCC[C@H]32)o1 306302545 491048214 /nfs/dbraw/zinc/04/82/14/491048214.db2.gz CAMCPZWKIGBNOH-GDNZZTSVSA-N 0 3 191.274 2.476 10 0 AEAEHN FC1(CNCc2ccccc2)CC1 306329959 491048662 /nfs/dbraw/zinc/04/86/62/491048662.db2.gz BFIVVDSIGMQDMV-UHFFFAOYSA-N 0 3 179.238 2.278 10 0 AEAEHN C[C@H]1CCN(CCC2CC2)C[C@@H]1F 306355400 491049050 /nfs/dbraw/zinc/04/90/50/491049050.db2.gz JJNGIFDEKKPPSJ-ONGXEEELSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@H]1CCN(CCC2CC2)C[C@H]1F 306355394 491049060 /nfs/dbraw/zinc/04/90/60/491049060.db2.gz JJNGIFDEKKPPSJ-GXSJLCMTSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@@H]1CCN(CCC2CC2)C[C@H]1F 306355398 491049063 /nfs/dbraw/zinc/04/90/63/491049063.db2.gz JJNGIFDEKKPPSJ-MWLCHTKSSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@@H]1CCN(CCC2CC2)C[C@@H]1F 306355396 491049093 /nfs/dbraw/zinc/04/90/93/491049093.db2.gz JJNGIFDEKKPPSJ-KOLCDFICSA-N 0 3 185.286 2.466 10 0 AEAEHN CC[C@H](C)N1CC[C@@H](C)[C@H](F)C1 306389803 491049892 /nfs/dbraw/zinc/04/98/92/491049892.db2.gz XJHYKZCZOZPKOR-KXUCPTDWSA-N 0 3 173.275 2.465 10 0 AEAEHN CC[C@H](C)N1CC[C@@H](C)[C@@H](F)C1 306389805 491049897 /nfs/dbraw/zinc/04/98/97/491049897.db2.gz XJHYKZCZOZPKOR-UTLUCORTSA-N 0 3 173.275 2.465 10 0 AEAEHN CC[C@H](C)N1CC[C@H](C)[C@H](F)C1 306389804 491049913 /nfs/dbraw/zinc/04/99/13/491049913.db2.gz XJHYKZCZOZPKOR-LPEHRKFASA-N 0 3 173.275 2.465 10 0 AEAEHN CC[C@H](C)N1CC[C@H](C)[C@@H](F)C1 306389802 491049968 /nfs/dbraw/zinc/04/99/68/491049968.db2.gz XJHYKZCZOZPKOR-GUBZILKMSA-N 0 3 173.275 2.465 10 0 AEAEHN CC1CCN(CC2(F)CC2)CC1 306399044 491050151 /nfs/dbraw/zinc/05/01/51/491050151.db2.gz LWCQQWQINGRTOD-UHFFFAOYSA-N 0 3 171.259 2.220 10 0 AEAEHN FC1(CN2CCCC3(CC3)C2)CC1 306629609 491054024 /nfs/dbraw/zinc/05/40/24/491054024.db2.gz KDMIOORZKVNLSP-UHFFFAOYSA-N 0 3 183.270 2.365 10 0 AEAEHN CC1(NCc2cocn2)CCCCC1 306425382 491050872 /nfs/dbraw/zinc/05/08/72/491050872.db2.gz JHRSRINSFBVRGM-UHFFFAOYSA-N 0 3 194.278 2.487 10 0 AEAEHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CC1(C)C 306424669 491050890 /nfs/dbraw/zinc/05/08/90/491050890.db2.gz BWKLONSBDKNYRO-GMSGAONNSA-N 0 3 193.294 2.167 10 0 AEAEHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CC1(C)C 306424671 491050946 /nfs/dbraw/zinc/05/09/46/491050946.db2.gz BWKLONSBDKNYRO-OIBJUYFYSA-N 0 3 193.294 2.167 10 0 AEAEHN CC1(C)[C@H]2CN(CC3(F)CC3)C[C@H]21 306431332 491051008 /nfs/dbraw/zinc/05/10/08/491051008.db2.gz RHUXIZSOMHRIAN-DTORHVGOSA-N 0 3 183.270 2.076 10 0 AEAEHN C[C@H]1CCN(CC2(C)CC2)C[C@@H]1F 306454368 491051344 /nfs/dbraw/zinc/05/13/44/491051344.db2.gz PIMJYPYSIYPCRR-UWVGGRQHSA-N 0 3 185.286 2.466 10 0 AEAEHN CC(C)N1CC[C@H](C)[C@H](F)C1 306453299 491051379 /nfs/dbraw/zinc/05/13/79/491051379.db2.gz XWQHJBCQXDUAGX-DTWKUNHWSA-N 0 3 159.248 2.075 10 0 AEAEHN CC(C)N1CC[C@@H](C)[C@H](F)C1 306453300 491051438 /nfs/dbraw/zinc/05/14/38/491051438.db2.gz XWQHJBCQXDUAGX-RKDXNWHRSA-N 0 3 159.248 2.075 10 0 AEAEHN C[C@@H]1CCN(CC2(C)CC2)C[C@@H]1F 306454370 491051473 /nfs/dbraw/zinc/05/14/73/491051473.db2.gz PIMJYPYSIYPCRR-ZJUUUORDSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@@H]1CCN(CC2(C)CC2)C[C@H]1F 306454367 491051478 /nfs/dbraw/zinc/05/14/78/491051478.db2.gz PIMJYPYSIYPCRR-NXEZZACHSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@H]1CCN(CC2(C)CC2)C[C@H]1F 306454369 491051486 /nfs/dbraw/zinc/05/14/86/491051486.db2.gz PIMJYPYSIYPCRR-VHSXEESVSA-N 0 3 185.286 2.466 10 0 AEAEHN Cc1cncc([C@H](C)N[C@H]2C[C@H]2C)c1 306456541 491051527 /nfs/dbraw/zinc/05/15/27/491051527.db2.gz SSLCWYPQQQFBFL-SCVCMEIPSA-N 0 3 190.290 2.449 10 0 AEAEHN Cc1cncc([C@H](C)N[C@@H]2C[C@@H]2C)c1 306456535 491051531 /nfs/dbraw/zinc/05/15/31/491051531.db2.gz SSLCWYPQQQFBFL-JBLDHEPKSA-N 0 3 190.290 2.449 10 0 AEAEHN Cc1cncc([C@H](C)N[C@H]2C[C@@H]2C)c1 306456539 491051534 /nfs/dbraw/zinc/05/15/34/491051534.db2.gz SSLCWYPQQQFBFL-NHCYSSNCSA-N 0 3 190.290 2.449 10 0 AEAEHN Cc1cncc([C@H](C)N[C@@H]2C[C@H]2C)c1 306456537 491051560 /nfs/dbraw/zinc/05/15/60/491051560.db2.gz SSLCWYPQQQFBFL-JFGNBEQYSA-N 0 3 190.290 2.449 10 0 AEAEHN C[C@@H]1C[C@@H](NCc2ccco2)[C@@H]1C 306488140 491052029 /nfs/dbraw/zinc/05/20/29/491052029.db2.gz KLYWJRPAXQXQHO-FXPVBKGRSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@H]1[C@H](C)C[C@H]1NCc1ccco1 306488142 491052109 /nfs/dbraw/zinc/05/21/09/491052109.db2.gz KLYWJRPAXQXQHO-WCABBAIRSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@@H]1C[C@H](NCc2ccco2)[C@@H]1C 306488141 491052124 /nfs/dbraw/zinc/05/21/24/491052124.db2.gz KLYWJRPAXQXQHO-KKZNHRDASA-N 0 3 179.263 2.414 10 0 AEAEHN CC(C)N1CCC[C@@H](OC(F)F)C1 306923567 491056482 /nfs/dbraw/zinc/05/64/82/491056482.db2.gz GBIACHKJQICHLH-MRVPVSSYSA-N 0 3 193.237 2.098 10 0 AEAEHN CC(C)N1CCC[C@H](OC(F)F)C1 306923568 491056527 /nfs/dbraw/zinc/05/65/27/491056527.db2.gz GBIACHKJQICHLH-QMMMGPOBSA-N 0 3 193.237 2.098 10 0 AEAEHN C[C@H]1CCN(CC2CCC2)C[C@H]1F 306933580 491056801 /nfs/dbraw/zinc/05/68/01/491056801.db2.gz DOHYOXOFWNNFES-GXSJLCMTSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@@H]1CCN(CC2CCC2)C[C@@H]1F 306933582 491056830 /nfs/dbraw/zinc/05/68/30/491056830.db2.gz DOHYOXOFWNNFES-KOLCDFICSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@@H]1CCN(CC2CCC2)C[C@H]1F 306933584 491056861 /nfs/dbraw/zinc/05/68/61/491056861.db2.gz DOHYOXOFWNNFES-MWLCHTKSSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@H]1CCN(CC2CCC2)C[C@@H]1F 306933587 491056875 /nfs/dbraw/zinc/05/68/75/491056875.db2.gz DOHYOXOFWNNFES-ONGXEEELSA-N 0 3 185.286 2.466 10 0 AEAEHN FC1(CN2CCC3(CCC3)C2)CC1 306983071 491057486 /nfs/dbraw/zinc/05/74/86/491057486.db2.gz KDFAWKGBOLLMHE-UHFFFAOYSA-N 0 3 183.270 2.365 10 0 AEAEHN C[C@@H]1CCN(CC2CC2)C[C@H]1F 306994568 491057690 /nfs/dbraw/zinc/05/76/90/491057690.db2.gz NYULRWDXKJWSCT-PSASIEDQSA-N 0 3 171.259 2.076 10 0 AEAEHN C[C@H]1CCN(CC2CC2)C[C@@H]1F 306994571 491057751 /nfs/dbraw/zinc/05/77/51/491057751.db2.gz NYULRWDXKJWSCT-WPRPVWTQSA-N 0 3 171.259 2.076 10 0 AEAEHN C[C@H]1CCN(CC2CC2)C[C@H]1F 306994570 491057783 /nfs/dbraw/zinc/05/77/83/491057783.db2.gz NYULRWDXKJWSCT-WCBMZHEXSA-N 0 3 171.259 2.076 10 0 AEAEHN C[C@@H]1CCN(CC2CC2)C[C@@H]1F 306994569 491057795 /nfs/dbraw/zinc/05/77/95/491057795.db2.gz NYULRWDXKJWSCT-SCZZXKLOSA-N 0 3 171.259 2.076 10 0 AEAEHN Cc1ccoc1CN1CC=CCC1 307060118 491058228 /nfs/dbraw/zinc/05/82/28/491058228.db2.gz CZPKMKXHFHVSEN-UHFFFAOYSA-N 0 3 177.247 2.350 10 0 AEAEHN FC(F)[C@H]1C[C@@H]1NCc1ccccc1 307099316 491058532 /nfs/dbraw/zinc/05/85/32/491058532.db2.gz RWDTUDHXILQAQZ-UWVGGRQHSA-N 0 3 197.228 2.430 10 0 AEAEHN C[C@H]1CC[C@H](NCc2cocn2)CC1 307136005 491058747 /nfs/dbraw/zinc/05/87/47/491058747.db2.gz SNGJJEPFOZMIOD-MGCOHNPYSA-N 0 3 194.278 2.343 10 0 AEAEHN CC1(C)CCN(CC2(F)CC2)C1 307144829 491058894 /nfs/dbraw/zinc/05/88/94/491058894.db2.gz MBMBCZNURQSNBR-UHFFFAOYSA-N 0 3 171.259 2.220 10 0 AEAEHN FC1(F)CC[C@@H](NCC2(F)CC2)C1 307157471 491059021 /nfs/dbraw/zinc/05/90/21/491059021.db2.gz YEYNJBUJBLFOBS-SSDOTTSWSA-N 0 3 193.212 2.266 10 0 AEAEHN FC1(F)CC[C@H](NCC2(F)CC2)C1 307157472 491059046 /nfs/dbraw/zinc/05/90/46/491059046.db2.gz YEYNJBUJBLFOBS-ZETCQYMHSA-N 0 3 193.212 2.266 10 0 AEAEHN CC1=CCN(CC2(F)CC2)CC1 307470565 491062280 /nfs/dbraw/zinc/06/22/80/491062280.db2.gz OGVYXQTXFYUWFK-UHFFFAOYSA-N 0 3 169.243 2.141 10 0 AEAEHN CCCN1CC[C@H](C)[C@H](F)C1 307512935 491063206 /nfs/dbraw/zinc/06/32/06/491063206.db2.gz FHQQPDXRMRYJMY-DTWKUNHWSA-N 0 3 159.248 2.076 10 0 AEAEHN CCCN1CC[C@H](C)[C@@H](F)C1 307512936 491063222 /nfs/dbraw/zinc/06/32/22/491063222.db2.gz FHQQPDXRMRYJMY-IUCAKERBSA-N 0 3 159.248 2.076 10 0 AEAEHN CCCN1CC[C@@H](C)[C@H](F)C1 307512937 491063259 /nfs/dbraw/zinc/06/32/59/491063259.db2.gz FHQQPDXRMRYJMY-RKDXNWHRSA-N 0 3 159.248 2.076 10 0 AEAEHN CCCN1CC[C@@H](C)[C@@H](F)C1 307512934 491063279 /nfs/dbraw/zinc/06/32/79/491063279.db2.gz FHQQPDXRMRYJMY-BDAKNGLRSA-N 0 3 159.248 2.076 10 0 AEAEHN CC(C)=CCNCC1(F)CC1 307558700 491063966 /nfs/dbraw/zinc/06/39/66/491063966.db2.gz DOPHAQIGVMEKOA-UHFFFAOYSA-N 0 3 157.232 2.044 10 0 AEAEHN CC[C@H](C)N(C)CC1(F)CC1 307631904 491065871 /nfs/dbraw/zinc/06/58/71/491065871.db2.gz ZRYRYCWRLVJBLV-QMMMGPOBSA-N 0 3 159.248 2.219 10 0 AEAEHN CC[C@@H](C)N(C)CC1(F)CC1 307631903 491065880 /nfs/dbraw/zinc/06/58/80/491065880.db2.gz ZRYRYCWRLVJBLV-MRVPVSSYSA-N 0 3 159.248 2.219 10 0 AEAEHN CC(C)CN(C)CC1(F)CC1 307665094 491066985 /nfs/dbraw/zinc/06/69/85/491066985.db2.gz AOYLKVVPOXCXIQ-UHFFFAOYSA-N 0 3 159.248 2.076 10 0 AEAEHN CC1(C)CC(NCc2ccccn2)C1 307695938 491068066 /nfs/dbraw/zinc/06/80/66/491068066.db2.gz JRPVPFMIXHZDPO-UHFFFAOYSA-N 0 3 190.290 2.360 10 0 AEAEHN FC1(CN2C3CCC2CC3)CC1 307699564 491068454 /nfs/dbraw/zinc/06/84/54/491068454.db2.gz KLISZVGENQHKQM-UHFFFAOYSA-N 0 3 169.243 2.115 10 0 AEAEHN C[C@@H]1CCN(CCCF)C[C@@H]1F 307742811 491069618 /nfs/dbraw/zinc/06/96/18/491069618.db2.gz LDUIUFBUDDRLOO-BDAKNGLRSA-N 0 3 177.238 2.026 10 0 AEAEHN CC[C@@H]1CN([C@H](C)CC)C[C@@H](C)O1 307744651 491069734 /nfs/dbraw/zinc/06/97/34/491069734.db2.gz PHWMZQPVOJUXIY-GMTAPVOTSA-N 0 3 185.311 2.284 10 0 AEAEHN C[C@@H]1CCN(CCCF)C[C@H]1F 307742814 491069748 /nfs/dbraw/zinc/06/97/48/491069748.db2.gz LDUIUFBUDDRLOO-RKDXNWHRSA-N 0 3 177.238 2.026 10 0 AEAEHN C[C@H]1CCN(CCCF)C[C@@H]1F 307742813 491069812 /nfs/dbraw/zinc/06/98/12/491069812.db2.gz LDUIUFBUDDRLOO-IUCAKERBSA-N 0 3 177.238 2.026 10 0 AEAEHN CC[C@H](C)N1C[C@@H](C)O[C@H](CC)C1 307744652 491069844 /nfs/dbraw/zinc/06/98/44/491069844.db2.gz PHWMZQPVOJUXIY-HBNTYKKESA-N 0 3 185.311 2.284 10 0 AEAEHN CC[C@H](C)N1C[C@H](C)O[C@H](CC)C1 307744650 491069865 /nfs/dbraw/zinc/06/98/65/491069865.db2.gz PHWMZQPVOJUXIY-GARJFASQSA-N 0 3 185.311 2.284 10 0 AEAEHN CC[C@@H]1CN([C@H](C)CC)C[C@H](C)O1 307744653 491069890 /nfs/dbraw/zinc/06/98/90/491069890.db2.gz PHWMZQPVOJUXIY-OUAUKWLOSA-N 0 3 185.311 2.284 10 0 AEAEHN C[C@H]1CCN(CCCF)C[C@H]1F 307742812 491069896 /nfs/dbraw/zinc/06/98/96/491069896.db2.gz LDUIUFBUDDRLOO-DTWKUNHWSA-N 0 3 177.238 2.026 10 0 AEAEHN CCCCN(C)CC1(F)CC1 307861086 491070746 /nfs/dbraw/zinc/07/07/46/491070746.db2.gz GXLLWHIDNLVLPN-UHFFFAOYSA-N 0 3 159.248 2.220 10 0 AEAEHN CC[C@@H](C)CN(C)CC1(F)CC1 307961221 491073100 /nfs/dbraw/zinc/07/31/00/491073100.db2.gz XBHWPAYYPHSDSQ-SECBINFHSA-N 0 3 173.275 2.466 10 0 AEAEHN CC[C@H](C)CN(C)CC1(F)CC1 307961224 491073132 /nfs/dbraw/zinc/07/31/32/491073132.db2.gz XBHWPAYYPHSDSQ-VIFPVBQESA-N 0 3 173.275 2.466 10 0 AEAEHN CCC[C@@H]1C[C@@H]1NCC1(F)CC1 307966443 491073425 /nfs/dbraw/zinc/07/34/25/491073425.db2.gz CGYHSZOXWBLKAL-BDAKNGLRSA-N 0 3 171.259 2.267 10 0 AEAEHN CCC[C@H]1C[C@H]1NCC1(F)CC1 307966444 491073465 /nfs/dbraw/zinc/07/34/65/491073465.db2.gz CGYHSZOXWBLKAL-DTWKUNHWSA-N 0 3 171.259 2.267 10 0 AEAEHN CCC[C@H]1C[C@@H]1NCC1(F)CC1 307966635 491073511 /nfs/dbraw/zinc/07/35/11/491073511.db2.gz CGYHSZOXWBLKAL-IUCAKERBSA-N 0 3 171.259 2.267 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCC1(F)CC1 307966636 491073547 /nfs/dbraw/zinc/07/35/47/491073547.db2.gz CGYHSZOXWBLKAL-RKDXNWHRSA-N 0 3 171.259 2.267 10 0 AEAEHN C/C=C\CN[C@H](C)c1cccnc1 308108195 491078214 /nfs/dbraw/zinc/07/82/14/491078214.db2.gz QTBYIRRNLBUXTO-UMBAGQNISA-N 0 3 176.263 2.308 10 0 AEAEHN C/C=C\CN[C@H](C)c1ccccn1 308101738 491078229 /nfs/dbraw/zinc/07/82/29/491078229.db2.gz HYGSOAWSQNSGDG-UMBAGQNISA-N 0 3 176.263 2.308 10 0 AEAEHN C/C=C\CN[C@@H](C)c1cccnc1 308108196 491078312 /nfs/dbraw/zinc/07/83/12/491078312.db2.gz QTBYIRRNLBUXTO-XOULXFPDSA-N 0 3 176.263 2.308 10 0 AEAEHN C/C=C\CN[C@@H](C)c1ccccn1 308101742 491078418 /nfs/dbraw/zinc/07/84/18/491078418.db2.gz HYGSOAWSQNSGDG-XOULXFPDSA-N 0 3 176.263 2.308 10 0 AEAEHN C/C=C\CN[C@@H](C)c1ccncc1 308104107 491078428 /nfs/dbraw/zinc/07/84/28/491078428.db2.gz KSJRLBSWVQEYDE-XOULXFPDSA-N 0 3 176.263 2.308 10 0 AEAEHN CC(C)=CCN[C@H](C)c1cn[nH]c1 308128967 491079013 /nfs/dbraw/zinc/07/90/13/491079013.db2.gz AWZZNVXDIIOEBK-SECBINFHSA-N 0 3 179.267 2.027 10 0 AEAEHN CC(C)=CCN[C@@H](C)c1cn[nH]c1 308128970 491079030 /nfs/dbraw/zinc/07/90/30/491079030.db2.gz AWZZNVXDIIOEBK-VIFPVBQESA-N 0 3 179.267 2.027 10 0 AEAEHN CCCN(C)Cc1cncc(F)c1 308174600 491082741 /nfs/dbraw/zinc/08/27/41/491082741.db2.gz CSAGSZDHFWAGPO-UHFFFAOYSA-N 0 3 182.242 2.063 10 0 AEAEHN CCCCOCCN1CC=CCC1 308211117 491084563 /nfs/dbraw/zinc/08/45/63/491084563.db2.gz GNYOLTBGMDJKSN-UHFFFAOYSA-N 0 3 183.295 2.065 10 0 AEAEHN CCCN1CCC[C@H](OC(F)F)C1 308244974 491087172 /nfs/dbraw/zinc/08/71/72/491087172.db2.gz UXVOIDUNJOVHCP-QMMMGPOBSA-N 0 3 193.237 2.100 10 0 AEAEHN CCCN1CCC[C@@H](OC(F)F)C1 308244973 491087277 /nfs/dbraw/zinc/08/72/77/491087277.db2.gz UXVOIDUNJOVHCP-MRVPVSSYSA-N 0 3 193.237 2.100 10 0 AEAEHN CC(C)N(Cc1ccno1)C(C)C 308249319 491088154 /nfs/dbraw/zinc/08/81/54/491088154.db2.gz GWAXQWNFVKBWFO-UHFFFAOYSA-N 0 3 182.267 2.293 10 0 AEAEHN COCC1(N(C)CC=C(C)C)CC1 308252900 491088848 /nfs/dbraw/zinc/08/88/48/491088848.db2.gz GVGDHNPWOIVUHA-UHFFFAOYSA-N 0 3 183.295 2.063 10 0 AEAEHN C[C@@H]1CCN(CCCCF)C[C@@H]1F 308273808 491091261 /nfs/dbraw/zinc/09/12/61/491091261.db2.gz UGSDOLRUFCJXIM-ZJUUUORDSA-N 0 3 191.265 2.416 10 0 AEAEHN C[C@H]1CCN(CCCCF)C[C@@H]1F 308273806 491091270 /nfs/dbraw/zinc/09/12/70/491091270.db2.gz UGSDOLRUFCJXIM-UWVGGRQHSA-N 0 3 191.265 2.416 10 0 AEAEHN C[C@@H]1CCN(CCCCF)C[C@H]1F 308273805 491091335 /nfs/dbraw/zinc/09/13/35/491091335.db2.gz UGSDOLRUFCJXIM-NXEZZACHSA-N 0 3 191.265 2.416 10 0 AEAEHN C[C@H]1CCN(CCCCF)C[C@H]1F 308273807 491091377 /nfs/dbraw/zinc/09/13/77/491091377.db2.gz UGSDOLRUFCJXIM-VHSXEESVSA-N 0 3 191.265 2.416 10 0 AEAEHN CCC(C)(C)N(C)Cc1cc[nH]n1 308296744 491094087 /nfs/dbraw/zinc/09/40/87/491094087.db2.gz KGPAFMYZYUPXLT-UHFFFAOYSA-N 0 3 181.283 2.030 10 0 AEAEHN CCC(C)(CC)NCc1ccon1 308297975 491094208 /nfs/dbraw/zinc/09/42/08/491094208.db2.gz KRBFTWJJMVUBAT-UHFFFAOYSA-N 0 3 182.267 2.343 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCOC(C)(C)C 308335707 491098037 /nfs/dbraw/zinc/09/80/37/491098037.db2.gz NWXCJUUYWUUNPL-NXEZZACHSA-N 0 3 185.311 2.284 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCOC(C)(C)C 308335708 491098076 /nfs/dbraw/zinc/09/80/76/491098076.db2.gz NWXCJUUYWUUNPL-UWVGGRQHSA-N 0 3 185.311 2.284 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCOC(C)(C)C 308335706 491097971 /nfs/dbraw/zinc/09/79/71/491097971.db2.gz NWXCJUUYWUUNPL-AOOOYVTPSA-N 0 3 185.311 2.284 10 0 AEAEHN CCC[C@H](C)CN1CCOC[C@H]1C 308374100 491099334 /nfs/dbraw/zinc/09/93/34/491099334.db2.gz RKEKGPXBLDWHQK-WDEREUQCSA-N 0 3 185.311 2.143 10 0 AEAEHN CCC[C@@H](C)CN1CCOC[C@H]1C 308374098 491099342 /nfs/dbraw/zinc/09/93/42/491099342.db2.gz RKEKGPXBLDWHQK-GHMZBOCLSA-N 0 3 185.311 2.143 10 0 AEAEHN FC1(CNCCc2ccsc2)CC1 308396069 491100989 /nfs/dbraw/zinc/10/09/89/491100989.db2.gz DMNXXGBWNWPPPA-UHFFFAOYSA-N 0 3 199.294 2.382 10 0 AEAEHN Cc1cccnc1SCCN(C)C 308402144 491101480 /nfs/dbraw/zinc/10/14/80/491101480.db2.gz HNMYXVZNQQNXTD-UHFFFAOYSA-N 0 3 196.319 2.044 10 0 AEAEHN CCCCCN(C(C)C)C1COC1 308446549 491104910 /nfs/dbraw/zinc/10/49/10/491104910.db2.gz BIWLGGFFYGFTJW-UHFFFAOYSA-N 0 3 185.311 2.286 10 0 AEAEHN CCC(C)(CC)NCc1cn(C)cn1 308494206 491107636 /nfs/dbraw/zinc/10/76/36/491107636.db2.gz BEKYSBMWGDPIER-UHFFFAOYSA-N 0 3 195.310 2.088 10 0 AEAEHN CCCCN[C@H](CO)c1ccsc1 308503006 491108635 /nfs/dbraw/zinc/10/86/35/491108635.db2.gz XVGMYUHYXCUAQW-SNVBAGLBSA-N 0 3 199.319 2.171 10 0 AEAEHN CCCCN[C@@H](CO)c1ccsc1 308503005 491108711 /nfs/dbraw/zinc/10/87/11/491108711.db2.gz XVGMYUHYXCUAQW-JTQLQIEISA-N 0 3 199.319 2.171 10 0 AEAEHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccoc1 308502039 491108799 /nfs/dbraw/zinc/10/87/99/491108799.db2.gz HAVZFGDKQOGZBN-AEJSXWLSSA-N 0 3 197.278 2.354 10 0 AEAEHN FC1(CNCCc2ccccc2)CC1 308531089 491110542 /nfs/dbraw/zinc/11/05/42/491110542.db2.gz ZYGZZUUQHVFNBM-UHFFFAOYSA-N 0 3 193.265 2.321 10 0 AEAEHN CCC(C)(CC)NCc1n[nH]cc1C 308553374 491111545 /nfs/dbraw/zinc/11/15/45/491111545.db2.gz YJHXRRRWCLAJNF-UHFFFAOYSA-N 0 3 195.310 2.386 10 0 AEAEHN C[C@@H]1CC[C@@H](CNCc2cocn2)C1 308572679 491112228 /nfs/dbraw/zinc/11/22/28/491112228.db2.gz LDFGENDGXIZHNT-NXEZZACHSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@@H]1CC[C@H](CNCc2cocn2)C1 308572684 491112267 /nfs/dbraw/zinc/11/22/67/491112267.db2.gz LDFGENDGXIZHNT-ZJUUUORDSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@H]1CC[C@@H](CNCc2cocn2)C1 308572681 491112321 /nfs/dbraw/zinc/11/23/21/491112321.db2.gz LDFGENDGXIZHNT-VHSXEESVSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@H]1CC[C@H](CNCc2cocn2)C1 308572680 491112323 /nfs/dbraw/zinc/11/23/23/491112323.db2.gz LDFGENDGXIZHNT-UWVGGRQHSA-N 0 3 194.278 2.200 10 0 AEAEHN C[C@@H](CNCCF)Cc1ccccc1 308634567 491115187 /nfs/dbraw/zinc/11/51/87/491115187.db2.gz BYRWZXHIVHYELR-LLVKDONJSA-N 0 3 195.281 2.424 10 0 AEAEHN C[C@H](CNCCF)Cc1ccccc1 308634569 491115272 /nfs/dbraw/zinc/11/52/72/491115272.db2.gz BYRWZXHIVHYELR-NSHDSACASA-N 0 3 195.281 2.424 10 0 AEAEHN Cc1cc(CNCC2(C)CCC2)on1 308658274 491116268 /nfs/dbraw/zinc/11/62/68/491116268.db2.gz OMXNUHNEVYGCLN-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN C[C@H](NCC[C@@H](C)F)c1cccnc1 308678560 491117311 /nfs/dbraw/zinc/11/73/11/491117311.db2.gz WZTRLYVQMJHBHK-ZJUUUORDSA-N 0 3 196.269 2.480 10 0 AEAEHN C[C@H](F)CCN[C@@H](C)c1cccnc1 308678558 491117359 /nfs/dbraw/zinc/11/73/59/491117359.db2.gz WZTRLYVQMJHBHK-UWVGGRQHSA-N 0 3 196.269 2.480 10 0 AEAEHN C[C@@H](F)CCN[C@H](C)c1cccnc1 308678557 491117397 /nfs/dbraw/zinc/11/73/97/491117397.db2.gz WZTRLYVQMJHBHK-NXEZZACHSA-N 0 3 196.269 2.480 10 0 AEAEHN C[C@H](F)CCN[C@H](C)c1cccnc1 308678559 491117437 /nfs/dbraw/zinc/11/74/37/491117437.db2.gz WZTRLYVQMJHBHK-VHSXEESVSA-N 0 3 196.269 2.480 10 0 AEAEHN CC[C@H]1CC[C@@H]1NCc1ccccn1 308715823 491117768 /nfs/dbraw/zinc/11/77/68/491117768.db2.gz BCCVNFFFBAWIEQ-JQWIXIFHSA-N 0 3 190.290 2.360 10 0 AEAEHN CC[C@H]1CC[C@H]1NCc1ccccn1 308715821 491117801 /nfs/dbraw/zinc/11/78/01/491117801.db2.gz BCCVNFFFBAWIEQ-CMPLNLGQSA-N 0 3 190.290 2.360 10 0 AEAEHN CC[C@@H]1CC[C@@H]1NCc1ccccn1 308715825 491117803 /nfs/dbraw/zinc/11/78/03/491117803.db2.gz BCCVNFFFBAWIEQ-PWSUYJOCSA-N 0 3 190.290 2.360 10 0 AEAEHN CC[C@@H]1CC[C@H]1NCc1ccccn1 308715826 491117843 /nfs/dbraw/zinc/11/78/43/491117843.db2.gz BCCVNFFFBAWIEQ-ZYHUDNBSSA-N 0 3 190.290 2.360 10 0 AEAEHN Cc1ccc(CCNCC2(F)CC2)o1 308735328 491118377 /nfs/dbraw/zinc/11/83/77/491118377.db2.gz LAFBJOSRDGNRPJ-UHFFFAOYSA-N 0 3 197.253 2.222 10 0 AEAEHN COc1cnccc1[C@H](C)NC(C)C 308741560 491118614 /nfs/dbraw/zinc/11/86/14/491118614.db2.gz OYGRTOGRGQINHJ-VIFPVBQESA-N 0 3 194.278 2.149 10 0 AEAEHN COc1cnccc1[C@@H](C)NC(C)C 308741559 491118652 /nfs/dbraw/zinc/11/86/52/491118652.db2.gz OYGRTOGRGQINHJ-SECBINFHSA-N 0 3 194.278 2.149 10 0 AEAEHN Cc1cc(F)cc2c(CN)nccc12 521402021 491119906 /nfs/dbraw/zinc/11/99/06/491119906.db2.gz SNWPWIWEUDJUET-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN CC(C)N(Cc1c[nH]cn1)C(C)C 197757553 1188783614 /nfs/dbraw/zinc/78/36/14/1188783614.db2.gz HVILPEQHJSUBPI-UHFFFAOYSA-N 0 3 181.283 2.029 10 0 AEAEHN CC(C)C[C@@H](C)Oc1ccnc(N)c1 227669315 1188788430 /nfs/dbraw/zinc/78/84/30/1188788430.db2.gz ZKPLQCRNGSRVJI-SECBINFHSA-N 0 3 194.278 2.477 10 0 AEAEHN CC(C)C[C@H](C)Oc1ccnc(N)c1 227669320 1188789259 /nfs/dbraw/zinc/78/92/59/1188789259.db2.gz ZKPLQCRNGSRVJI-VIFPVBQESA-N 0 3 194.278 2.477 10 0 AEAEHN Cc1ccnc(CN(C)C(C)C)c1 306293246 1188797706 /nfs/dbraw/zinc/79/77/06/1188797706.db2.gz WPWGBCFWZGEENN-UHFFFAOYSA-N 0 3 178.279 2.230 10 0 AEAEHN CCN(C)[C@@H](C)CC(F)(F)F 307671472 1188807944 /nfs/dbraw/zinc/80/79/44/1188807944.db2.gz TYYSABZABHVCRV-LURJTMIESA-N 0 3 169.190 2.279 10 0 AEAEHN CCN(C)[C@H](C)CC(F)(F)F 307671473 1188807969 /nfs/dbraw/zinc/80/79/69/1188807969.db2.gz TYYSABZABHVCRV-ZCFIWIBFSA-N 0 3 169.190 2.279 10 0 AEAEHN C(=C/C1CC1)\CNCc1ccoc1 382158645 1188819732 /nfs/dbraw/zinc/81/97/32/1188819732.db2.gz SDHRFRDPCHWZES-OWOJBTEDSA-N 0 3 177.247 2.335 10 0 AEAEHN C(=C\C1CC1)\CNCc1ccoc1 382158646 1188819746 /nfs/dbraw/zinc/81/97/46/1188819746.db2.gz SDHRFRDPCHWZES-UPHRSURJSA-N 0 3 177.247 2.335 10 0 AEAEHN CC(F)(F)CCNCc1ccoc1 393635018 1188821738 /nfs/dbraw/zinc/82/17/38/1188821738.db2.gz MELNOCLNGZFSAZ-UHFFFAOYSA-N 0 3 189.205 2.415 10 0 AEAEHN CC(C)OC1CN([C@@H](C)CC2CC2)C1 1258471543 1188833833 /nfs/dbraw/zinc/83/38/33/1188833833.db2.gz DOOJHCNKPLWDMW-JTQLQIEISA-N 0 3 197.322 2.284 10 0 AEAEHN CC(C)OC1CN([C@H](C)CC2CC2)C1 1258471546 1188833949 /nfs/dbraw/zinc/83/39/49/1188833949.db2.gz DOOJHCNKPLWDMW-SNVBAGLBSA-N 0 3 197.322 2.284 10 0 AEAEHN CCCCOCCNCc1ccoc1 53588466 697621947 /nfs/dbraw/zinc/62/19/47/697621947.db2.gz YOMIMHCWZOFKBZ-UHFFFAOYSA-N 0 3 197.278 2.186 10 0 AEAEHN CC(C)(C)OCCNCc1ccoc1 53584464 697622047 /nfs/dbraw/zinc/62/20/47/697622047.db2.gz CHJKNNDLSQTGMX-UHFFFAOYSA-N 0 3 197.278 2.184 10 0 AEAEHN C[C@H](N[C@@H](C)C1(C)CC1)c1ncc[nH]1 124761947 697639234 /nfs/dbraw/zinc/63/92/34/697639234.db2.gz YEWNNCVDTMPMGP-IUCAKERBSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@@H](N[C@H](C)C1(C)CC1)c1ncc[nH]1 124762531 697639431 /nfs/dbraw/zinc/63/94/31/697639431.db2.gz YEWNNCVDTMPMGP-RKDXNWHRSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@H](N[C@H](C)C1(C)CC1)c1ncc[nH]1 124762323 697639447 /nfs/dbraw/zinc/63/94/47/697639447.db2.gz YEWNNCVDTMPMGP-DTWKUNHWSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@H](N[C@H](C)c1ncc[nH]1)C1(C)CC1 124762130 697639455 /nfs/dbraw/zinc/63/94/55/697639455.db2.gz YEWNNCVDTMPMGP-BDAKNGLRSA-N 0 3 193.294 2.249 10 0 AEAEHN CCOC(C)(C)CNCc1ccoc1 166950337 697674856 /nfs/dbraw/zinc/67/48/56/697674856.db2.gz KWFHIBPCXJOJRT-UHFFFAOYSA-N 0 3 197.278 2.184 10 0 AEAEHN CC1(C2CC2)CCN(CCF)CC1 306767125 697733576 /nfs/dbraw/zinc/73/35/76/697733576.db2.gz XPKPUCIQRASPRR-UHFFFAOYSA-N 0 3 185.286 2.468 10 0 AEAEHN CCN(Cc1ccoc1)C1CC1 308038354 697755499 /nfs/dbraw/zinc/75/54/99/697755499.db2.gz LTQWKEZEUOMURR-UHFFFAOYSA-N 0 3 165.236 2.264 10 0 AEAEHN CCCCCCN1CCOC[C@H]1C 308286698 697764866 /nfs/dbraw/zinc/76/48/66/697764866.db2.gz CDRNKTCEQFJCQI-LLVKDONJSA-N 0 3 185.311 2.287 10 0 AEAEHN CC[C@@H]1CCN1C/C=C\Cl 378972587 697796177 /nfs/dbraw/zinc/79/61/77/697796177.db2.gz GTAHDRZLDSHRSV-QIUOEGRZSA-N 0 3 159.660 2.223 10 0 AEAEHN CC[C@H]1CCN1C/C=C\Cl 378972586 697796376 /nfs/dbraw/zinc/79/63/76/697796376.db2.gz GTAHDRZLDSHRSV-NHLYECAPSA-N 0 3 159.660 2.223 10 0 AEAEHN Cl/C=C\CN1CCCSCC1 379240739 697801096 /nfs/dbraw/zinc/80/10/96/697801096.db2.gz WPUMIMGQVJLRBD-IWQZZHSRSA-N 0 3 191.727 2.178 10 0 AEAEHN C/C=C\CNCc1cnc(C)s1 379317985 697811929 /nfs/dbraw/zinc/81/19/29/697811929.db2.gz IQZKGADQWGVOQL-ARJAWSKDSA-N 0 3 182.292 2.117 10 0 AEAEHN CO[C@@H](CNCc1ccoc1)C(C)C 379564794 697899639 /nfs/dbraw/zinc/89/96/39/697899639.db2.gz BELMYIWTGZOISD-NSHDSACASA-N 0 3 197.278 2.040 10 0 AEAEHN CO[C@H](CNCc1ccoc1)C(C)C 379564793 697899709 /nfs/dbraw/zinc/89/97/09/697899709.db2.gz BELMYIWTGZOISD-LLVKDONJSA-N 0 3 197.278 2.040 10 0 AEAEHN C[C@@H](NCC1(C)CCC1)c1ncc[nH]1 379596414 697903565 /nfs/dbraw/zinc/90/35/65/697903565.db2.gz FPKBXGGIIYSIFA-SECBINFHSA-N 0 3 193.294 2.251 10 0 AEAEHN C[C@H](NCC1(C)CCC1)c1ncc[nH]1 379596416 697903696 /nfs/dbraw/zinc/90/36/96/697903696.db2.gz FPKBXGGIIYSIFA-VIFPVBQESA-N 0 3 193.294 2.251 10 0 AEAEHN CCOCC(C)(C)NCc1ccoc1 382020673 697917630 /nfs/dbraw/zinc/91/76/30/697917630.db2.gz QAUPCGHWCTWEGT-UHFFFAOYSA-N 0 3 197.278 2.184 10 0 AEAEHN CC/C=C/CNCc1ccoc1 384762158 697930649 /nfs/dbraw/zinc/93/06/49/697930649.db2.gz ASIKDPVOBFHELN-ONEGZZNKSA-N 0 3 165.236 2.335 10 0 AEAEHN CC/C=C\CNCc1ccoc1 384762148 697930788 /nfs/dbraw/zinc/93/07/88/697930788.db2.gz ASIKDPVOBFHELN-ARJAWSKDSA-N 0 3 165.236 2.335 10 0 AEAEHN C/C=C/C[NH2+]Cc1ccc([O-])c(F)c1 384972823 697932781 /nfs/dbraw/zinc/93/27/81/697932781.db2.gz IPNQXOPFDZSJMI-NSCUHMNNSA-N 0 3 195.237 2.197 10 0 AEAEHN C/C=C\C[NH2+]Cc1ccc([O-])c(F)c1 384972821 697932789 /nfs/dbraw/zinc/93/27/89/697932789.db2.gz IPNQXOPFDZSJMI-IHWYPQMZSA-N 0 3 195.237 2.197 10 0 AEAEHN CC(C)CCN(CCF)C1CC1 388395179 697959399 /nfs/dbraw/zinc/95/93/99/697959399.db2.gz HFZJHSARGRYHQR-UHFFFAOYSA-N 0 3 173.275 2.466 10 0 AEAEHN CCCCCCN1CCOC[C@@H]1C 388752682 697992462 /nfs/dbraw/zinc/99/24/62/697992462.db2.gz CDRNKTCEQFJCQI-NSHDSACASA-N 0 3 185.311 2.287 10 0 AEAEHN CC1(CNCc2cccnc2F)CC1 389287757 698007933 /nfs/dbraw/zinc/00/79/33/698007933.db2.gz WZMBTTBESZHAKI-UHFFFAOYSA-N 0 3 194.253 2.110 10 0 AEAEHN Cc1cc(CNCCC2CCC2)on1 389365208 698009785 /nfs/dbraw/zinc/00/97/85/698009785.db2.gz URTLBEKMVYNMCN-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN Cc1ncc(CN[C@@H](C)C2(C)CC2)o1 397918219 698040342 /nfs/dbraw/zinc/04/03/42/698040342.db2.gz OLLISJUFHAPEDI-QMMMGPOBSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1ncc(CN[C@H](C)C2(C)CC2)o1 397918218 698040410 /nfs/dbraw/zinc/04/04/10/698040410.db2.gz OLLISJUFHAPEDI-MRVPVSSYSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1ncc(CNCCC2CCC2)o1 398833393 698042869 /nfs/dbraw/zinc/04/28/69/698042869.db2.gz YLWFSQHSXXBFER-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN COC(C)(C)CNCc1cc(C)co1 718131685 698065694 /nfs/dbraw/zinc/06/56/94/698065694.db2.gz GFYHFHFQHYLRPZ-UHFFFAOYSA-N 0 3 197.278 2.103 10 0 AEAEHN COCC(C)(C)NCc1cc(C)co1 718132213 698065753 /nfs/dbraw/zinc/06/57/53/698065753.db2.gz ISGGRTWGTPZYSC-UHFFFAOYSA-N 0 3 197.278 2.103 10 0 AEAEHN CC[C@H](COC)NCc1cc(C)co1 718136664 698066256 /nfs/dbraw/zinc/06/62/56/698066256.db2.gz VNWFGLDOVWWREP-SNVBAGLBSA-N 0 3 197.278 2.103 10 0 AEAEHN CCOC[C@H](C)NCc1cc(C)co1 718135058 698066380 /nfs/dbraw/zinc/06/63/80/698066380.db2.gz PJSSLASJWOTKTM-JTQLQIEISA-N 0 3 197.278 2.103 10 0 AEAEHN CC[C@@H](COC)NCc1cc(C)co1 718136662 698066466 /nfs/dbraw/zinc/06/64/66/698066466.db2.gz VNWFGLDOVWWREP-JTQLQIEISA-N 0 3 197.278 2.103 10 0 AEAEHN CC[C@H](CNCc1cc(C)co1)OC 718136728 698066478 /nfs/dbraw/zinc/06/64/78/698066478.db2.gz XAVDCIVFHWMXHL-SNVBAGLBSA-N 0 3 197.278 2.103 10 0 AEAEHN CC[C@@H](CNCc1cc(C)co1)OC 718136727 698066574 /nfs/dbraw/zinc/06/65/74/698066574.db2.gz XAVDCIVFHWMXHL-JTQLQIEISA-N 0 3 197.278 2.103 10 0 AEAEHN CCCCN(C)Cc1[nH]c(C)nc1C 724780604 698077356 /nfs/dbraw/zinc/07/73/56/698077356.db2.gz DQXNYBMTHRHUCW-UHFFFAOYSA-N 0 3 195.310 2.258 10 0 AEAEHN Cc1ccc(CN2CCC2(C)C)cn1 765590760 698090092 /nfs/dbraw/zinc/09/00/92/698090092.db2.gz OSZPJLUWFSBINT-UHFFFAOYSA-N 0 3 190.290 2.374 10 0 AEAEHN COC(C)(C)CN(C)Cc1ccoc1 770330365 698093446 /nfs/dbraw/zinc/09/34/46/698093446.db2.gz IQMAXPFZKSHDSV-UHFFFAOYSA-N 0 3 197.278 2.136 10 0 AEAEHN CCN(Cc1cc(C)ncn1)C(C)C 794289978 698097807 /nfs/dbraw/zinc/09/78/07/698097807.db2.gz WWSITCOAZQWKEP-UHFFFAOYSA-N 0 3 193.294 2.015 10 0 AEAEHN CCCCN(C)Cc1ccnc(F)c1 859056747 698134021 /nfs/dbraw/zinc/13/40/21/698134021.db2.gz YOOSJCPMJHLJGA-UHFFFAOYSA-N 0 3 196.269 2.453 10 0 AEAEHN N=C1CCCCN1c1cccnc1 49583848 132192381 /nfs/dbraw/zinc/19/23/81/132192381.db2.gz SQRMHPFGIFQMKK-UHFFFAOYSA-N 0 3 175.235 2.049 10 0 AEAEHN C[C@H](N)c1ccc([C@H]2C[C@H]2C)o1 251777295 133424330 /nfs/dbraw/zinc/42/43/30/133424330.db2.gz FIXRCZFOHYWZHF-CSMHCCOUSA-N 0 3 165.236 2.423 10 0 AEAEHN CC[C@H]1CO[C@H](c2ccccc2)CN1 1656358 342954812 /nfs/dbraw/zinc/95/48/12/342954812.db2.gz VKCOXHBUQIUVSF-RYUDHWBXSA-N 0 3 191.274 2.126 10 0 AEAEHN CC[C@@H]1CO[C@@H](c2ccccc2)CN1 1656357 342954885 /nfs/dbraw/zinc/95/48/85/342954885.db2.gz VKCOXHBUQIUVSF-VXGBXAGGSA-N 0 3 191.274 2.126 10 0 AEAEHN N=C1CCSc2ccccc2N1 5602428 343005520 /nfs/dbraw/zinc/00/55/20/343005520.db2.gz QRDGQTGQFSOTOP-UHFFFAOYSA-N 0 3 178.260 2.171 10 0 AEAEHN C[C@@]1(Cc2ccccc2)NCCS1 6067391 343011994 /nfs/dbraw/zinc/01/19/94/343011994.db2.gz XFDASTCBLDRQCF-LLVKDONJSA-N 0 3 193.315 2.282 10 0 AEAEHN CCCC[C@@]1(C)NCCS1 5831466 343009161 /nfs/dbraw/zinc/00/91/61/343009161.db2.gz FRQZYPALTIYXIY-QMMMGPOBSA-N 0 3 159.298 2.229 10 0 AEAEHN CC[C@@H](N)c1nc2c(s1)CCCC2 11631733 343023519 /nfs/dbraw/zinc/02/35/19/343023519.db2.gz LDPCYQSANSTYIO-SSDOTTSWSA-N 0 3 196.319 2.432 10 0 AEAEHN CC[C@H](N)c1nc2c(s1)CCC2 11631732 343023526 /nfs/dbraw/zinc/02/35/26/343023526.db2.gz PZYOYDYCCGKDPJ-LURJTMIESA-N 0 3 182.292 2.042 10 0 AEAEHN CCc1csc([C@@H]2CCCN2)n1 11631961 343023530 /nfs/dbraw/zinc/02/35/30/343023530.db2.gz KQCVVAIJNFZZMV-QMMMGPOBSA-N 0 3 182.292 2.130 10 0 AEAEHN CC(C)[C@@H](N)c1nc2c(s1)CCC2 11631793 343023559 /nfs/dbraw/zinc/02/35/59/343023559.db2.gz PXVMMDIRHNLITA-SECBINFHSA-N 0 3 196.319 2.288 10 0 AEAEHN CCc1csc([C@H](N)CC)n1 11631723 343023567 /nfs/dbraw/zinc/02/35/67/343023567.db2.gz DTVSACIKYAUVJC-SSDOTTSWSA-N 0 3 170.281 2.115 10 0 AEAEHN C[C@H]([NH2+]C1CC1)c1ccc([O-])c(F)c1 20551059 343074407 /nfs/dbraw/zinc/07/44/07/343074407.db2.gz BDKIUQMNXUYHCR-ZETCQYMHSA-N 0 3 195.237 2.344 10 0 AEAEHN Cc1ccc(-c2c[nH]c(N)n2)c(C)c1 31891126 343094163 /nfs/dbraw/zinc/09/41/63/343094163.db2.gz LBEMRJDOXXMOMK-UHFFFAOYSA-N 0 3 187.246 2.276 10 0 AEAEHN CN1CC[C@H]1c1ccccc1 32137721 343098116 /nfs/dbraw/zinc/09/81/16/343098116.db2.gz RNZMCZCIMIXBAA-JTQLQIEISA-N 0 3 147.221 2.063 10 0 AEAEHN CN(C)[C@H]1CCCc2ccc(O)cc21 33645070 343105847 /nfs/dbraw/zinc/10/58/47/343105847.db2.gz PJLKHYMIWPSKIH-LBPRGKRZSA-N 0 3 191.274 2.331 10 0 AEAEHN CNc1c(N)cnc2ccc(C)cc12 34196935 343113254 /nfs/dbraw/zinc/11/32/54/343113254.db2.gz BSYVEAXYOVBLSZ-UHFFFAOYSA-N 0 3 187.246 2.167 10 0 AEAEHN Nc1cccc([C@@H](N)c2ccccc2)c1 34480740 343120118 /nfs/dbraw/zinc/12/01/18/343120118.db2.gz PAGUZWYDCUYZSG-ZDUSSCGKSA-N 0 3 198.269 2.317 10 0 AEAEHN Fc1ccc2c(c1)[C@H](NC1CC1)CO2 35652890 343135502 /nfs/dbraw/zinc/13/55/02/343135502.db2.gz HIYUGUDQOHCIDI-SNVBAGLBSA-N 0 3 193.221 2.011 10 0 AEAEHN CCCN[C@@H]1COc2c(C)cccc21 35652692 343135504 /nfs/dbraw/zinc/13/55/04/343135504.db2.gz LZZOMKRLCXMYFO-LLVKDONJSA-N 0 3 191.274 2.428 10 0 AEAEHN CCCN[C@@H]1COc2ccc(C)cc21 35652662 343135508 /nfs/dbraw/zinc/13/55/08/343135508.db2.gz XPLRUAQKEREISY-LLVKDONJSA-N 0 3 191.274 2.428 10 0 AEAEHN Fc1ccc2c(c1)[C@@H](NC1CC1)CO2 35652891 343135510 /nfs/dbraw/zinc/13/55/10/343135510.db2.gz HIYUGUDQOHCIDI-JTQLQIEISA-N 0 3 193.221 2.011 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](NC(C)C)CO2 35652661 343135512 /nfs/dbraw/zinc/13/55/12/343135512.db2.gz HWFKCSOHDKSBRX-NSHDSACASA-N 0 3 191.274 2.427 10 0 AEAEHN CC(C)N[C@@H]1COc2ccccc21 35652708 343135519 /nfs/dbraw/zinc/13/55/19/343135519.db2.gz CNDLNILBLFXUHK-SNVBAGLBSA-N 0 3 177.247 2.118 10 0 AEAEHN CC(C)N[C@H]1COc2ccccc21 35652709 343135530 /nfs/dbraw/zinc/13/55/30/343135530.db2.gz CNDLNILBLFXUHK-JTQLQIEISA-N 0 3 177.247 2.118 10 0 AEAEHN Cc1cc(C)c2c(c1C)OC[C@H]2N 35653352 343135532 /nfs/dbraw/zinc/13/55/32/343135532.db2.gz WVSJEKQHFOTACN-SECBINFHSA-N 0 3 177.247 2.004 10 0 AEAEHN CCc1ccc2c(c1)[C@H](NC)CCO2 35654693 343135994 /nfs/dbraw/zinc/13/59/94/343135994.db2.gz UEKFFZNTVOWXHK-LLVKDONJSA-N 0 3 191.274 2.292 10 0 AEAEHN CCN[C@H]1COc2ccc(CC)cc21 35654710 343135999 /nfs/dbraw/zinc/13/59/99/343135999.db2.gz CJEXZNMMSAACBM-NSHDSACASA-N 0 3 191.274 2.292 10 0 AEAEHN C[C@H]1CCCN(CC(=O)C(C)(C)C)C1 34988879 343126986 /nfs/dbraw/zinc/12/69/86/343126986.db2.gz DZDCJEQFGVNXLH-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@H]1CSC(NC2CCCC2)=N1 35287163 343131232 /nfs/dbraw/zinc/13/12/32/343131232.db2.gz GDZHDIFKAJQBBL-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@H]1CNC[C@H](c2ccccc2)O1 35285217 343131394 /nfs/dbraw/zinc/13/13/94/343131394.db2.gz CYBGOTNQYFPQME-NWDGAFQWSA-N 0 3 191.274 2.126 10 0 AEAEHN CC1(C)CSC(NCC2CCC2)=N1 35295332 343131932 /nfs/dbraw/zinc/13/19/32/343131932.db2.gz LWOLVOJPQHSGKZ-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN Cc1ccc([C@H]2CN[C@@H](C)CO2)s1 36673561 343147555 /nfs/dbraw/zinc/14/75/55/343147555.db2.gz TVFPRPRWDVFTNS-IONNQARKSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccc([C@H]2CNC[C@@H](C)O2)s1 36986433 343156961 /nfs/dbraw/zinc/15/69/61/343156961.db2.gz LSQPUFDHLGUWMF-VXNVDRBHSA-N 0 3 197.303 2.106 10 0 AEAEHN CC[C@@H]1CO[C@H](c2cccs2)CN1 36986289 343156969 /nfs/dbraw/zinc/15/69/69/343156969.db2.gz QXAQGLQDDRJEFV-BDAKNGLRSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@@H]1CCCN([C@@H](C)C(C)=O)C1 37339477 343165796 /nfs/dbraw/zinc/16/57/96/343165796.db2.gz ISAWORMFVKJLBU-GXSJLCMTSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@H](C1CC1)N(C)[C@@H]1CCCCC1=O 37338760 343165842 /nfs/dbraw/zinc/16/58/42/343165842.db2.gz FCOYWYIMZHFNGU-MWLCHTKSSA-N 0 3 195.306 2.228 10 0 AEAEHN CN1CCCC[C@H]1C(=O)C(C)(C)C 38916439 343192270 /nfs/dbraw/zinc/19/22/70/343192270.db2.gz YOZJLPVBTCHQJP-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@H]1CC[C@H](C)N1c1ccncc1 38973428 343192699 /nfs/dbraw/zinc/19/26/99/343192699.db2.gz ZCLWLEJZXIHMFY-UWVGGRQHSA-N 0 3 176.263 2.459 10 0 AEAEHN C[C@H](N)[C@](C)(F)c1ccccc1 39258275 343208602 /nfs/dbraw/zinc/20/86/02/343208602.db2.gz FIFSVXOOFDSKEK-WPRPVWTQSA-N 0 3 167.227 2.219 10 0 AEAEHN C[C@@H](N)[C@](C)(F)c1ccccc1 39258276 343208659 /nfs/dbraw/zinc/20/86/59/343208659.db2.gz FIFSVXOOFDSKEK-SCZZXKLOSA-N 0 3 167.227 2.219 10 0 AEAEHN CC[C@@H]1OC[C@@H](CC(C)C)N[C@H]1C 40797621 343223234 /nfs/dbraw/zinc/22/32/34/343223234.db2.gz PDSJESVDBFWEDT-AXFHLTTASA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@@H]1CN(C2CCCC2)C[C@@H](C)O1 41363252 343233670 /nfs/dbraw/zinc/23/36/70/343233670.db2.gz XYNLGPYWGZRNIO-NXEZZACHSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@H]1CN(C2CCCC2)C[C@H](C)O1 41363250 343233736 /nfs/dbraw/zinc/23/37/36/343233736.db2.gz XYNLGPYWGZRNIO-UWVGGRQHSA-N 0 3 183.295 2.038 10 0 AEAEHN CC[C@@](C)(NC)c1nc(C)cs1 41060464 343229684 /nfs/dbraw/zinc/22/96/84/343229684.db2.gz MXRCXXLBRNRNEK-SECBINFHSA-N 0 3 184.308 2.296 10 0 AEAEHN CNC1(c2nccs2)CCCC1 41060347 343229686 /nfs/dbraw/zinc/22/96/86/343229686.db2.gz ZVCYQPDAHWYZSR-UHFFFAOYSA-N 0 3 182.292 2.132 10 0 AEAEHN CC[C@H](NC)c1nc(C)c(C)s1 41060621 343229690 /nfs/dbraw/zinc/22/96/90/343229690.db2.gz ACWZQYNFLNRMAG-QMMMGPOBSA-N 0 3 184.308 2.430 10 0 AEAEHN CCc1nc(C2(N)CCC2)sc1C 41060251 343229696 /nfs/dbraw/zinc/22/96/96/343229696.db2.gz VQIJZBLVPXQXJC-UHFFFAOYSA-N 0 3 196.319 2.352 10 0 AEAEHN CC[C@H](C)[C@H](N)c1nccs1 41059959 343229698 /nfs/dbraw/zinc/22/96/98/343229698.db2.gz CLKJGBYMOJHCBZ-BQBZGAKWSA-N 0 3 170.281 2.189 10 0 AEAEHN Cc1nc([C@H](N)C2CC2)sc1C 41059460 343229732 /nfs/dbraw/zinc/22/97/32/343229732.db2.gz AVBHKBLNVWUINC-MRVPVSSYSA-N 0 3 182.292 2.170 10 0 AEAEHN CCC(N)(CC)c1nc(C)cs1 41059582 343229785 /nfs/dbraw/zinc/22/97/85/343229785.db2.gz ATHNTRJVEWQYEW-UHFFFAOYSA-N 0 3 184.308 2.426 10 0 AEAEHN CC(C)Cc1nc([C@@H](C)N)cs1 41627825 343234942 /nfs/dbraw/zinc/23/49/42/343234942.db2.gz GCIDAEDHVUOKEU-SSDOTTSWSA-N 0 3 184.308 2.361 10 0 AEAEHN CC[C@@H](C)[C@H](C)N1CCC(=O)CC1 42556539 343247022 /nfs/dbraw/zinc/24/70/22/343247022.db2.gz ZWMROZCDZPLVBE-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC1CCN([C@H](C)C(C)=O)CC1 42447084 343243451 /nfs/dbraw/zinc/24/34/51/343243451.db2.gz ILBXRFOJFFARST-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 42493806 343244246 /nfs/dbraw/zinc/24/42/46/343244246.db2.gz DWXKOCROKBWJHF-MWLCHTKSSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](NC)c1ccc(C)o1 43610241 343256577 /nfs/dbraw/zinc/25/65/77/343256577.db2.gz XWLYTFBBWNKNEJ-QMMMGPOBSA-N 0 3 153.225 2.259 10 0 AEAEHN CC[C@H](C)[C@H](N)c1ccco1 43606865 343256598 /nfs/dbraw/zinc/25/65/98/343256598.db2.gz MTSSIXQWHUZYFT-CBAPKCEASA-N 0 3 153.225 2.326 10 0 AEAEHN Cc1cccnc1[C@@H](N)CC(C)C 43616599 343256953 /nfs/dbraw/zinc/25/69/53/343256953.db2.gz WUTJGVNYISAXGQ-JTQLQIEISA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1cc([C@@H](N)[C@@H]2CCCO2)c(C)o1 43611270 343256956 /nfs/dbraw/zinc/25/69/56/343256956.db2.gz DTNGLPHCKNQLID-WDEREUQCSA-N 0 3 195.262 2.075 10 0 AEAEHN CC[C@H](NC)c1ncccc1C 43616708 343256966 /nfs/dbraw/zinc/25/69/66/343256966.db2.gz NWKOQGPNGDSATI-VIFPVBQESA-N 0 3 164.252 2.061 10 0 AEAEHN Cc1cccnc1[C@H](N)CC(C)C 43616598 343257007 /nfs/dbraw/zinc/25/70/07/343257007.db2.gz WUTJGVNYISAXGQ-SNVBAGLBSA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1cc([C@@H](N)[C@H]2CCCO2)c(C)o1 43611274 343257009 /nfs/dbraw/zinc/25/70/09/343257009.db2.gz DTNGLPHCKNQLID-GHMZBOCLSA-N 0 3 195.262 2.075 10 0 AEAEHN Cc1cc([C@H](N)[C@@H]2CCCO2)c(C)o1 43611268 343257039 /nfs/dbraw/zinc/25/70/39/343257039.db2.gz DTNGLPHCKNQLID-QWRGUYRKSA-N 0 3 195.262 2.075 10 0 AEAEHN Cc1cc([C@H](N)[C@H]2CCCO2)c(C)o1 43611272 343257048 /nfs/dbraw/zinc/25/70/48/343257048.db2.gz DTNGLPHCKNQLID-MNOVXSKESA-N 0 3 195.262 2.075 10 0 AEAEHN C[C@H]1Sc2c(F)cccc2[C@@H]1N 43635966 343257230 /nfs/dbraw/zinc/25/72/30/343257230.db2.gz QVMLWIFCISWYTK-SVGQVSJJSA-N 0 3 183.251 2.320 10 0 AEAEHN Cc1cc2c(cc1C)[C@H](N)[C@@H](C)O2 43634067 343257471 /nfs/dbraw/zinc/25/74/71/343257471.db2.gz UYDOBNCAYBXXQX-LDYMZIIASA-N 0 3 177.247 2.084 10 0 AEAEHN CCc1cccc2c1O[C@H](C)[C@H]2N 43635214 343257505 /nfs/dbraw/zinc/25/75/05/343257505.db2.gz SLAOJPCKPNRJAZ-GMSGAONNSA-N 0 3 177.247 2.030 10 0 AEAEHN CCc1cccc2c1O[C@@H](C)[C@@H]2N 43635211 343257511 /nfs/dbraw/zinc/25/75/11/343257511.db2.gz SLAOJPCKPNRJAZ-XVKPBYJWSA-N 0 3 177.247 2.030 10 0 AEAEHN Cc1ccc2c(c1C)O[C@@H](C)[C@@H]2N 43634159 343257516 /nfs/dbraw/zinc/25/75/16/343257516.db2.gz OOKHMGJXSYZYQA-WPRPVWTQSA-N 0 3 177.247 2.084 10 0 AEAEHN CCc1ccc2c(c1)[C@H](NC)[C@H](C)O2 43634804 343257518 /nfs/dbraw/zinc/25/75/18/343257518.db2.gz QTDYOVJTIFQPMO-QPUJVOFHSA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1cc(Cl)cc2c1O[C@H](C)[C@@H]2N 43633805 343257520 /nfs/dbraw/zinc/25/75/20/343257520.db2.gz CFQGUPGSPLIAHU-MUWHJKNJSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@@H](N)[C@@H](C)O2 43641946 343257760 /nfs/dbraw/zinc/25/77/60/343257760.db2.gz SBJUEZHPXRWPCG-MUWHJKNJSA-N 0 3 197.665 2.429 10 0 AEAEHN C[C@H]1Oc2c(Cl)cccc2[C@@H]1N 43641557 343257766 /nfs/dbraw/zinc/25/77/66/343257766.db2.gz CUPFNSYQORBWAZ-SVGQVSJJSA-N 0 3 183.638 2.121 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@H](N)[C@@H](C)O2 43641944 343257778 /nfs/dbraw/zinc/25/77/78/343257778.db2.gz SBJUEZHPXRWPCG-HZGVNTEJSA-N 0 3 197.665 2.429 10 0 AEAEHN CCCNCc1nc2ccccc2o1 44292540 343263662 /nfs/dbraw/zinc/26/36/62/343263662.db2.gz XLGATILELZJSCA-UHFFFAOYSA-N 0 3 190.246 2.327 10 0 AEAEHN Cc1nc2c(s1)[C@@H](N)CC(C)(C)C2 50331090 343281691 /nfs/dbraw/zinc/28/16/91/343281691.db2.gz GGRLIQQUWCNIPG-ZETCQYMHSA-N 0 3 196.319 2.424 10 0 AEAEHN C[C@H](N)c1nc(-c2ccsc2)c[nH]1 50340116 343282120 /nfs/dbraw/zinc/28/21/20/343282120.db2.gz JXIOQNMEHHTBPK-LURJTMIESA-N 0 3 193.275 2.158 10 0 AEAEHN CC[C@H]1CO[C@@H](c2ccsc2)CN1 50339946 343282141 /nfs/dbraw/zinc/28/21/41/343282141.db2.gz ULCPPWNKNOMGKB-VHSXEESVSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@@H]1CO[C@@H](c2ccsc2)CN1 50339943 343282152 /nfs/dbraw/zinc/28/21/52/343282152.db2.gz ULCPPWNKNOMGKB-NXEZZACHSA-N 0 3 197.303 2.188 10 0 AEAEHN C[C@H]1CCCC[C@H]1Nc1nccn1C 50605718 343285182 /nfs/dbraw/zinc/28/51/82/343285182.db2.gz SISVYQRXDDROAD-VHSXEESVSA-N 0 3 193.294 2.411 10 0 AEAEHN CC1CCC(Nc2nccn2C)CC1 50605750 343285395 /nfs/dbraw/zinc/28/53/95/343285395.db2.gz MKGKRDKQRHENOQ-UHFFFAOYSA-N 0 3 193.294 2.411 10 0 AEAEHN C[C@H]1NCCc2c(F)cccc21 50682639 343285623 /nfs/dbraw/zinc/28/56/23/343285623.db2.gz IZFOXXDHUSYAHZ-SSDOTTSWSA-N 0 3 165.211 2.032 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@@H](C)C[C@H]1C 51733826 343292644 /nfs/dbraw/zinc/29/26/44/343292644.db2.gz GZGPKWXYLMGWHP-BBBLOLIVSA-N 0 3 183.295 2.084 10 0 AEAEHN CC1(C)CSC(NC2CCC2)=N1 52212145 343302355 /nfs/dbraw/zinc/30/23/55/343302355.db2.gz HYFYDDBYUSFATK-UHFFFAOYSA-N 0 3 184.308 2.010 10 0 AEAEHN Cc1ccc(CN[C@@H]2C[C@@H]2C)o1 52269942 343303124 /nfs/dbraw/zinc/30/31/24/343303124.db2.gz VEOXREPJPMXEJW-OIBJUYFYSA-N 0 3 165.236 2.086 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1ccccc1F 52271581 343303342 /nfs/dbraw/zinc/30/33/42/343303342.db2.gz FNKYCASLJOMORH-KWQFWETISA-N 0 3 179.238 2.324 10 0 AEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccccn1 52270228 343303347 /nfs/dbraw/zinc/30/33/47/343303347.db2.gz MGERZIMRTVOYLR-WCABBAIRSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1ccc(Cl)o1 52272964 343303379 /nfs/dbraw/zinc/30/33/79/343303379.db2.gz BVNCNYCPXHYDFS-XPUUQOCRSA-N 0 3 185.654 2.431 10 0 AEAEHN C[C@H]1C[C@H]1NCc1ccc(Cl)o1 52272968 343303442 /nfs/dbraw/zinc/30/34/42/343303442.db2.gz BVNCNYCPXHYDFS-POYBYMJQSA-N 0 3 185.654 2.431 10 0 AEAEHN Cc1nc(C(C)(C)C)sc1CN 52329954 343306289 /nfs/dbraw/zinc/30/62/89/343306289.db2.gz OMAIRRHVUWCSMF-UHFFFAOYSA-N 0 3 184.308 2.208 10 0 AEAEHN CCN(C)Cc1ccnc(Cl)c1 52709183 343306555 /nfs/dbraw/zinc/30/65/55/343306555.db2.gz OBGYDHNSCCMJPH-UHFFFAOYSA-N 0 3 184.670 2.187 10 0 AEAEHN C[C@H]1C[C@H]1NCc1ccccc1F 52271585 343303476 /nfs/dbraw/zinc/30/34/76/343303476.db2.gz FNKYCASLJOMORH-GZMMTYOYSA-N 0 3 179.238 2.324 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1cccc(F)c1F 52278810 343304115 /nfs/dbraw/zinc/30/41/15/343304115.db2.gz YKDXLMCLFGDDGQ-XVKPBYJWSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@H]1C[C@H]1NCc1cccc(F)c1F 52278814 343304137 /nfs/dbraw/zinc/30/41/37/343304137.db2.gz YKDXLMCLFGDDGQ-OIBJUYFYSA-N 0 3 197.228 2.463 10 0 AEAEHN CCc1cnc([C@H](N)C2CC2)s1 54159014 343318936 /nfs/dbraw/zinc/31/89/36/343318936.db2.gz NMLSMNGWTYYQOU-MRVPVSSYSA-N 0 3 182.292 2.115 10 0 AEAEHN C[C@H](N)c1cnc(C2CC2)s1 54159280 343318946 /nfs/dbraw/zinc/31/89/46/343318946.db2.gz YUGSHZYAVGZLGW-YFKPBYRVSA-N 0 3 168.265 2.040 10 0 AEAEHN CCc1cnc([C@@](C)(N)CC)s1 54159018 343318955 /nfs/dbraw/zinc/31/89/55/343318955.db2.gz FPALFXLGYIJXDE-VIFPVBQESA-N 0 3 184.308 2.289 10 0 AEAEHN C[C@H](N)c1cnc(C(C)(C)C)s1 54159296 343318934 /nfs/dbraw/zinc/31/89/34/343318934.db2.gz CDHWYUMOPPBSRY-LURJTMIESA-N 0 3 184.308 2.460 10 0 AEAEHN Cc1cc(Cl)c2c(c1)[C@@H](N)[C@@H](C)O2 54349039 343322282 /nfs/dbraw/zinc/32/22/82/343322282.db2.gz JAJYDHXQYPROAQ-MUWHJKNJSA-N 0 3 197.665 2.429 10 0 AEAEHN CC[C@H](C)CNC1=N[C@@H](C)CS1 54489027 343324915 /nfs/dbraw/zinc/32/49/15/343324915.db2.gz IONNGHFMQFUBQW-YUMQZZPRSA-N 0 3 186.324 2.113 10 0 AEAEHN CC[C@@H]1CNCc2cc(F)ccc21 58519344 343340298 /nfs/dbraw/zinc/34/02/98/343340298.db2.gz GXNILAHDQKTVEQ-MRVPVSSYSA-N 0 3 179.238 2.423 10 0 AEAEHN CC1(C)Cc2ccc(F)cc2CN1 58519333 343340478 /nfs/dbraw/zinc/34/04/78/343340478.db2.gz BFURZGLNYZDRSC-UHFFFAOYSA-N 0 3 179.238 2.250 10 0 AEAEHN Cc1ccc([C@@H](N)[C@H]2CCCOC2)o1 62234588 343373030 /nfs/dbraw/zinc/37/30/30/343373030.db2.gz FPNZALHYGADZSO-ONGXEEELSA-N 0 3 195.262 2.014 10 0 AEAEHN CN=C1N[C@@H](c2ccccc2)CS1 63001132 343396759 /nfs/dbraw/zinc/39/67/59/343396759.db2.gz KRRBWHJBQPPLDU-SECBINFHSA-N 0 3 192.287 2.050 10 0 AEAEHN CN(Cc1ccc(N)c(F)c1)C1CC1 63011239 343396845 /nfs/dbraw/zinc/39/68/45/343396845.db2.gz AEVFBIABCUAWGB-UHFFFAOYSA-N 0 3 194.253 2.002 10 0 AEAEHN C[C@H]1CCN(CC(=O)C2CC2)[C@H](C)C1 68896888 343413827 /nfs/dbraw/zinc/41/38/27/343413827.db2.gz RCVLQWNIXSAJOI-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1CCCN(CC(=O)C2CC2)CC1 68897525 343413959 /nfs/dbraw/zinc/41/39/59/343413959.db2.gz WDXFYGIKPNVIQI-SNVBAGLBSA-N 0 3 195.306 2.088 10 0 AEAEHN N[C@@H](c1ccoc1)c1cccc(F)c1 69630711 343428751 /nfs/dbraw/zinc/42/87/51/343428751.db2.gz XFOWVPBRWPCBBV-LLVKDONJSA-N 0 3 191.205 2.467 10 0 AEAEHN CC(C)CC[C@@H](N)c1cccnc1N 69845472 343447467 /nfs/dbraw/zinc/44/74/67/343447467.db2.gz GHLMDAXTWPOSMC-SNVBAGLBSA-N 0 3 193.294 2.100 10 0 AEAEHN c1ccc2c(c1)OC[C@H]2NC1CCC1 70068805 343473665 /nfs/dbraw/zinc/47/36/65/343473665.db2.gz JYJRIBWUQNHOTG-LLVKDONJSA-N 0 3 189.258 2.262 10 0 AEAEHN c1ccc2c(c1)OC[C@@H]2NC1CCC1 70068806 343473707 /nfs/dbraw/zinc/47/37/07/343473707.db2.gz JYJRIBWUQNHOTG-NSHDSACASA-N 0 3 189.258 2.262 10 0 AEAEHN CC[C@H]1CCCN([C@@H](C)C(C)=O)CC1 70613764 343502822 /nfs/dbraw/zinc/50/28/22/343502822.db2.gz UKPFSNWQKYVJQM-JQWIXIFHSA-N 0 3 197.322 2.476 10 0 AEAEHN Cc1csc([C@@]2(N)CC[C@@H](C)C2)n1 70644991 343516247 /nfs/dbraw/zinc/51/62/47/343516247.db2.gz JLHXJPJOQFKADV-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2nccs2)C1 70644996 343516263 /nfs/dbraw/zinc/51/62/63/343516263.db2.gz SSTYOLSLZGMYCH-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CCC[C@H]1Nc1nccn1C 70832633 343535349 /nfs/dbraw/zinc/53/53/49/343535349.db2.gz BJEOJMXXQXCPHW-DTWKUNHWSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@@H]1CCC[C@H]1Nc1nccn1C 70832629 343535364 /nfs/dbraw/zinc/53/53/64/343535364.db2.gz BJEOJMXXQXCPHW-RKDXNWHRSA-N 0 3 179.267 2.021 10 0 AEAEHN CC[C@]1(C)CSC(NC2CCC2)=N1 70892052 343539367 /nfs/dbraw/zinc/53/93/67/343539367.db2.gz RHJBMGRHXWYSDA-SNVBAGLBSA-N 0 3 198.335 2.400 10 0 AEAEHN CC(C)(C)NC1=NC[C@@H](C2CC2)S1 70887049 343539396 /nfs/dbraw/zinc/53/93/96/343539396.db2.gz ALUKPVJNLUWNDI-QMMMGPOBSA-N 0 3 198.335 2.256 10 0 AEAEHN CCC(N)(CC)c1nc(C)cc(C)n1 70948640 343543204 /nfs/dbraw/zinc/54/32/04/343543204.db2.gz ILUZPFDCBXQRMR-UHFFFAOYSA-N 0 3 193.294 2.067 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@H]1CCC[C@H]1C 70832051 343534768 /nfs/dbraw/zinc/53/47/68/343534768.db2.gz YUESDBYIDVQDTR-SCVCMEIPSA-N 0 3 195.306 2.228 10 0 AEAEHN CC1(C)CN[C@@H](c2ccccc2)O1 71497201 343554550 /nfs/dbraw/zinc/55/45/50/343554550.db2.gz ITWGIVKZTYBDID-SNVBAGLBSA-N 0 3 177.247 2.084 10 0 AEAEHN Cc1cccc2c(CN)nccc12 74310056 343572102 /nfs/dbraw/zinc/57/21/02/343572102.db2.gz YHTNQJZBORULBW-UHFFFAOYSA-N 0 3 172.231 2.002 10 0 AEAEHN Cc1ccc(-c2nc(N)[nH]c2C)cc1 82530018 343605989 /nfs/dbraw/zinc/60/59/89/343605989.db2.gz CFPIEXQVBPINND-UHFFFAOYSA-N 0 3 187.246 2.276 10 0 AEAEHN CCc1cccc2c(C)c(CN)[nH]c12 83966180 343629574 /nfs/dbraw/zinc/62/95/74/343629574.db2.gz PVRSTVYUTXSLAQ-UHFFFAOYSA-N 0 3 188.274 2.497 10 0 AEAEHN F[C@]1(C2CCCC2)CCCNC1 107123320 343741969 /nfs/dbraw/zinc/74/19/69/343741969.db2.gz IVHSODLEROANOH-SNVBAGLBSA-N 0 3 171.259 2.268 10 0 AEAEHN N[C@H](c1ccco1)[C@H]1CCSC1 107129781 343743234 /nfs/dbraw/zinc/74/32/34/343743234.db2.gz UUBWPJOYCQWYEQ-CBAPKCEASA-N 0 3 183.276 2.033 10 0 AEAEHN N[C@@H](c1ccco1)C1CCSCC1 107140791 343744151 /nfs/dbraw/zinc/74/41/51/343744151.db2.gz WHTZWPQGCUBQQP-SNVBAGLBSA-N 0 3 197.303 2.423 10 0 AEAEHN Fc1ccc([C@]2(F)CCCNC2)cc1 107139986 343744181 /nfs/dbraw/zinc/74/41/81/343744181.db2.gz OGNHSDNQOUBBFB-NSHDSACASA-N 0 3 197.228 2.374 10 0 AEAEHN Cc1ncccc1CN[C@@H]1CC1(C)C 115631548 343767228 /nfs/dbraw/zinc/76/72/28/343767228.db2.gz DJGAZDUQCXJJLZ-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN c1ccc(CNCCCC2CC2)nc1 124954737 343788447 /nfs/dbraw/zinc/78/84/47/343788447.db2.gz FXUUXLYOJBHENO-UHFFFAOYSA-N 0 3 190.290 2.361 10 0 AEAEHN CCO[C@H](C)CNCc1ccccc1 127075713 343803765 /nfs/dbraw/zinc/80/37/65/343803765.db2.gz LORZEZBGXNAACM-LLVKDONJSA-N 0 3 193.290 2.201 10 0 AEAEHN CCn1c(C)nc(C2CCC2)c1N 127234624 343807874 /nfs/dbraw/zinc/80/78/74/343807874.db2.gz LDBGEUMFMSEOHN-UHFFFAOYSA-N 0 3 179.267 2.061 10 0 AEAEHN Cc1nc(C2CCC2)c(N)n1C1CC1 127235398 343807883 /nfs/dbraw/zinc/80/78/83/343807883.db2.gz WPPQDLAHDQUFSX-UHFFFAOYSA-N 0 3 191.278 2.376 10 0 AEAEHN CCc1nc(C2CCC2)c(N)n1CC 127237559 343808343 /nfs/dbraw/zinc/80/83/43/343808343.db2.gz IJZTZWUXCDGGCY-UHFFFAOYSA-N 0 3 193.294 2.315 10 0 AEAEHN Cn1nccc1[C@H](N)C1(C)CCCC1 127612775 343815069 /nfs/dbraw/zinc/81/50/69/343815069.db2.gz IZDACEDATUUHBC-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN CSC[C@H](C)Nc1ccncc1 127769302 343819041 /nfs/dbraw/zinc/81/90/41/343819041.db2.gz PJGVILNMLJSQGG-QMMMGPOBSA-N 0 3 182.292 2.245 10 0 AEAEHN CCCc1nc2n(c1N)CC[C@H](C)C2 127360852 343810587 /nfs/dbraw/zinc/81/05/87/343810587.db2.gz CLMKQTIIBOKCCE-QMMMGPOBSA-N 0 3 193.294 2.000 10 0 AEAEHN C[C@H]1CC[C@H](Nc2cccc(N)n2)C1 128116094 343825357 /nfs/dbraw/zinc/82/53/57/343825357.db2.gz FDKUIPZBXLGDMT-IUCAKERBSA-N 0 3 191.278 2.264 10 0 AEAEHN C[C@@H]1CC[C@@H](Nc2cccc(N)n2)C1 128116305 343825365 /nfs/dbraw/zinc/82/53/65/343825365.db2.gz FDKUIPZBXLGDMT-RKDXNWHRSA-N 0 3 191.278 2.264 10 0 AEAEHN C[C@H]1CC[C@@H](Nc2cccc(N)n2)C1 128116511 343825369 /nfs/dbraw/zinc/82/53/69/343825369.db2.gz FDKUIPZBXLGDMT-DTWKUNHWSA-N 0 3 191.278 2.264 10 0 AEAEHN COC1([C@H](N)c2ccoc2)CCCC1 128857538 343838626 /nfs/dbraw/zinc/83/86/26/343838626.db2.gz ZKBQOGNHBDQYQL-SNVBAGLBSA-N 0 3 195.262 2.239 10 0 AEAEHN CCSCCNCc1ccc(C)o1 128945547 343840935 /nfs/dbraw/zinc/84/09/35/343840935.db2.gz YFIZUPPHCMZYGB-UHFFFAOYSA-N 0 3 199.319 2.431 10 0 AEAEHN CN[C@H]1CCOc2c(C)cc(F)cc21 129264000 343847188 /nfs/dbraw/zinc/84/71/88/343847188.db2.gz HBNHSTUGMPDLFC-JTQLQIEISA-N 0 3 195.237 2.177 10 0 AEAEHN N[C@H](c1ccsc1)[C@@H]1CCCCO1 129263977 343847212 /nfs/dbraw/zinc/84/72/12/343847212.db2.gz OSUIGTGJHFTTIC-VHSXEESVSA-N 0 3 197.303 2.317 10 0 AEAEHN C[C@H](c1ccc(N)cc1)N1CC=CC1 129254044 343847220 /nfs/dbraw/zinc/84/72/20/343847220.db2.gz KIXWSRUDTRYHLL-SNVBAGLBSA-N 0 3 188.274 2.202 10 0 AEAEHN CC1(C)CC[C@H](NC2=NCCS2)C1 129762235 343855884 /nfs/dbraw/zinc/85/58/84/343855884.db2.gz MJCZHWALCRTYTP-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H]1CN=C(N[C@@H]2CC[C@@H](C)C2)S1 129749147 343855889 /nfs/dbraw/zinc/85/58/89/343855889.db2.gz LRSOHPZZOUEDLD-HRDYMLBCSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CN=C(N[C@H]2CC[C@@H](C)C2)S1 129748717 343856117 /nfs/dbraw/zinc/85/61/17/343856117.db2.gz LRSOHPZZOUEDLD-VGMNWLOBSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CC[C@@H](Nc2nccn2C)C1 129628027 343854269 /nfs/dbraw/zinc/85/42/69/343854269.db2.gz SCEIAHSJQHTEFF-DTWKUNHWSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@@H]1CC[C@@H](Nc2nccn2C)C1 129627840 343854296 /nfs/dbraw/zinc/85/42/96/343854296.db2.gz SCEIAHSJQHTEFF-RKDXNWHRSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@@H](N)c1cncn1[C@H](C)C1CCC1 130742151 343874569 /nfs/dbraw/zinc/87/45/69/343874569.db2.gz UHSRVHLUIORKEX-RKDXNWHRSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@H](N)c1cncn1[C@H]1CCC[C@H]1C 130403840 343868285 /nfs/dbraw/zinc/86/82/85/343868285.db2.gz DUMWSBZSHRUNBG-UTLUCORTSA-N 0 3 193.294 2.264 10 0 AEAEHN CCC1(n2cncc2[C@H](C)N)CCC1 130605889 343870826 /nfs/dbraw/zinc/87/08/26/343870826.db2.gz FMOMLMTVMBHBMD-VIFPVBQESA-N 0 3 193.294 2.192 10 0 AEAEHN CC[C@@H]1C[C@H](N)c2ccc(F)cc2O1 130891461 343877126 /nfs/dbraw/zinc/87/71/26/343877126.db2.gz GBHVITDUEYORRO-SCZZXKLOSA-N 0 3 195.237 2.387 10 0 AEAEHN CC[C@H]1C[C@H](N)c2ccc(F)cc2O1 130891659 343877312 /nfs/dbraw/zinc/87/73/12/343877312.db2.gz GBHVITDUEYORRO-WPRPVWTQSA-N 0 3 195.237 2.387 10 0 AEAEHN CN[C@@H]1C[C@H](C)Oc2cc(F)ccc21 130976715 343878323 /nfs/dbraw/zinc/87/83/23/343878323.db2.gz XCRMPYOWQREJGE-OIBJUYFYSA-N 0 3 195.237 2.257 10 0 AEAEHN CN[C@H]1C[C@H](C)Oc2cc(F)ccc21 130976372 343878357 /nfs/dbraw/zinc/87/83/57/343878357.db2.gz XCRMPYOWQREJGE-XVKPBYJWSA-N 0 3 195.237 2.257 10 0 AEAEHN CC(C)Sc1cccnc1CN 131016534 343878885 /nfs/dbraw/zinc/87/88/85/343878885.db2.gz HXKITJHRGLSKPY-UHFFFAOYSA-N 0 3 182.292 2.041 10 0 AEAEHN C/C=C/C=C/c1nc(CN)cs1 83340519 166060802 /nfs/dbraw/zinc/06/08/02/166060802.db2.gz OGISLJLRKFSZIO-MQQKCMAXSA-N 0 3 180.276 2.191 10 0 AEAEHN C/C=C/COc1ccccc1CN 37698964 166062606 /nfs/dbraw/zinc/06/26/06/166062606.db2.gz ADWUXYUMPRQBFM-NSCUHMNNSA-N 0 3 177.247 2.100 10 0 AEAEHN C/C=C/CNCc1ccccc1 75545128 166062900 /nfs/dbraw/zinc/06/29/00/166062900.db2.gz USEGQYNVYCNAPA-NSCUHMNNSA-N 0 3 161.248 2.352 10 0 AEAEHN C/C=C/[C@@H]1NCCc2c(O)cccc21 83703523 166064551 /nfs/dbraw/zinc/06/45/51/166064551.db2.gz RHJASZYHGCIEBW-FWEMWIAWSA-N 0 3 189.258 2.155 10 0 AEAEHN C/C=C/[C@@H]1NCCc2ccccc21 83695223 166064621 /nfs/dbraw/zinc/06/46/21/166064621.db2.gz VDJROKZCEJSOJL-PWFBRDGFSA-N 0 3 173.259 2.450 10 0 AEAEHN C/C=C/[C@H]1NCCc2ccc(N)cc21 75751846 166064669 /nfs/dbraw/zinc/06/46/69/166064669.db2.gz KAHYAQMUIFHGPQ-QAVQXKDTSA-N 0 3 188.274 2.032 10 0 AEAEHN C/C=C/[C@H]1NCCc2ccccc21 83695218 166064955 /nfs/dbraw/zinc/06/49/55/166064955.db2.gz VDJROKZCEJSOJL-ROLFPQFPSA-N 0 3 173.259 2.450 10 0 AEAEHN C/C=C/[C@H]1NCCc2c(O)cccc21 83703522 166065393 /nfs/dbraw/zinc/06/53/93/166065393.db2.gz RHJASZYHGCIEBW-JRBALWBOSA-N 0 3 189.258 2.155 10 0 AEAEHN C/C=C/[C@@H]1NCCc2ccc(N)cc21 75751848 166065397 /nfs/dbraw/zinc/06/53/97/166065397.db2.gz KAHYAQMUIFHGPQ-JDGPPOGSSA-N 0 3 188.274 2.032 10 0 AEAEHN C/C=C/[C@H](N)c1ccccc1 39408441 166065439 /nfs/dbraw/zinc/06/54/39/166065439.db2.gz XYBRKTDTANRJGA-LFKJVQOCSA-N 0 3 147.221 2.263 10 0 AEAEHN C/C=C/[C@@H]1NCCc2ccc(O)cc21 83663846 166065484 /nfs/dbraw/zinc/06/54/84/166065484.db2.gz GBCFBXCYWOYRFM-JDGPPOGSSA-N 0 3 189.258 2.155 10 0 AEAEHN C/C=C/[C@@H]1NCCc2cc(O)ccc21 83660455 166065630 /nfs/dbraw/zinc/06/56/30/166065630.db2.gz UNIDMXMHKHRZRN-JDGPPOGSSA-N 0 3 189.258 2.155 10 0 AEAEHN C/C=C/[C@H]1NCCc2ccc(O)cc21 83663845 166065922 /nfs/dbraw/zinc/06/59/22/166065922.db2.gz GBCFBXCYWOYRFM-QAVQXKDTSA-N 0 3 189.258 2.155 10 0 AEAEHN C/C=C/[C@H]1NCCc2cc(O)ccc21 83660454 166066022 /nfs/dbraw/zinc/06/60/22/166066022.db2.gz UNIDMXMHKHRZRN-QAVQXKDTSA-N 0 3 189.258 2.155 10 0 AEAEHN C/C=C/[C@@H](N)c1ccccc1 39408443 166066257 /nfs/dbraw/zinc/06/62/57/166066257.db2.gz XYBRKTDTANRJGA-GCEAOBNSSA-N 0 3 147.221 2.263 10 0 AEAEHN C/C=C1\COc2ccccc2[C@@H]1NC 75579381 166067162 /nfs/dbraw/zinc/06/71/62/166067162.db2.gz HBTODVPNRHWFLH-AHAUYKDXSA-N 0 3 189.258 2.286 10 0 AEAEHN C/C=C1\COc2ccccc2[C@H]1NC 75579385 166067441 /nfs/dbraw/zinc/06/74/41/166067441.db2.gz HBTODVPNRHWFLH-KBNZMGLGSA-N 0 3 189.258 2.286 10 0 AEAEHN C1=C(CN2CCCOCC2)CCCC1 334656970 166071857 /nfs/dbraw/zinc/07/18/57/166071857.db2.gz RAHXHNZVBJUTLN-UHFFFAOYSA-N 0 3 195.306 2.209 10 0 AEAEHN C[C@@H]1Cc2c(CN)csc2[C@@H](C)O1 132786328 343904404 /nfs/dbraw/zinc/90/44/04/343904404.db2.gz YDPMXTPFYOCSMO-RNFRBKRXSA-N 0 3 197.303 2.229 10 0 AEAEHN C1=C(c2cccs2)[C@@H]2CC[C@H]1N2 73164512 166073974 /nfs/dbraw/zinc/07/39/74/166073974.db2.gz ZGCURIIJLKXIIG-APPZFPTMSA-N 0 3 177.272 2.266 10 0 AEAEHN C1=C(c2ccco2)C2CCN1CC2 53057633 166074136 /nfs/dbraw/zinc/07/41/36/166074136.db2.gz HNQCDUJRXDPLHW-UHFFFAOYSA-N 0 3 175.231 2.346 10 0 AEAEHN C1=CN[C@H](c2ccccc2)C=C1 39188367 166076443 /nfs/dbraw/zinc/07/64/43/166076443.db2.gz AGIPTHHIVXLETE-NSHDSACASA-N 0 3 157.216 2.401 10 0 AEAEHN C1=CN[C@@H](c2ccccc2)C=C1 39188368 166076804 /nfs/dbraw/zinc/07/68/04/166076804.db2.gz AGIPTHHIVXLETE-LLVKDONJSA-N 0 3 157.216 2.401 10 0 AEAEHN C1=C[C@H](NCc2ccco2)CCC1 104577683 166078480 /nfs/dbraw/zinc/07/84/80/166078480.db2.gz HJETZKIEWCMIMH-JTQLQIEISA-N 0 3 177.247 2.478 10 0 AEAEHN C1=C[C@@H](NCc2ccco2)CCC1 104577688 166078540 /nfs/dbraw/zinc/07/85/40/166078540.db2.gz HJETZKIEWCMIMH-SNVBAGLBSA-N 0 3 177.247 2.478 10 0 AEAEHN C1=C[C@@H](c2ccccc2)CCN1 100354449 166078612 /nfs/dbraw/zinc/07/86/12/166078612.db2.gz RKNSEUIPTUHGHN-LLVKDONJSA-N 0 3 159.232 2.277 10 0 AEAEHN C1=C[C@H](c2ccccc2)CCN1 100354450 166079560 /nfs/dbraw/zinc/07/95/60/166079560.db2.gz RKNSEUIPTUHGHN-NSHDSACASA-N 0 3 159.232 2.277 10 0 AEAEHN C1=Cc2ccccc2C=NC1 5517404 166079588 /nfs/dbraw/zinc/07/95/88/166079588.db2.gz SRIAVEAVYZWELE-UHFFFAOYSA-N 0 3 143.189 2.132 10 0 AEAEHN C1=NCCc2c1[nH]c1ccccc21 332024 166081881 /nfs/dbraw/zinc/08/18/81/166081881.db2.gz NTYXKFHKVREUMR-UHFFFAOYSA-N 0 3 170.215 2.143 10 0 in-vivo AEAEHN C1CC(N2CCOC3(CCCC3)C2)C1 335948652 166083407 /nfs/dbraw/zinc/08/34/07/166083407.db2.gz BDJLVSHZHVWNJD-UHFFFAOYSA-N 0 3 195.306 2.184 10 0 AEAEHN C1CC([C@@H]2CN(C3CCC3)CCO2)C1 334815237 166085670 /nfs/dbraw/zinc/08/56/70/166085670.db2.gz QKNQDXFRCLRCHJ-LBPRGKRZSA-N 0 3 195.306 2.040 10 0 AEAEHN C1CC([C@H]2CN(C3CCC3)CCO2)C1 334815236 166085946 /nfs/dbraw/zinc/08/59/46/166085946.db2.gz QKNQDXFRCLRCHJ-GFCCVEGCSA-N 0 3 195.306 2.040 10 0 AEAEHN C1CCC(SC2=NCCN2)CC1 54643075 166087332 /nfs/dbraw/zinc/08/73/32/166087332.db2.gz KWIMLNGNRDHHGU-UHFFFAOYSA-N 0 3 184.308 2.012 10 0 AEAEHN C1CCC(N2CCOCC23CCC3)C1 335748076 166087548 /nfs/dbraw/zinc/08/75/48/166087548.db2.gz JFHFDHMJFXGKIT-UHFFFAOYSA-N 0 3 195.306 2.184 10 0 AEAEHN C1CCC(N2CCO[C@@H](C3CC3)C2)C1 336521705 166087847 /nfs/dbraw/zinc/08/78/47/166087847.db2.gz XUOVXFQPSHIPAR-GFCCVEGCSA-N 0 3 195.306 2.040 10 0 AEAEHN C1CCC(N2CCO[C@H](C3CC3)C2)C1 336521706 166088028 /nfs/dbraw/zinc/08/80/28/166088028.db2.gz XUOVXFQPSHIPAR-LBPRGKRZSA-N 0 3 195.306 2.040 10 0 AEAEHN C1CCC2(CC1)NCCCS2 1596466 166088804 /nfs/dbraw/zinc/08/88/04/166088804.db2.gz MYFCZPVVIDYTAA-UHFFFAOYSA-N 0 3 171.309 2.373 10 0 AEAEHN C1CCCC(NC2=NCCS2)CC1 36963113 166089003 /nfs/dbraw/zinc/08/90/03/166089003.db2.gz RVWSDVBTEVNOSB-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN C1CCCC2(CCC1)CN2 66340112 166090315 /nfs/dbraw/zinc/09/03/15/166090315.db2.gz DYQQDXPNOAXFAJ-UHFFFAOYSA-N 0 3 139.242 2.073 10 0 AEAEHN C1CCN2CCOC3(CCCC3)[C@H]2C1 39112495 166091369 /nfs/dbraw/zinc/09/13/69/166091369.db2.gz SXUQESUGFUCHMX-LLVKDONJSA-N 0 3 195.306 2.184 10 0 AEAEHN C1CCN(C2(C3=NCCC3)CC2)CC1 104832242 166092036 /nfs/dbraw/zinc/09/20/36/166092036.db2.gz VPGNUXTZZJNFTF-UHFFFAOYSA-N 0 3 192.306 2.240 10 0 AEAEHN C1CCN2CCOC3(CCCC3)[C@@H]2C1 39112494 166092084 /nfs/dbraw/zinc/09/20/84/166092084.db2.gz SXUQESUGFUCHMX-NSHDSACASA-N 0 3 195.306 2.184 10 0 AEAEHN C1CO[C@@]2(N3CCCC3)CCC[C@@H]2C1 39112481 166100444 /nfs/dbraw/zinc/10/04/44/166100444.db2.gz OMTDISFBONQMEQ-NEPJUHHUSA-N 0 3 195.306 2.389 10 0 AEAEHN C1CO[C@@]2(N3CCCC3)CCC[C@H]2C1 39112483 166102015 /nfs/dbraw/zinc/10/20/15/166102015.db2.gz OMTDISFBONQMEQ-RYUDHWBXSA-N 0 3 195.306 2.389 10 0 AEAEHN C1CO[C@]2(N3CCCC3)CCC[C@@H]2C1 39112480 166104487 /nfs/dbraw/zinc/10/44/87/166104487.db2.gz OMTDISFBONQMEQ-VXGBXAGGSA-N 0 3 195.306 2.389 10 0 AEAEHN C1CO[C@]2(N3CCCC3)CCC[C@H]2C1 39112482 166104582 /nfs/dbraw/zinc/10/45/82/166104582.db2.gz OMTDISFBONQMEQ-NWDGAFQWSA-N 0 3 195.306 2.389 10 0 AEAEHN C=C1c2ccccc2CCN1C 100065971 166151076 /nfs/dbraw/zinc/15/10/76/166151076.db2.gz NPAFTCBMITYZID-UHFFFAOYSA-N 0 3 159.232 2.145 10 0 AEAEHN C=C=CCC[C@]1(C)NCCS1 33872519 166152352 /nfs/dbraw/zinc/15/23/52/166152352.db2.gz QACMFMCVAMDINW-SECBINFHSA-N 0 3 169.293 2.160 10 0 AEAEHN C=C=CCC[C@@]1(C)NCCS1 33872518 166152634 /nfs/dbraw/zinc/15/26/34/166152634.db2.gz QACMFMCVAMDINW-VIFPVBQESA-N 0 3 169.293 2.160 10 0 AEAEHN C=C=CCNCc1ccccc1 25989777 166152868 /nfs/dbraw/zinc/15/28/68/166152868.db2.gz XHHLTIGADXPAQU-UHFFFAOYSA-N 0 3 159.232 2.117 10 0 AEAEHN CCC[C@H](N)c1occc1C 133080036 343911571 /nfs/dbraw/zinc/91/15/71/343911571.db2.gz ZKHHULPNGBVCLF-QMMMGPOBSA-N 0 3 153.225 2.388 10 0 AEAEHN CCC[C@@H](N)c1occc1C 133080211 343911589 /nfs/dbraw/zinc/91/15/89/343911589.db2.gz ZKHHULPNGBVCLF-MRVPVSSYSA-N 0 3 153.225 2.388 10 0 AEAEHN C=CN(C)Cc1ccccc1 100517543 166210728 /nfs/dbraw/zinc/21/07/28/166210728.db2.gz QEHONTLIZRAESB-UHFFFAOYSA-N 0 3 147.221 2.262 10 0 AEAEHN C=Cc1cccc([C@H](N)C2CC2)n1 200764641 166222303 /nfs/dbraw/zinc/22/23/03/166222303.db2.gz SWBQDESWAAGXIO-LLVKDONJSA-N 0 3 174.247 2.134 10 0 AEAEHN C=Cc1cccc(CN(C)C)c1 39363473 166223183 /nfs/dbraw/zinc/22/31/83/166223183.db2.gz CGQMSVZSAGRUJH-UHFFFAOYSA-N 0 3 161.248 2.391 10 0 AEAEHN C=Cc1cccc([C@@H](N)C2CC2)n1 200764675 166223474 /nfs/dbraw/zinc/22/34/74/166223474.db2.gz SWBQDESWAAGXIO-NSHDSACASA-N 0 3 174.247 2.134 10 0 AEAEHN CC(=O)C[C@H](c1ccccc1)N(C)C 39471139 166248363 /nfs/dbraw/zinc/24/83/63/166248363.db2.gz SDENKFVOBSEBMT-GFCCVEGCSA-N 0 3 191.274 2.268 10 0 AEAEHN C[C@H](CNC1=N[C@H](C)CS1)C1CC1 133441762 343918886 /nfs/dbraw/zinc/91/88/86/343918886.db2.gz PEOFIQNUOMHVKP-HTQZYQBOSA-N 0 3 198.335 2.113 10 0 AEAEHN CC(=O)[C@@H](C)N(CC1CC1)C(C)C 42588010 166297284 /nfs/dbraw/zinc/29/72/84/166297284.db2.gz CWJNJOSPOIEUJQ-SECBINFHSA-N 0 3 183.295 2.084 10 0 AEAEHN CC(=O)[C@@H](C)N(C)C1CCC(C)CC1 42221465 166298249 /nfs/dbraw/zinc/29/82/49/166298249.db2.gz AGRQZMQRJPCFPV-SQLBVSGCSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)[C@@H](C)N(C)C1CCCCC1 35021235 166298788 /nfs/dbraw/zinc/29/87/88/166298788.db2.gz KSGGTTMDJYAQCF-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC(=O)[C@@H](C)N(C)[C@@H](C)C(C)(C)C 42774069 166299286 /nfs/dbraw/zinc/29/92/86/166299286.db2.gz GTQJZFNQGWGQTO-SCZZXKLOSA-N 0 3 185.311 2.330 10 0 AEAEHN CC(=O)[C@@H](C)N1CCCCCCC1 35036214 166299356 /nfs/dbraw/zinc/29/93/56/166299356.db2.gz HNDPWLYASCRNTR-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CC(=O)[C@@H](C=N)c1ccccc1 13404351 166299712 /nfs/dbraw/zinc/29/97/12/166299712.db2.gz XAWCFZGJVWBDQR-SNVBAGLBSA-N 0 3 161.204 2.009 10 0 AEAEHN CC(C)C[C@@H](N)c1ccncc1F 133549051 343922320 /nfs/dbraw/zinc/92/23/20/343922320.db2.gz WAITXELSVWYOEY-SNVBAGLBSA-N 0 3 182.242 2.267 10 0 AEAEHN CC(=O)[C@H](C)N(C)[C@@H](C)C(C)(C)C 42774065 166305546 /nfs/dbraw/zinc/30/55/46/166305546.db2.gz GTQJZFNQGWGQTO-WPRPVWTQSA-N 0 3 185.311 2.330 10 0 AEAEHN CC(=O)[C@H](C=N)c1ccccc1 100643690 166305915 /nfs/dbraw/zinc/30/59/15/166305915.db2.gz XAWCFZGJVWBDQR-JTQLQIEISA-N 0 3 161.204 2.009 10 0 AEAEHN CC(=O)[C@H](C)N(CC1CC1)C(C)C 42588007 166305928 /nfs/dbraw/zinc/30/59/28/166305928.db2.gz CWJNJOSPOIEUJQ-VIFPVBQESA-N 0 3 183.295 2.084 10 0 AEAEHN CC(=O)[C@H](C)N(C)[C@@H](C)CC(C)C 42586559 166306198 /nfs/dbraw/zinc/30/61/98/166306198.db2.gz IXRRLABXPGTHAR-UWVGGRQHSA-N 0 3 185.311 2.330 10 0 AEAEHN CC(=O)[C@H](C)N1CCCCCCC1 35036212 166306945 /nfs/dbraw/zinc/30/69/45/166306945.db2.gz HNDPWLYASCRNTR-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CC(=O)[C@H](C)N(C)C1CCC(C)CC1 42221464 166307515 /nfs/dbraw/zinc/30/75/15/166307515.db2.gz AGRQZMQRJPCFPV-YZRBJQDESA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)[C@H](C)N(C)C1CCCCC1 35021233 166307606 /nfs/dbraw/zinc/30/76/06/166307606.db2.gz KSGGTTMDJYAQCF-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CN[C@H](c1ccncc1F)C(C)C 133564115 343922757 /nfs/dbraw/zinc/92/27/57/343922757.db2.gz OMBSRLPNHTUXHP-JTQLQIEISA-N 0 3 182.242 2.137 10 0 AEAEHN CC(=O)c1cc2c(s1)CCC[C@@H]2N 60076781 166321087 /nfs/dbraw/zinc/32/10/87/166321087.db2.gz DHCWFTQTENJTDP-QMMMGPOBSA-N 0 3 195.287 2.287 10 0 AEAEHN CC(=O)c1cc2c(s1)CCC[C@H]2N 60076785 166322701 /nfs/dbraw/zinc/32/27/01/166322701.db2.gz DHCWFTQTENJTDP-MRVPVSSYSA-N 0 3 195.287 2.287 10 0 AEAEHN CC(=O)c1ccc(Cl)c(CN)c1 75844829 166324758 /nfs/dbraw/zinc/32/47/58/166324758.db2.gz BBEPOOPYAPLWLR-UHFFFAOYSA-N 0 3 183.638 2.001 10 0 AEAEHN CC[C@H](C)[C@H](N)c1ccncc1F 133562619 343922795 /nfs/dbraw/zinc/92/27/95/343922795.db2.gz KMCGVSCXKBBFSY-XVKPBYJWSA-N 0 3 182.242 2.267 10 0 AEAEHN CC(=O)c1scc2c1CCC[C@@H]2N 82386237 166334513 /nfs/dbraw/zinc/33/45/13/166334513.db2.gz CLTDMDRIKRFJIK-VIFPVBQESA-N 0 3 195.287 2.287 10 0 AEAEHN CC(=O)c1scc2c1CCC[C@H]2N 82386236 166334832 /nfs/dbraw/zinc/33/48/32/166334832.db2.gz CLTDMDRIKRFJIK-SECBINFHSA-N 0 3 195.287 2.287 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ccncc1F 133562429 343922835 /nfs/dbraw/zinc/92/28/35/343922835.db2.gz KMCGVSCXKBBFSY-XCBNKYQSSA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C(N)=O)[C@@H](N)c1ccccc1 335913501 166341384 /nfs/dbraw/zinc/34/13/84/166341384.db2.gz BWCCAYHHDOPCQK-VIFPVBQESA-N 0 3 192.262 2.248 10 0 AEAEHN CC(C)(C(N)=O)[C@H](N)c1ccccc1 335913500 166341878 /nfs/dbraw/zinc/34/18/78/166341878.db2.gz BWCCAYHHDOPCQK-SECBINFHSA-N 0 3 192.262 2.248 10 0 AEAEHN CC(C)(C)C(=O)c1ccc(CN)cc1 60135635 166345277 /nfs/dbraw/zinc/34/52/77/166345277.db2.gz NEUYIKGRWBERAN-UHFFFAOYSA-N 0 3 191.274 2.374 10 0 AEAEHN CC(C)(C)CC[C@@](C)(F)CN 17438396 166350218 /nfs/dbraw/zinc/35/02/18/166350218.db2.gz NAGHWXZGHUMUKA-SECBINFHSA-N 0 3 161.264 2.500 10 0 AEAEHN CC(C)(C)CC[C@H](N)c1cnccn1 53819500 166350464 /nfs/dbraw/zinc/35/04/64/166350464.db2.gz VGBBUELZSZJRFO-VIFPVBQESA-N 0 3 193.294 2.303 10 0 AEAEHN C[C@H]1CCSC(NC2CCC2)=N1 133618489 343923339 /nfs/dbraw/zinc/92/33/39/343923339.db2.gz VZQMYJQVPKQTGB-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN CC(C)(C)CC[C@](C)(F)CN 17438398 166350939 /nfs/dbraw/zinc/35/09/39/166350939.db2.gz NAGHWXZGHUMUKA-VIFPVBQESA-N 0 3 161.264 2.500 10 0 AEAEHN CC(C)(C)CC[C@@H](N)c1cnccn1 53819501 166351547 /nfs/dbraw/zinc/35/15/47/166351547.db2.gz VGBBUELZSZJRFO-SECBINFHSA-N 0 3 193.294 2.303 10 0 AEAEHN C[C@@H]1CCSC(N[C@@H]2CC2(C)C)=N1 133595850 343923365 /nfs/dbraw/zinc/92/33/65/343923365.db2.gz MQRYIWVOYWTZAN-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)(C)N1CCN(C(C)(C)C)C1 98091684 166358648 /nfs/dbraw/zinc/35/86/48/166358648.db2.gz BHFXTQGKKPQMHZ-UHFFFAOYSA-N 0 3 184.327 2.159 10 0 AEAEHN CC(C)(C)N1Cc2cccc(N)c2C1 36683611 166358686 /nfs/dbraw/zinc/35/86/86/166358686.db2.gz OCCPFMSOQDSENB-UHFFFAOYSA-N 0 3 190.290 2.383 10 0 AEAEHN CC(C)(C)N1Cc2ccc(N)cc2C1 36683610 166360731 /nfs/dbraw/zinc/36/07/31/166360731.db2.gz ARMVQOIYYGTHLP-UHFFFAOYSA-N 0 3 190.290 2.383 10 0 AEAEHN CC(C)(C)N1[C@H]2CCC[C@@H]1CC(=O)C2 5352710 166361191 /nfs/dbraw/zinc/36/11/91/166361191.db2.gz UGFANJRQMBRULK-AOOOYVTPSA-N 0 3 195.306 2.371 10 0 AEAEHN CC(C)(C)NC1=NCc2ccccc21 196142114 166362677 /nfs/dbraw/zinc/36/26/77/166362677.db2.gz VEIZBIIRYBOIMU-UHFFFAOYSA-N 0 3 188.274 2.335 10 0 AEAEHN CC(C)(C)NCC(=O)c1ccccc1 39318868 166362906 /nfs/dbraw/zinc/36/29/06/166362906.db2.gz TYOMTBADNHAMRU-UHFFFAOYSA-N 0 3 191.274 2.257 10 0 AEAEHN CC(C)(C)NCc1cc(C2CC2)n[nH]1 41058934 166364907 /nfs/dbraw/zinc/36/49/07/166364907.db2.gz UWEOFNMPKFXKBX-UHFFFAOYSA-N 0 3 193.294 2.175 10 0 AEAEHN CC(C)(C)NCc1ccoc1 37927161 166365886 /nfs/dbraw/zinc/36/58/86/166365886.db2.gz AQHBVQVKVWXNPK-UHFFFAOYSA-N 0 3 153.225 2.168 10 0 AEAEHN CC(C)(C)[NH2+]Cc1ccc([O-])cc1F 83342757 166365894 /nfs/dbraw/zinc/36/58/94/166365894.db2.gz MGQLPNOUQZOAJZ-UHFFFAOYSA-N 0 3 197.253 2.419 10 0 AEAEHN CC(C)(C)NCc1nccs1 49804996 166365904 /nfs/dbraw/zinc/36/59/04/166365904.db2.gz TXEDNENFBCKCAD-UHFFFAOYSA-N 0 3 170.281 2.031 10 0 AEAEHN CC(C)(C)Nc1cccc(F)c1CN 71507372 166366190 /nfs/dbraw/zinc/36/61/90/166366190.db2.gz GGAJNDMJJYAEMT-UHFFFAOYSA-N 0 3 196.269 2.495 10 0 AEAEHN CC(C)(C)Nc1ccccc1CN 50423165 166369142 /nfs/dbraw/zinc/36/91/42/166369142.db2.gz QIZQPKTYWHZVFP-UHFFFAOYSA-N 0 3 178.279 2.356 10 0 AEAEHN CC(C)(C)O[C@@H](CN)c1ccco1 43337537 166372423 /nfs/dbraw/zinc/37/24/23/166372423.db2.gz RCDIUUQASCKZMI-VIFPVBQESA-N 0 3 183.251 2.095 10 0 AEAEHN CC(C)(C)Oc1ccc(CN)cc1O 95720278 166372575 /nfs/dbraw/zinc/37/25/75/166372575.db2.gz OCLXQACNJZZABO-UHFFFAOYSA-N 0 3 195.262 2.028 10 0 AEAEHN CC(C)(C)Oc1cc(O)ccc1CN 95724288 166372693 /nfs/dbraw/zinc/37/26/93/166372693.db2.gz YTTFGAQBAHLHGM-UHFFFAOYSA-N 0 3 195.262 2.028 10 0 AEAEHN CC(C)(C)O[C@H](CN)c1ccco1 43337538 166373044 /nfs/dbraw/zinc/37/30/44/166373044.db2.gz RCDIUUQASCKZMI-SECBINFHSA-N 0 3 183.251 2.095 10 0 AEAEHN CC(C)(C)OCc1occc1CN 52629641 166373094 /nfs/dbraw/zinc/37/30/94/166373094.db2.gz AYNFNQFIUIYTIN-UHFFFAOYSA-N 0 3 183.251 2.053 10 0 AEAEHN CC(C)(C)Oc1c(O)cccc1CN 95721515 166373138 /nfs/dbraw/zinc/37/31/38/166373138.db2.gz XYZPPBHMHOOFKV-UHFFFAOYSA-N 0 3 195.262 2.028 10 0 AEAEHN CC(C)(C)Oc1ccc(F)cc1CN 37238100 166373166 /nfs/dbraw/zinc/37/31/66/166373166.db2.gz RZGHTNQFWYUZDF-UHFFFAOYSA-N 0 3 197.253 2.462 10 0 AEAEHN CC(C)(C)Oc1cc(O)cc(CN)c1 95722818 166373680 /nfs/dbraw/zinc/37/36/80/166373680.db2.gz FGDNDSBTRIIXCR-UHFFFAOYSA-N 0 3 195.262 2.028 10 0 AEAEHN CC(C)(C)OCc1cc(CN)co1 52629701 166374148 /nfs/dbraw/zinc/37/41/48/166374148.db2.gz GZKQHPNEQPDFOM-UHFFFAOYSA-N 0 3 183.251 2.053 10 0 AEAEHN CC(C)(C)Oc1ccc(O)cc1CN 95719716 166374257 /nfs/dbraw/zinc/37/42/57/166374257.db2.gz VZQBXWYMMFCTCG-UHFFFAOYSA-N 0 3 195.262 2.028 10 0 AEAEHN CC(C)(C)Oc1ccsc1CN 31978559 166375018 /nfs/dbraw/zinc/37/50/18/166375018.db2.gz CTJBRVRNVKOCDB-UHFFFAOYSA-N 0 3 185.292 2.384 10 0 AEAEHN CC(C)(C)[C@@H]1CN(C2CCC2)CCO1 336250221 166375632 /nfs/dbraw/zinc/37/56/32/166375632.db2.gz OSQDQUOCQHXCKY-NSHDSACASA-N 0 3 197.322 2.286 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cncc(F)c1 49576248 166376742 /nfs/dbraw/zinc/37/67/42/166376742.db2.gz FWBZMZOOHPREEJ-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C)[C@H](N)c1cncc(F)c1 49576247 166378528 /nfs/dbraw/zinc/37/85/28/166378528.db2.gz FWBZMZOOHPREEJ-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C)[C@H]1CN(C2CCC2)CCO1 336250220 166380522 /nfs/dbraw/zinc/38/05/22/166380522.db2.gz OSQDQUOCQHXCKY-LLVKDONJSA-N 0 3 197.322 2.286 10 0 AEAEHN CC(C)(C)c1c(O)cccc1CN 95720345 166380699 /nfs/dbraw/zinc/38/06/99/166380699.db2.gz IBBBKBYAWOYNPA-UHFFFAOYSA-N 0 3 179.263 2.148 10 0 AEAEHN CC(C)(C)c1ccc(O)cc1CN 95724423 166383882 /nfs/dbraw/zinc/38/38/82/166383882.db2.gz UGRQLHKWJIHKGW-UHFFFAOYSA-N 0 3 179.263 2.148 10 0 AEAEHN CC(C)(C)c1cnc([C@H]2CCCN2)o1 40543150 166385438 /nfs/dbraw/zinc/38/54/38/166385438.db2.gz KSTUMSSFOIMDRS-MRVPVSSYSA-N 0 3 194.278 2.397 10 0 AEAEHN CC(C)(C)c1ccc2c(c1)[C@@H](N)CO2 35654656 166385847 /nfs/dbraw/zinc/38/58/47/166385847.db2.gz FPBCWHDMEKQJIP-JTQLQIEISA-N 0 3 191.274 2.376 10 0 AEAEHN CC(C)(C)c1cnc([C@@H]2CCCN2)o1 40543148 166385952 /nfs/dbraw/zinc/38/59/52/166385952.db2.gz KSTUMSSFOIMDRS-QMMMGPOBSA-N 0 3 194.278 2.397 10 0 AEAEHN CC(C)(C)c1cccc2c1OC[C@H]2N 35654986 166386354 /nfs/dbraw/zinc/38/63/54/166386354.db2.gz SIKBLDUJZZUSIT-SNVBAGLBSA-N 0 3 191.274 2.376 10 0 AEAEHN CC(C)(C)c1cccc2c1OC[C@@H]2N 35654984 166387036 /nfs/dbraw/zinc/38/70/36/166387036.db2.gz SIKBLDUJZZUSIT-JTQLQIEISA-N 0 3 191.274 2.376 10 0 AEAEHN CC(C)(C)c1ccc2c(c1)[C@H](N)CO2 35654655 166387140 /nfs/dbraw/zinc/38/71/40/166387140.db2.gz FPBCWHDMEKQJIP-SNVBAGLBSA-N 0 3 191.274 2.376 10 0 AEAEHN CC(C)(C)c1nc(C2(N)CC2)cs1 83281501 166387347 /nfs/dbraw/zinc/38/73/47/166387347.db2.gz RASKQAUHMMEXNE-UHFFFAOYSA-N 0 3 196.319 2.388 10 0 AEAEHN CC(C)(C)c1nc2c(s1)CNCC2 53335609 166388647 /nfs/dbraw/zinc/38/86/47/166388647.db2.gz RRGCOMFMKPTJLP-UHFFFAOYSA-N 0 3 196.319 2.086 10 0 AEAEHN CC(C)(C)c1nc2c([nH]1)[C@@H](N)CCC2 76091416 166389089 /nfs/dbraw/zinc/38/90/89/166389089.db2.gz LWKFPKSRAJCNDK-ZETCQYMHSA-N 0 3 193.294 2.043 10 0 AEAEHN CC(C)(C)c1nc2c([nH]1)[C@H](N)CCC2 76091415 166390075 /nfs/dbraw/zinc/39/00/75/166390075.db2.gz LWKFPKSRAJCNDK-SSDOTTSWSA-N 0 3 193.294 2.043 10 0 AEAEHN CC(C)(C)n1ccnc1[C@H]1CCCN1 75868227 166391150 /nfs/dbraw/zinc/39/11/50/166391150.db2.gz GNPKSMONHLDSDB-SECBINFHSA-N 0 3 193.294 2.063 10 0 AEAEHN Cc1cc([C@@H](N)Cc2ccoc2)co1 133692980 343925033 /nfs/dbraw/zinc/92/50/33/343925033.db2.gz WYMBVBURBXSRRB-NSHDSACASA-N 0 3 191.230 2.424 10 0 AEAEHN CC(C)(C)n1ccnc1[C@@H]1CCCN1 75868225 166392601 /nfs/dbraw/zinc/39/26/01/166392601.db2.gz GNPKSMONHLDSDB-VIFPVBQESA-N 0 3 193.294 2.063 10 0 AEAEHN CC(C)(CF)N[C@@H]1CCCSC1 307324480 166393404 /nfs/dbraw/zinc/39/34/04/166393404.db2.gz DRRDVFFFJGLZMH-MRVPVSSYSA-N 0 3 191.315 2.220 10 0 AEAEHN Cc1cc([C@H](N)Cc2ccoc2)co1 133692790 343925048 /nfs/dbraw/zinc/92/50/48/343925048.db2.gz WYMBVBURBXSRRB-LLVKDONJSA-N 0 3 191.230 2.424 10 0 AEAEHN CC(C)(CF)N[C@H]1CCCSC1 307324483 166394984 /nfs/dbraw/zinc/39/49/84/166394984.db2.gz DRRDVFFFJGLZMH-QMMMGPOBSA-N 0 3 191.315 2.220 10 0 AEAEHN CC(C)=CN1CCN(C=C(C)C)CC1 100071807 166421709 /nfs/dbraw/zinc/42/17/09/166421709.db2.gz YNGSZDZAESJMEY-UHFFFAOYSA-N 0 3 194.322 2.451 10 0 AEAEHN CC(C)CCNC1=N[C@@H](C)CS1 35294712 166444974 /nfs/dbraw/zinc/44/49/74/166444974.db2.gz LMJANCDPDIMQNE-QMMMGPOBSA-N 0 3 186.324 2.113 10 0 AEAEHN CC(C)CNc1cccc(F)c1CN 71507368 166477043 /nfs/dbraw/zinc/47/70/43/166477043.db2.gz KZYNWCADEZTPRK-UHFFFAOYSA-N 0 3 196.269 2.352 10 0 AEAEHN CC(C)COC[C@@H](N)c1ccccc1 19387465 166478145 /nfs/dbraw/zinc/47/81/45/166478145.db2.gz ODBRYOVPPWOYCJ-GFCCVEGCSA-N 0 3 193.290 2.359 10 0 AEAEHN CC(C)CSc1ncccc1CN 35719882 166480757 /nfs/dbraw/zinc/48/07/57/166480757.db2.gz QEFOIRRIAFCXQP-UHFFFAOYSA-N 0 3 196.319 2.288 10 0 AEAEHN CC(C)C[C@@](F)(CN)C(C)C 17823999 166491646 /nfs/dbraw/zinc/49/16/46/166491646.db2.gz HJBCQJRMDRAFOI-SECBINFHSA-N 0 3 161.264 2.356 10 0 AEAEHN CC(C)N[C@@H](C)c1nccn1C1CC1 95088281 166547264 /nfs/dbraw/zinc/54/72/64/166547264.db2.gz AWPWCFIHZZFEEX-VIFPVBQESA-N 0 3 193.294 2.277 10 0 AEAEHN CC(C)Sc1ncccc1CN 37687274 166565863 /nfs/dbraw/zinc/56/58/63/166565863.db2.gz ZMCVZDDRXIJVPC-UHFFFAOYSA-N 0 3 182.292 2.041 10 0 AEAEHN CC(C)[C@@H](N)c1ccnn1C(C)C 75854385 166580540 /nfs/dbraw/zinc/58/05/40/166580540.db2.gz FNIYBFAKTHCXIJ-SNVBAGLBSA-N 0 3 181.283 2.120 10 0 AEAEHN CC(C)[C@H](C)NC1=NC[C@H](C)S1 35287021 166601444 /nfs/dbraw/zinc/60/14/44/166601444.db2.gz PMCYEEWIWOZQJY-YUMQZZPRSA-N 0 3 186.324 2.112 10 0 AEAEHN CC(C)c1c[nH]c([C@H](N)C(C)C)n1 36877190 166625424 /nfs/dbraw/zinc/62/54/24/166625424.db2.gz ANUXQKXGSYHSBC-SECBINFHSA-N 0 3 181.283 2.189 10 0 AEAEHN CC(C)c1c[nH]c([C@](C)(N)C2CC2)n1 37479325 166626943 /nfs/dbraw/zinc/62/69/43/166626943.db2.gz ZBJSRIJTNPDNPX-LLVKDONJSA-N 0 3 193.294 2.117 10 0 AEAEHN CC(C)c1nc(C(C)C)n(C)c1N 104907751 166638996 /nfs/dbraw/zinc/63/89/96/166638996.db2.gz SIJMKJAHHVPWRK-UHFFFAOYSA-N 0 3 181.283 2.249 10 0 AEAEHN CC(C)c1ncc([C@@H](C)N)s1 11760654 166642703 /nfs/dbraw/zinc/64/27/03/166642703.db2.gz VMGPMHCSBLBEJW-ZCFIWIBFSA-N 0 3 170.281 2.286 10 0 AEAEHN CC/C=C(/CCC)N1CCOCC1 105847634 166658542 /nfs/dbraw/zinc/65/85/42/166658542.db2.gz VTMNZFVJYPRWCY-WZUFQYTHSA-N 0 3 183.295 2.413 10 0 AEAEHN CC/C=C(\CCC)N1CCOCC1 15782535 166659681 /nfs/dbraw/zinc/65/96/81/166659681.db2.gz VTMNZFVJYPRWCY-VZUCSPMQSA-N 0 3 183.295 2.413 10 0 AEAEHN CC1(C)C[C@H]1NCc1cncs1 54788418 166691501 /nfs/dbraw/zinc/69/15/01/166691501.db2.gz XMGJSAPNYAWQOV-MRVPVSSYSA-N 0 3 182.292 2.031 10 0 AEAEHN CC1(C)NCCO[C@@H]1c1ccccc1 1594708 166692890 /nfs/dbraw/zinc/69/28/90/166692890.db2.gz GAWYXLVYEOEEEN-LLVKDONJSA-N 0 3 191.274 2.126 10 0 AEAEHN CC1(C)NC[C@H](c2ccc(F)cc2)O1 71507015 166694039 /nfs/dbraw/zinc/69/40/39/166694039.db2.gz KGVDVIUBWLTIMZ-SNVBAGLBSA-N 0 3 195.237 2.223 10 0 AEAEHN CC1(C2CC2)CCN(CC(N)=O)CC1 336525865 166703580 /nfs/dbraw/zinc/70/35/80/166703580.db2.gz SPWWKLPPIBFUGM-UHFFFAOYSA-N 0 3 196.294 2.034 10 0 AEAEHN CCC(C)(C)O[C@@H](CN)c1ccco1 43337569 166782991 /nfs/dbraw/zinc/78/29/91/166782991.db2.gz YWRUVWXCQVTJEG-JTQLQIEISA-N 0 3 197.278 2.485 10 0 AEAEHN CCCC(=O)CN1CCCCCC1 50184100 166817547 /nfs/dbraw/zinc/81/75/47/166817547.db2.gz JTNFOPVEAGLHKT-UHFFFAOYSA-N 0 3 183.295 2.232 10 0 AEAEHN CCCCNCc1nccn1CCC 22861802 166899885 /nfs/dbraw/zinc/89/98/85/166899885.db2.gz WPLKMNUPFKJGGP-UHFFFAOYSA-N 0 3 195.310 2.183 10 0 AEAEHN CCCN[C@H](C)c1cnoc1C 40932880 167000263 /nfs/dbraw/zinc/00/02/63/167000263.db2.gz NPAXJVKMONZFSR-SSDOTTSWSA-N 0 3 168.240 2.044 10 0 AEAEHN CCCN[C@H](C)C(=O)c1ccccc1 2000312 167001033 /nfs/dbraw/zinc/00/10/33/167001033.db2.gz GXPFWFAQFTVCDU-SNVBAGLBSA-N 0 3 191.274 2.257 10 0 in-vitro AEAEHN CCCN[C@H](C)c1ncccc1C 43616936 167001132 /nfs/dbraw/zinc/00/11/32/167001132.db2.gz JPARNJGFJRRRFZ-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CCCN[C@H]1COc2c(F)cccc21 35652605 167001697 /nfs/dbraw/zinc/00/16/97/167001697.db2.gz XLSMIBRXSSNAJE-JTQLQIEISA-N 0 3 195.237 2.259 10 0 AEAEHN CCCN[C@H]1COc2ccc(C)cc21 35652663 167002611 /nfs/dbraw/zinc/00/26/11/167002611.db2.gz XPLRUAQKEREISY-NSHDSACASA-N 0 3 191.274 2.428 10 0 AEAEHN CCCN[C@H]1COc2ccc(F)cc21 35652895 167004088 /nfs/dbraw/zinc/00/40/88/167004088.db2.gz DSZZALJDRIQPGN-JTQLQIEISA-N 0 3 195.237 2.259 10 0 AEAEHN CCCN[C@H]1COc2c(C)cccc21 35652693 167004173 /nfs/dbraw/zinc/00/41/73/167004173.db2.gz LZZOMKRLCXMYFO-NSHDSACASA-N 0 3 191.274 2.428 10 0 AEAEHN CCCNc1cccc(F)c1CN 71499078 167006123 /nfs/dbraw/zinc/00/61/23/167006123.db2.gz PTZMCHCNIKSLFC-UHFFFAOYSA-N 0 3 182.242 2.106 10 0 AEAEHN CCCO[C@@H](CN)c1ccc(C)s1 43245673 167013314 /nfs/dbraw/zinc/01/33/14/167013314.db2.gz FULAIZHIWFXXEM-VIFPVBQESA-N 0 3 199.319 2.483 10 0 AEAEHN CCCO[C@@H](CN)c1sccc1C 43250295 167013672 /nfs/dbraw/zinc/01/36/72/167013672.db2.gz FZWXXQPBHGDWCO-VIFPVBQESA-N 0 3 199.319 2.483 10 0 AEAEHN CCCOC[C@@H](N)c1cccc(C)c1 41046947 167013735 /nfs/dbraw/zinc/01/37/35/167013735.db2.gz PZYPQYZOLATDSZ-GFCCVEGCSA-N 0 3 193.290 2.421 10 0 AEAEHN CCCO[C@@H](CN)c1ccsc1 43125490 167013821 /nfs/dbraw/zinc/01/38/21/167013821.db2.gz KIOHMVBPRSDDRD-VIFPVBQESA-N 0 3 185.292 2.175 10 0 AEAEHN CCCO[C@@H](CN)c1cccs1 43111430 167013982 /nfs/dbraw/zinc/01/39/82/167013982.db2.gz TWZXIDZQEWEEOV-QMMMGPOBSA-N 0 3 185.292 2.175 10 0 AEAEHN CCCO[C@@H](CN)c1ccc(C)o1 43366913 167014071 /nfs/dbraw/zinc/01/40/71/167014071.db2.gz ZGZTWWKOBQIPKQ-JTQLQIEISA-N 0 3 183.251 2.014 10 0 AEAEHN CCCOC[C@H](N)c1cccc(C)c1 41046946 167014870 /nfs/dbraw/zinc/01/48/70/167014870.db2.gz PZYPQYZOLATDSZ-LBPRGKRZSA-N 0 3 193.290 2.421 10 0 AEAEHN CCCO[C@@H](CN)c1ccccc1F 43048502 167014874 /nfs/dbraw/zinc/01/48/74/167014874.db2.gz MFNHAUZNLGPRNJ-NSHDSACASA-N 0 3 197.253 2.252 10 0 AEAEHN CCCOC[C@@H](NC)c1ccccc1 44102902 167014951 /nfs/dbraw/zinc/01/49/51/167014951.db2.gz LBYNMFVWYVDBRG-GFCCVEGCSA-N 0 3 193.290 2.374 10 0 AEAEHN CCCOC[C@H](NC)c1ccccc1 44102899 167014957 /nfs/dbraw/zinc/01/49/57/167014957.db2.gz LBYNMFVWYVDBRG-LBPRGKRZSA-N 0 3 193.290 2.374 10 0 AEAEHN CCCO[C@@H](CN)c1cccc(F)c1 42974135 167015202 /nfs/dbraw/zinc/01/52/02/167015202.db2.gz VEXBPCVRAACNEM-NSHDSACASA-N 0 3 197.253 2.252 10 0 AEAEHN CCCO[C@H](c1ccco1)[C@H](C)N 43337758 167015832 /nfs/dbraw/zinc/01/58/32/167015832.db2.gz VNHSHXDLFHGGAM-WPRPVWTQSA-N 0 3 183.251 2.095 10 0 AEAEHN CCCO[C@@H](c1ccco1)[C@@H](C)N 43337755 167016018 /nfs/dbraw/zinc/01/60/18/167016018.db2.gz VNHSHXDLFHGGAM-PSASIEDQSA-N 0 3 183.251 2.095 10 0 AEAEHN CCCO[C@H](CN)c1ccc(C)s1 43245675 167016283 /nfs/dbraw/zinc/01/62/83/167016283.db2.gz FULAIZHIWFXXEM-SECBINFHSA-N 0 3 199.319 2.483 10 0 AEAEHN CCCO[C@H](CN)c1sccc1C 43250297 167016843 /nfs/dbraw/zinc/01/68/43/167016843.db2.gz FZWXXQPBHGDWCO-SECBINFHSA-N 0 3 199.319 2.483 10 0 AEAEHN CCCO[C@H](CN)c1cccs1 43111434 167017034 /nfs/dbraw/zinc/01/70/34/167017034.db2.gz TWZXIDZQEWEEOV-MRVPVSSYSA-N 0 3 185.292 2.175 10 0 AEAEHN CCCO[C@H]1Cc2ccccc2[C@@H]1N 37025215 167017129 /nfs/dbraw/zinc/01/71/29/167017129.db2.gz BAGDTRYPLIYWRL-RYUDHWBXSA-N 0 3 191.274 2.038 10 0 AEAEHN CCCO[C@H](CN)c1cccc(F)c1 42974136 167017169 /nfs/dbraw/zinc/01/71/69/167017169.db2.gz VEXBPCVRAACNEM-LLVKDONJSA-N 0 3 197.253 2.252 10 0 AEAEHN CCCO[C@H](CN)c1ccccc1F 43048504 167017300 /nfs/dbraw/zinc/01/73/00/167017300.db2.gz MFNHAUZNLGPRNJ-LLVKDONJSA-N 0 3 197.253 2.252 10 0 AEAEHN CCCO[C@H](CN)c1ccsc1 43125491 167017309 /nfs/dbraw/zinc/01/73/09/167017309.db2.gz KIOHMVBPRSDDRD-SECBINFHSA-N 0 3 185.292 2.175 10 0 AEAEHN CCCO[C@@H]1Cc2ccccc2[C@@H]1N 37025213 167017466 /nfs/dbraw/zinc/01/74/66/167017466.db2.gz BAGDTRYPLIYWRL-NEPJUHHUSA-N 0 3 191.274 2.038 10 0 AEAEHN CCCO[C@H](CN)c1ccc(C)o1 43366914 167017493 /nfs/dbraw/zinc/01/74/93/167017493.db2.gz ZGZTWWKOBQIPKQ-SNVBAGLBSA-N 0 3 183.251 2.014 10 0 AEAEHN CCCO[C@@H]1Cc2ccccc2[C@H]1N 37025217 167017534 /nfs/dbraw/zinc/01/75/34/167017534.db2.gz BAGDTRYPLIYWRL-VXGBXAGGSA-N 0 3 191.274 2.038 10 0 AEAEHN CCCO[C@H]1Cc2ccccc2[C@H]1N 37025219 167017581 /nfs/dbraw/zinc/01/75/81/167017581.db2.gz BAGDTRYPLIYWRL-NWDGAFQWSA-N 0 3 191.274 2.038 10 0 AEAEHN CCCO[C@@H](c1ccco1)[C@H](C)N 43337757 167017677 /nfs/dbraw/zinc/01/76/77/167017677.db2.gz VNHSHXDLFHGGAM-WCBMZHEXSA-N 0 3 183.251 2.095 10 0 AEAEHN CCCOc1ccc(F)cc1CN 37238466 167018256 /nfs/dbraw/zinc/01/82/56/167018256.db2.gz LDNWCBZJCYWWJL-UHFFFAOYSA-N 0 3 183.226 2.073 10 0 AEAEHN CCCOc1ccc(C)cc1CN 70954439 167018371 /nfs/dbraw/zinc/01/83/71/167018371.db2.gz CGUWXNINCCHNNB-UHFFFAOYSA-N 0 3 179.263 2.243 10 0 AEAEHN CCCOc1ccc2c(c1)CNCC2 52919882 167018703 /nfs/dbraw/zinc/01/87/03/167018703.db2.gz RCPSKXYUCGSXJI-UHFFFAOYSA-N 0 3 191.274 2.121 10 0 AEAEHN CCCOc1cccc2c1CCNC2 90449113 167021355 /nfs/dbraw/zinc/02/13/55/167021355.db2.gz LNGURMGIWUEDDV-UHFFFAOYSA-N 0 3 191.274 2.121 10 0 AEAEHN CCCOc1cccc(F)c1CN 36307148 167021678 /nfs/dbraw/zinc/02/16/78/167021678.db2.gz GSXCSVIUMDJTLF-UHFFFAOYSA-N 0 3 183.226 2.073 10 0 AEAEHN CCCSc1ccnc(CN)c1 61812242 167023604 /nfs/dbraw/zinc/02/36/04/167023604.db2.gz NHYJQULLTHBOIQ-UHFFFAOYSA-N 0 3 182.292 2.042 10 0 AEAEHN CCCSc1ccc(CN)cn1 35719978 167023775 /nfs/dbraw/zinc/02/37/75/167023775.db2.gz VQXZZPDMSYGTMS-UHFFFAOYSA-N 0 3 182.292 2.042 10 0 AEAEHN CCCSc1ncccc1CN 35719976 167027091 /nfs/dbraw/zinc/02/70/91/167027091.db2.gz ISXYHBVXVQBRPW-UHFFFAOYSA-N 0 3 182.292 2.042 10 0 AEAEHN CCCSc1nc(C)ccc1CN 43396540 167027151 /nfs/dbraw/zinc/02/71/51/167027151.db2.gz MBXSTZJUXAHVGN-UHFFFAOYSA-N 0 3 196.319 2.351 10 0 AEAEHN NC[C@](F)(c1ccccc1)C1CC1 133909256 343929293 /nfs/dbraw/zinc/92/92/93/343929293.db2.gz YBWJGJUJMZBTCW-NSHDSACASA-N 0 3 179.238 2.220 10 0 AEAEHN CCC[C@@H](C)N(C)CC(=O)CC 50179818 167031289 /nfs/dbraw/zinc/03/12/89/167031289.db2.gz WJGPTMLXBBDFQQ-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CCC[C@@H](C)N1CC[C@H](F)C1 336262852 167031417 /nfs/dbraw/zinc/03/14/17/167031417.db2.gz GFVZSAJRMMZTHP-BDAKNGLRSA-N 0 3 159.248 2.219 10 0 AEAEHN CCC[C@@H](C)NC1=N[C@H](C)CS1 35294377 167031548 /nfs/dbraw/zinc/03/15/48/167031548.db2.gz DAAIKIGOIUQQRF-HTQZYQBOSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@@H](C)N1CCC(=O)[C@H](C)C1 49693510 167032466 /nfs/dbraw/zinc/03/24/66/167032466.db2.gz HGIMIRASIMPTEP-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@@H](C)NC1=N[C@@H](C)CS1 35294379 167032600 /nfs/dbraw/zinc/03/26/00/167032600.db2.gz DAAIKIGOIUQQRF-SFYZADRCSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@@H](C)N1CCC(=O)C[C@@H]1C 49708094 167032720 /nfs/dbraw/zinc/03/27/20/167032720.db2.gz XMMPBUBUZDPNMH-ZJUUUORDSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC[C@@H](C)N1CC[C@@H](F)C1 336262855 167032846 /nfs/dbraw/zinc/03/28/46/167032846.db2.gz GFVZSAJRMMZTHP-RKDXNWHRSA-N 0 3 159.248 2.219 10 0 AEAEHN CCC[C@@H](C)NC1=NC[C@H](C)S1 35294381 167033133 /nfs/dbraw/zinc/03/31/33/167033133.db2.gz FZAYQVNOBMRBPG-SFYZADRCSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@@H](C)NC1=NC[C@@H](C)S1 35294383 167033747 /nfs/dbraw/zinc/03/37/47/167033747.db2.gz FZAYQVNOBMRBPG-HTQZYQBOSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@@H](C)NCc1cscn1 40420447 167034561 /nfs/dbraw/zinc/03/45/61/167034561.db2.gz GQVUGMZBWHKCEB-MRVPVSSYSA-N 0 3 184.308 2.421 10 0 AEAEHN CCC[C@@H](C)NCc1ccnc(C)n1 38037273 167034989 /nfs/dbraw/zinc/03/49/89/167034989.db2.gz BYEXDWUZPCPKKM-SECBINFHSA-N 0 3 193.294 2.063 10 0 AEAEHN CCC[C@@H](C)Nc1nccn1C 50605616 167036460 /nfs/dbraw/zinc/03/64/60/167036460.db2.gz HGZLNJHIJDXWKP-MRVPVSSYSA-N 0 3 167.256 2.021 10 0 AEAEHN CCC[C@@H](C)[C@@H]1NCCS1 3599218 167037957 /nfs/dbraw/zinc/03/79/57/167037957.db2.gz KEJJWLNKKYPOIN-HTQZYQBOSA-N 0 3 159.298 2.085 10 0 AEAEHN CCC[C@@H](CC)N1CCC(=O)CC1 50404885 167039422 /nfs/dbraw/zinc/03/94/22/167039422.db2.gz YXUCRBJXPGINAB-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCC[C@@H](C)c1nc(C)n(C)c1N 105025023 167039425 /nfs/dbraw/zinc/03/94/25/167039425.db2.gz URSQNWADABVOLT-SSDOTTSWSA-N 0 3 181.283 2.214 10 0 AEAEHN CCC[C@@H](C)[C@H]1NCCS1 3599215 167039560 /nfs/dbraw/zinc/03/95/60/167039560.db2.gz KEJJWLNKKYPOIN-SFYZADRCSA-N 0 3 159.298 2.085 10 0 AEAEHN CCC[C@@H](CC)NCc1nccn1C 50404539 167040653 /nfs/dbraw/zinc/04/06/53/167040653.db2.gz QRQUXBHEPQXZJA-SNVBAGLBSA-N 0 3 195.310 2.088 10 0 AEAEHN CCC[C@@H](CC)NC1=NCCS1 50406409 167042742 /nfs/dbraw/zinc/04/27/42/167042742.db2.gz TWJVAKWJYBTVJK-MRVPVSSYSA-N 0 3 186.324 2.258 10 0 AEAEHN CCC[C@@H](N)c1csc(C)n1 82400800 167046159 /nfs/dbraw/zinc/04/61/59/167046159.db2.gz GTEQNIHHANOHDA-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@@H](NC)c1cncc(F)c1 49576420 167046656 /nfs/dbraw/zinc/04/66/56/167046656.db2.gz KJUAALROVDOSOH-SNVBAGLBSA-N 0 3 182.242 2.281 10 0 AEAEHN CCC[C@@H](NC)c1ncccc1C 43616715 167046993 /nfs/dbraw/zinc/04/69/93/167046993.db2.gz FNUXPBCOZQLDOX-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CCC[C@@H](N)c1nc2ccccc2[nH]1 19733985 167047024 /nfs/dbraw/zinc/04/70/24/167047024.db2.gz PDYPHDPLALMVJJ-MRVPVSSYSA-N 0 3 189.262 2.363 10 0 AEAEHN CCC[C@@H](NC)c1ccco1 43607348 167047212 /nfs/dbraw/zinc/04/72/12/167047212.db2.gz RCXMZLNSTMDELZ-MRVPVSSYSA-N 0 3 153.225 2.340 10 0 AEAEHN CCC[C@@H](N)c1nc2c(s1)CCC2 41059303 167047246 /nfs/dbraw/zinc/04/72/46/167047246.db2.gz QBOCDYUPFDUHDJ-SSDOTTSWSA-N 0 3 196.319 2.432 10 0 AEAEHN CCC[C@@H](N)c1cc(C)ccn1 74340012 167047566 /nfs/dbraw/zinc/04/75/66/167047566.db2.gz WJKXSTCYQKTARX-SECBINFHSA-N 0 3 164.252 2.190 10 0 AEAEHN CCC[C@@H](N)c1nc(C(C)C)c[nH]1 36873958 167047690 /nfs/dbraw/zinc/04/76/90/167047690.db2.gz NEHYHOPBGFWZCN-MRVPVSSYSA-N 0 3 181.283 2.333 10 0 AEAEHN CCC[C@@H](N)c1ncc(C)s1 36761642 167048420 /nfs/dbraw/zinc/04/84/20/167048420.db2.gz ZCFPSVMRIXNFCB-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@@H](N)c1cccc2c1OCO2 95778415 167048607 /nfs/dbraw/zinc/04/86/07/167048607.db2.gz LEAKOHHBRJLAMI-SECBINFHSA-N 0 3 193.246 2.215 10 0 AEAEHN CCC[C@@H](N)c1nc(C)cs1 41671146 167048722 /nfs/dbraw/zinc/04/87/22/167048722.db2.gz UMBNLNMUUMOGPR-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@@H](NC)c1nccs1 41060403 167048947 /nfs/dbraw/zinc/04/89/47/167048947.db2.gz ZQXKMOIMMGJIDQ-SSDOTTSWSA-N 0 3 170.281 2.204 10 0 AEAEHN CCC[C@@H](N)c1cnc2ccccn12 31911208 167048961 /nfs/dbraw/zinc/04/89/61/167048961.db2.gz WUBNGARBTLCBFU-SECBINFHSA-N 0 3 189.262 2.134 10 0 AEAEHN CCC[C@@H]1CN(C2CCC2)CCO1 307491632 167051928 /nfs/dbraw/zinc/05/19/28/167051928.db2.gz GKAJCHVNMQGUHZ-LLVKDONJSA-N 0 3 183.295 2.040 10 0 AEAEHN CCC[C@@H]1NCCn2c(C)ccc21 16945700 167056810 /nfs/dbraw/zinc/05/68/10/167056810.db2.gz REUBRCKJWHRYCE-JTQLQIEISA-N 0 3 178.279 2.241 10 0 AEAEHN CCC[C@@](C)(NC)c1nccs1 41060292 167057904 /nfs/dbraw/zinc/05/79/04/167057904.db2.gz SAKLNFKVTJAIID-SECBINFHSA-N 0 3 184.308 2.378 10 0 AEAEHN CCC[C@@](C)(N)c1nccs1 41059833 167059242 /nfs/dbraw/zinc/05/92/42/167059242.db2.gz NDUDLMZCDZOMRP-MRVPVSSYSA-N 0 3 170.281 2.117 10 0 AEAEHN CCC[C@@](C)(N)c1nc(C)cs1 41059719 167059376 /nfs/dbraw/zinc/05/93/76/167059376.db2.gz QXYBBTREXRARDL-SECBINFHSA-N 0 3 184.308 2.426 10 0 AEAEHN CCC[C@@](F)(C=C(C)C)CN 17807895 167059784 /nfs/dbraw/zinc/05/97/84/167059784.db2.gz SIJALSKOTCSOSP-SECBINFHSA-N 0 3 159.248 2.420 10 0 AEAEHN CCC[C@H](C)N1CCC(=O)[C@H](C)C1 49693511 167066236 /nfs/dbraw/zinc/06/62/36/167066236.db2.gz HGIMIRASIMPTEP-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@H](C)N1CCC(=O)C[C@@H]1C 49708096 167067161 /nfs/dbraw/zinc/06/71/61/167067161.db2.gz XMMPBUBUZDPNMH-UWVGGRQHSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC[C@H](C)N(C)CC(=O)CC 50179819 167068467 /nfs/dbraw/zinc/06/84/67/167068467.db2.gz WJGPTMLXBBDFQQ-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CCC[C@H](C)N1CC[C@@H](F)C1 336262853 167068670 /nfs/dbraw/zinc/06/86/70/167068670.db2.gz GFVZSAJRMMZTHP-DTWKUNHWSA-N 0 3 159.248 2.219 10 0 AEAEHN CCC[C@H](C)N1CC[C@H](F)C1 336262854 167069093 /nfs/dbraw/zinc/06/90/93/167069093.db2.gz GFVZSAJRMMZTHP-IUCAKERBSA-N 0 3 159.248 2.219 10 0 AEAEHN CCC[C@H](C)NC1=NC[C@H](C)S1 35294382 167069744 /nfs/dbraw/zinc/06/97/44/167069744.db2.gz FZAYQVNOBMRBPG-YUMQZZPRSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@H](C)NCc1ccnc(C)n1 38037274 167070927 /nfs/dbraw/zinc/07/09/27/167070927.db2.gz BYEXDWUZPCPKKM-VIFPVBQESA-N 0 3 193.294 2.063 10 0 AEAEHN CCC[C@H](C)NC1=NC[C@@H](C)S1 35294384 167070986 /nfs/dbraw/zinc/07/09/86/167070986.db2.gz FZAYQVNOBMRBPG-JGVFFNPUSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@H](C)NC1=N[C@@H](C)CS1 35294380 167071024 /nfs/dbraw/zinc/07/10/24/167071024.db2.gz DAAIKIGOIUQQRF-YUMQZZPRSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@H](C)NC1=N[C@H](C)CS1 35294378 167071334 /nfs/dbraw/zinc/07/13/34/167071334.db2.gz DAAIKIGOIUQQRF-JGVFFNPUSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC[C@H](C)NCc1cscn1 40420449 167071629 /nfs/dbraw/zinc/07/16/29/167071629.db2.gz GQVUGMZBWHKCEB-QMMMGPOBSA-N 0 3 184.308 2.421 10 0 AEAEHN CCC[C@H](C)Nc1nccn1C 50605620 167073147 /nfs/dbraw/zinc/07/31/47/167073147.db2.gz HGZLNJHIJDXWKP-QMMMGPOBSA-N 0 3 167.256 2.021 10 0 AEAEHN CCC[C@H](C)[C@@H]1NCCS1 3599220 167073645 /nfs/dbraw/zinc/07/36/45/167073645.db2.gz KEJJWLNKKYPOIN-JGVFFNPUSA-N 0 3 159.298 2.085 10 0 AEAEHN CCC[C@H](C)c1nc(C)n(C)c1N 105025026 167074632 /nfs/dbraw/zinc/07/46/32/167074632.db2.gz 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ZCFPSVMRIXNFCB-ZETCQYMHSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@H](N)c1nc(C)cs1 41671143 167081906 /nfs/dbraw/zinc/08/19/06/167081906.db2.gz UMBNLNMUUMOGPR-ZETCQYMHSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@H](N)c1nc2c(s1)CCC2 41059302 167082251 /nfs/dbraw/zinc/08/22/51/167082251.db2.gz QBOCDYUPFDUHDJ-ZETCQYMHSA-N 0 3 196.319 2.432 10 0 AEAEHN CCC[C@H](N)c1cc(C)ccn1 74340011 167082585 /nfs/dbraw/zinc/08/25/85/167082585.db2.gz WJKXSTCYQKTARX-VIFPVBQESA-N 0 3 164.252 2.190 10 0 AEAEHN CCC[C@H](N)c1cccc2c1OCO2 95765104 167083116 /nfs/dbraw/zinc/08/31/16/167083116.db2.gz LEAKOHHBRJLAMI-VIFPVBQESA-N 0 3 193.246 2.215 10 0 AEAEHN CCC[C@H](N)c1cnc2ccccn12 31911211 167083380 /nfs/dbraw/zinc/08/33/80/167083380.db2.gz WUBNGARBTLCBFU-VIFPVBQESA-N 0 3 189.262 2.134 10 0 AEAEHN CCC[C@H](N)c1nc2ccccc2[nH]1 19733986 167083588 /nfs/dbraw/zinc/08/35/88/167083588.db2.gz PDYPHDPLALMVJJ-QMMMGPOBSA-N 0 3 189.262 2.363 10 0 AEAEHN CCC[C@H](N)c1nc(C(C)C)c[nH]1 36873957 167083613 /nfs/dbraw/zinc/08/36/13/167083613.db2.gz NEHYHOPBGFWZCN-QMMMGPOBSA-N 0 3 181.283 2.333 10 0 AEAEHN CCC[C@H](NC)c1cncc(F)c1 49576419 167085022 /nfs/dbraw/zinc/08/50/22/167085022.db2.gz KJUAALROVDOSOH-JTQLQIEISA-N 0 3 182.242 2.281 10 0 AEAEHN CCC[C@H](NC)c1nccs1 41060402 167085054 /nfs/dbraw/zinc/08/50/54/167085054.db2.gz ZQXKMOIMMGJIDQ-ZETCQYMHSA-N 0 3 170.281 2.204 10 0 AEAEHN CCC[C@H](NC)c1ncccc1C 43616714 167085830 /nfs/dbraw/zinc/08/58/30/167085830.db2.gz FNUXPBCOZQLDOX-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CCC[C@H]1CN(C2CCC2)CCO1 307491634 167090082 /nfs/dbraw/zinc/09/00/82/167090082.db2.gz GKAJCHVNMQGUHZ-NSHDSACASA-N 0 3 183.295 2.040 10 0 AEAEHN CCC[C@H]1NCCn2c(C)ccc21 16945703 167091129 /nfs/dbraw/zinc/09/11/29/167091129.db2.gz REUBRCKJWHRYCE-SNVBAGLBSA-N 0 3 178.279 2.241 10 0 AEAEHN CCC[C@](C)(N)c1nccs1 41059832 167092589 /nfs/dbraw/zinc/09/25/89/167092589.db2.gz NDUDLMZCDZOMRP-QMMMGPOBSA-N 0 3 170.281 2.117 10 0 AEAEHN CCC[C@](C)(N)c1nc(C)cs1 41059718 167093176 /nfs/dbraw/zinc/09/31/76/167093176.db2.gz QXYBBTREXRARDL-VIFPVBQESA-N 0 3 184.308 2.426 10 0 AEAEHN CCC[C@](F)(C=C(C)C)CN 17807890 167093707 /nfs/dbraw/zinc/09/37/07/167093707.db2.gz SIJALSKOTCSOSP-VIFPVBQESA-N 0 3 159.248 2.420 10 0 AEAEHN CCC[C@](C)(NC)c1nccs1 41060291 167093803 /nfs/dbraw/zinc/09/38/03/167093803.db2.gz SAKLNFKVTJAIID-VIFPVBQESA-N 0 3 184.308 2.378 10 0 AEAEHN CCCc1cc(CNC(C)(C)C)[nH]n1 50479414 167098476 /nfs/dbraw/zinc/09/84/76/167098476.db2.gz YJJCUBFCXNTBPG-UHFFFAOYSA-N 0 3 195.310 2.250 10 0 AEAEHN CCCc1cc(CC)cc(N)n1 21817 167100832 /nfs/dbraw/zinc/10/08/32/167100832.db2.gz HEMNVKNSUYCVCZ-UHFFFAOYSA-N 0 3 164.252 2.179 10 0 AEAEHN CCCc1cc([C@H]2CCCCN2)on1 45206789 167102779 /nfs/dbraw/zinc/10/27/79/167102779.db2.gz JRVCOMKDADAZBC-SNVBAGLBSA-N 0 3 194.278 2.442 10 0 AEAEHN CCCc1cc([C@@H]2CCCCN2)on1 45206788 167102974 /nfs/dbraw/zinc/10/29/74/167102974.db2.gz JRVCOMKDADAZBC-JTQLQIEISA-N 0 3 194.278 2.442 10 0 AEAEHN CCCc1ccc([C@@H]2CNCO2)cc1 82530443 167103065 /nfs/dbraw/zinc/10/30/65/167103065.db2.gz CNOCJQDCQIUEHN-LBPRGKRZSA-N 0 3 191.274 2.258 10 0 AEAEHN CCCc1ccc([C@@H](N)COC)cc1 23070922 167104216 /nfs/dbraw/zinc/10/42/16/167104216.db2.gz ATDQXQHVENIGBF-LBPRGKRZSA-N 0 3 193.290 2.285 10 0 AEAEHN CCCc1ccc([C@H](N)COC)cc1 23070924 167104802 /nfs/dbraw/zinc/10/48/02/167104802.db2.gz ATDQXQHVENIGBF-GFCCVEGCSA-N 0 3 193.290 2.285 10 0 AEAEHN CCCc1ccc([C@H]2CNCO2)cc1 82530444 167105503 /nfs/dbraw/zinc/10/55/03/167105503.db2.gz CNOCJQDCQIUEHN-GFCCVEGCSA-N 0 3 191.274 2.258 10 0 AEAEHN CCCc1ccc2c(c1)[C@H](N)CO2 53331520 167106049 /nfs/dbraw/zinc/10/60/49/167106049.db2.gz YOIMZJUWFFFBLX-SNVBAGLBSA-N 0 3 177.247 2.031 10 0 AEAEHN CCCN[C@H]1COc2ccccc21 35652711 167002985 /nfs/dbraw/zinc/00/29/85/167002985.db2.gz BIZCDZMUDORHKH-JTQLQIEISA-N 0 3 177.247 2.120 10 0 AEAEHN CCCc1ccc2c(c1)[C@@H](N)CCO2 53331461 167106865 /nfs/dbraw/zinc/10/68/65/167106865.db2.gz PICZUMHDEJTDBP-NSHDSACASA-N 0 3 191.274 2.421 10 0 AEAEHN CCCc1ccc2c(c1)[C@H](NC)CO2 53331566 167106933 /nfs/dbraw/zinc/10/69/33/167106933.db2.gz GNTFKYDJHIDKJO-LLVKDONJSA-N 0 3 191.274 2.292 10 0 AEAEHN CCCc1csc(C(C)(C)N)n1 50192925 167107027 /nfs/dbraw/zinc/10/70/27/167107027.db2.gz GDRLOFUJHPJMJM-UHFFFAOYSA-N 0 3 184.308 2.289 10 0 AEAEHN CCCc1ccc2c(c1)[C@@H](N)CO2 53331524 167107119 /nfs/dbraw/zinc/10/71/19/167107119.db2.gz YOIMZJUWFFFBLX-JTQLQIEISA-N 0 3 177.247 2.031 10 0 AEAEHN CCCc1ccc2c(c1)[C@H](N)CCO2 53331458 167107395 /nfs/dbraw/zinc/10/73/95/167107395.db2.gz PICZUMHDEJTDBP-LLVKDONJSA-N 0 3 191.274 2.421 10 0 AEAEHN CCCc1csc(C2(N)CCC2)n1 61713586 167107663 /nfs/dbraw/zinc/10/76/63/167107663.db2.gz YEKCFWLBSJGCNJ-UHFFFAOYSA-N 0 3 196.319 2.434 10 0 AEAEHN CCCc1csc([C@@H](C)N)n1 50192910 167107945 /nfs/dbraw/zinc/10/79/45/167107945.db2.gz PJALADOSHFKPKU-ZCFIWIBFSA-N 0 3 170.281 2.115 10 0 AEAEHN CCCc1ccc2c(c1)[C@@H](NC)CO2 53331570 167108182 /nfs/dbraw/zinc/10/81/82/167108182.db2.gz GNTFKYDJHIDKJO-NSHDSACASA-N 0 3 191.274 2.292 10 0 AEAEHN CCCc1nc(C)c(CNC)s1 52330157 167109012 /nfs/dbraw/zinc/10/90/12/167109012.db2.gz JYHFYPHSPOGSBL-UHFFFAOYSA-N 0 3 184.308 2.123 10 0 AEAEHN CCCc1nc(C)n(C(C)C)c1N 105025065 167109156 /nfs/dbraw/zinc/10/91/56/167109156.db2.gz IQRJPJRVBJETKK-UHFFFAOYSA-N 0 3 181.283 2.307 10 0 AEAEHN CCCc1nc(CC)sc1CN 82426474 167109168 /nfs/dbraw/zinc/10/91/68/167109168.db2.gz CHALXOYBELCCMH-UHFFFAOYSA-N 0 3 184.308 2.117 10 0 AEAEHN CCCc1nc(C(C)C)n(C)c1N 105025344 167109486 /nfs/dbraw/zinc/10/94/86/167109486.db2.gz BKRPEWLKPBLQKX-UHFFFAOYSA-N 0 3 181.283 2.078 10 0 AEAEHN CCCc1nc(CC)sc1CNC 82432081 167109619 /nfs/dbraw/zinc/10/96/19/167109619.db2.gz FTNKTWBOSXTJNV-UHFFFAOYSA-N 0 3 198.335 2.377 10 0 AEAEHN CCCc1nc(C(C)C)c(N)n1C 105025315 167109633 /nfs/dbraw/zinc/10/96/33/167109633.db2.gz UTJVEJQRAXTFPO-UHFFFAOYSA-N 0 3 181.283 2.078 10 0 AEAEHN CCCc1nc(C2CC2)sc1CN 82427982 167109773 /nfs/dbraw/zinc/10/97/73/167109773.db2.gz MNDCXJVRFKUXRP-UHFFFAOYSA-N 0 3 196.319 2.432 10 0 AEAEHN CCCc1nc(C)c([C@H](C)N)s1 40994136 167109909 /nfs/dbraw/zinc/10/99/09/167109909.db2.gz HQSJUTBJWDUJDV-LURJTMIESA-N 0 3 184.308 2.424 10 0 AEAEHN CCCc1nc(C2CC2)c(CN)s1 82435446 167110013 /nfs/dbraw/zinc/11/00/13/167110013.db2.gz ZYHPIZDMNCHSCZ-UHFFFAOYSA-N 0 3 196.319 2.432 10 0 AEAEHN CCCc1nc(C)c(N)n1C(C)C 105025330 167110051 /nfs/dbraw/zinc/11/00/51/167110051.db2.gz FVRJUYZIQONDOJ-UHFFFAOYSA-N 0 3 181.283 2.307 10 0 AEAEHN CCCc1nc(C)c([C@@H](C)N)s1 40994133 167110297 /nfs/dbraw/zinc/11/02/97/167110297.db2.gz HQSJUTBJWDUJDV-ZCFIWIBFSA-N 0 3 184.308 2.424 10 0 AEAEHN CCCc1nc(C)n(C(C)(C)C)c1N 105025101 167110455 /nfs/dbraw/zinc/11/04/55/167110455.db2.gz MNNYENLITAJXOU-UHFFFAOYSA-N 0 3 195.310 2.481 10 0 AEAEHN CCCc1nc(C(C)(C)C)c(N)n1C 105025318 167110517 /nfs/dbraw/zinc/11/05/17/167110517.db2.gz SWKFUUYBHGMSEJ-UHFFFAOYSA-N 0 3 195.310 2.252 10 0 AEAEHN CCCc1nc(C)n(C2CC2)c1N 105025082 167110587 /nfs/dbraw/zinc/11/05/87/167110587.db2.gz HOKKJPDIWJHZBV-UHFFFAOYSA-N 0 3 179.267 2.061 10 0 AEAEHN CCCc1nc([C@@H](C)N)cs1 41627819 167110680 /nfs/dbraw/zinc/11/06/80/167110680.db2.gz CCYXGEYZUKSQCF-ZCFIWIBFSA-N 0 3 170.281 2.115 10 0 AEAEHN CCCc1nc(C)c(N)n1C1CC1 105025333 167110881 /nfs/dbraw/zinc/11/08/81/167110881.db2.gz IERMXBAGXSJAIU-UHFFFAOYSA-N 0 3 179.267 2.061 10 0 AEAEHN CCCc1nc(C)c(N)n1C(C)(C)C 105025337 167110908 /nfs/dbraw/zinc/11/09/08/167110908.db2.gz CZZTWOCBCCCRBV-UHFFFAOYSA-N 0 3 195.310 2.481 10 0 AEAEHN CCCc1nc(C)sc1CNC 82426356 167111064 /nfs/dbraw/zinc/11/10/64/167111064.db2.gz RELDTSVYKOGXNA-UHFFFAOYSA-N 0 3 184.308 2.123 10 0 AEAEHN CCCc1nc(CC)c(CN)s1 82422797 167111465 /nfs/dbraw/zinc/11/14/65/167111465.db2.gz ODWZQIKZFRRBNJ-UHFFFAOYSA-N 0 3 184.308 2.117 10 0 AEAEHN CCCc1nc(CC)c(CNC)s1 82422779 167111650 /nfs/dbraw/zinc/11/16/50/167111650.db2.gz CTKPDUFBBWYKRU-UHFFFAOYSA-N 0 3 198.335 2.377 10 0 AEAEHN CCCc1nc([C@H](C)N)cs1 41627822 167112416 /nfs/dbraw/zinc/11/24/16/167112416.db2.gz CCYXGEYZUKSQCF-LURJTMIESA-N 0 3 170.281 2.115 10 0 AEAEHN CCCc1nc2c(s1)[C@H](N)CCC2 50329866 167112424 /nfs/dbraw/zinc/11/24/24/167112424.db2.gz IDQNHAZGVRDDRN-SSDOTTSWSA-N 0 3 196.319 2.432 10 0 AEAEHN CCCc1nc2c(s1)[C@@H](N)CCC2 50329867 167112466 /nfs/dbraw/zinc/11/24/66/167112466.db2.gz IDQNHAZGVRDDRN-ZETCQYMHSA-N 0 3 196.319 2.432 10 0 AEAEHN CCCc1sc([C@H](C)N)nc1C 83340952 167114349 /nfs/dbraw/zinc/11/43/49/167114349.db2.gz DRUYNTJJRGCWTQ-LURJTMIESA-N 0 3 184.308 2.424 10 0 AEAEHN CCCn1c(C(C)(C)C)nc(C)c1N 105025464 167115701 /nfs/dbraw/zinc/11/57/01/167115701.db2.gz LFJSWIGXLQMMRY-UHFFFAOYSA-N 0 3 195.310 2.481 10 0 AEAEHN CCCn1c(C(C)C)nc(C)c1N 105025370 167116160 /nfs/dbraw/zinc/11/61/60/167116160.db2.gz ZCBLXCKAOYZHHU-UHFFFAOYSA-N 0 3 181.283 2.307 10 0 AEAEHN CCCc1sc(C2(N)CC2)nc1C 83342614 167116334 /nfs/dbraw/zinc/11/63/34/167116334.db2.gz KUVHBMPXIIMOAM-UHFFFAOYSA-N 0 3 196.319 2.352 10 0 AEAEHN CCCn1c(C2CC2)nc(C)c1N 105025426 167117381 /nfs/dbraw/zinc/11/73/81/167117381.db2.gz KKVMWZZXYRDCHT-UHFFFAOYSA-N 0 3 179.267 2.061 10 0 AEAEHN CCCn1c(C)nc(C(C)C)c1N 105025051 167118167 /nfs/dbraw/zinc/11/81/67/167118167.db2.gz XAQCAWWVHXFKMK-UHFFFAOYSA-N 0 3 181.283 2.307 10 0 AEAEHN CCCn1c(C)nc(C(C)(C)C)c1N 105025055 167118207 /nfs/dbraw/zinc/11/82/07/167118207.db2.gz JUVNSVJKSFDVSL-UHFFFAOYSA-N 0 3 195.310 2.481 10 0 AEAEHN CCCn1cc([C@@H]2CCCCN2)cn1 62772412 167118279 /nfs/dbraw/zinc/11/82/79/167118279.db2.gz YIEBOMMUFHHYDC-NSHDSACASA-N 0 3 193.294 2.108 10 0 AEAEHN CCCn1cc([C@H](N)C(C)(C)C)cn1 43469330 167118405 /nfs/dbraw/zinc/11/84/05/167118405.db2.gz SCBIBTWZWVABHG-JTQLQIEISA-N 0 3 195.310 2.339 10 0 AEAEHN CCCn1c(C)nc(C2CC2)c1N 105025059 167118641 /nfs/dbraw/zinc/11/86/41/167118641.db2.gz LUOYPCWRGQEHTN-UHFFFAOYSA-N 0 3 179.267 2.061 10 0 AEAEHN CCCn1c(N)nc2cc(C)ccc21 36899216 167118953 /nfs/dbraw/zinc/11/89/53/167118953.db2.gz BWGMMBPICQYDIB-UHFFFAOYSA-N 0 3 189.262 2.337 10 0 AEAEHN CCCn1c(N)nc2ccc(F)cc21 52122804 167119081 /nfs/dbraw/zinc/11/90/81/167119081.db2.gz CLTPGPFVAMKLEN-UHFFFAOYSA-N 0 3 193.225 2.168 10 0 AEAEHN CCCn1c(CNCC)nc(C)c1C 45205797 167119645 /nfs/dbraw/zinc/11/96/45/167119645.db2.gz JQZUUXLZEPGMNQ-UHFFFAOYSA-N 0 3 195.310 2.019 10 0 AEAEHN CCCn1cc([C@@H](N)C(C)(C)C)cn1 43469332 167119738 /nfs/dbraw/zinc/11/97/38/167119738.db2.gz SCBIBTWZWVABHG-SNVBAGLBSA-N 0 3 195.310 2.339 10 0 AEAEHN CCCn1cc([C@H]2CCCCN2)cn1 62772413 167119803 /nfs/dbraw/zinc/11/98/03/167119803.db2.gz YIEBOMMUFHHYDC-LLVKDONJSA-N 0 3 193.294 2.108 10 0 AEAEHN CCCn1ccnc1CN[C@@H](C)CC 22861866 167120389 /nfs/dbraw/zinc/12/03/89/167120389.db2.gz CVNUCKWMSKNQFO-JTQLQIEISA-N 0 3 195.310 2.181 10 0 AEAEHN CCCn1cccc1CNC1CC1 45205837 167120602 /nfs/dbraw/zinc/12/06/02/167120602.db2.gz XFRDSQFHXMMNFX-UHFFFAOYSA-N 0 3 178.279 2.150 10 0 AEAEHN CCCn1ccnc1CN[C@H](C)CC 22861871 167121711 /nfs/dbraw/zinc/12/17/11/167121711.db2.gz CVNUCKWMSKNQFO-SNVBAGLBSA-N 0 3 195.310 2.181 10 0 AEAEHN CCCn1ccnc1CNCC(C)C 22861825 167122417 /nfs/dbraw/zinc/12/24/17/167122417.db2.gz ACVPKSWAOALBAS-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CCCn1ncc(CNC(C)C)c1C 42355962 167123508 /nfs/dbraw/zinc/12/35/08/167123508.db2.gz IBDCDMNQUMRBEH-UHFFFAOYSA-N 0 3 195.310 2.100 10 0 AEAEHN CCCn1ncc([C@H](C)NCC)c1C 40932958 167125119 /nfs/dbraw/zinc/12/51/19/167125119.db2.gz RQHNKTIXBMVGPN-VIFPVBQESA-N 0 3 195.310 2.272 10 0 AEAEHN CCCn1ncc([C@@H](C)NCC)c1C 40932957 167125252 /nfs/dbraw/zinc/12/52/52/167125252.db2.gz RQHNKTIXBMVGPN-SECBINFHSA-N 0 3 195.310 2.272 10 0 AEAEHN CCN(C(C)C)[C@H]1CCCCC1=O 37334420 167131020 /nfs/dbraw/zinc/13/10/20/167131020.db2.gz KKAZYXURHJVVIE-JTQLQIEISA-N 0 3 183.295 2.228 10 0 AEAEHN CCN(C(C)C)[C@@H]1CCCCC1=O 37334418 167132156 /nfs/dbraw/zinc/13/21/56/167132156.db2.gz KKAZYXURHJVVIE-SNVBAGLBSA-N 0 3 183.295 2.228 10 0 AEAEHN CCN(C)CCC(=O)c1ccccc1 22114128 167140189 /nfs/dbraw/zinc/14/01/89/167140189.db2.gz CPEZKEHLXPBCQY-UHFFFAOYSA-N 0 3 191.274 2.211 10 0 AEAEHN CCN(C)[C@@H](CN)c1sccc1C 37078412 167144321 /nfs/dbraw/zinc/14/43/21/167144321.db2.gz KUVHVCSZRGSWKD-VIFPVBQESA-N 0 3 198.335 2.008 10 0 AEAEHN CCN(C)Cc1cccc2c1NCC2 130477617 167144575 /nfs/dbraw/zinc/14/45/75/167144575.db2.gz ZTAVVSNMZDDLTC-UHFFFAOYSA-N 0 3 190.290 2.106 10 0 AEAEHN CCN(C)Cc1cc2cccnc2o1 336228420 167145317 /nfs/dbraw/zinc/14/53/17/167145317.db2.gz LUZMPOXGNZLIPK-UHFFFAOYSA-N 0 3 190.246 2.280 10 0 AEAEHN CCN(C)Cc1ccc(Cl)cc1N 50442886 167145885 /nfs/dbraw/zinc/14/58/85/167145885.db2.gz VJESHNXNZIFZIE-UHFFFAOYSA-N 0 3 198.697 2.374 10 0 AEAEHN CCN(C)[C@@H](CN)c1ccc(C)s1 37078442 167146792 /nfs/dbraw/zinc/14/67/92/167146792.db2.gz FYDLAPKOOSTIOW-VIFPVBQESA-N 0 3 198.335 2.008 10 0 AEAEHN CCN(C)Cc1ccc(Cl)nc1 13444136 167146920 /nfs/dbraw/zinc/14/69/20/167146920.db2.gz AOGIRNYPTIEBJZ-UHFFFAOYSA-N 0 3 184.670 2.187 10 0 AEAEHN CCN(C)Cc1ccc2c(n1)CCC2 334557525 167147282 /nfs/dbraw/zinc/14/72/82/167147282.db2.gz CEKPHEXZBDUZDU-UHFFFAOYSA-N 0 3 190.290 2.022 10 0 AEAEHN CCN(C)Cc1sc(C)nc1C 336553675 167147982 /nfs/dbraw/zinc/14/79/82/167147982.db2.gz UBDCIPSHFHNVEM-UHFFFAOYSA-N 0 3 184.308 2.212 10 0 AEAEHN CCN(C)[C@H](CN)c1sccc1C 37078413 167149029 /nfs/dbraw/zinc/14/90/29/167149029.db2.gz KUVHVCSZRGSWKD-SECBINFHSA-N 0 3 198.335 2.008 10 0 AEAEHN CCN(C)c1ccc(Cl)cc1CN 52856641 167149104 /nfs/dbraw/zinc/14/91/04/167149104.db2.gz VKGMPSAMSYABFK-UHFFFAOYSA-N 0 3 198.697 2.255 10 0 AEAEHN CCN(C)c1ccc(F)cc1CNC 37236555 167149196 /nfs/dbraw/zinc/14/91/96/167149196.db2.gz JFAJWXYGYXTCMF-UHFFFAOYSA-N 0 3 196.269 2.001 10 0 AEAEHN CCN(C)c1ccc(F)cc1[C@H](C)N 37078975 167149632 /nfs/dbraw/zinc/14/96/32/167149632.db2.gz KFDOSNBABUQVSH-QMMMGPOBSA-N 0 3 196.269 2.302 10 0 AEAEHN CCN(C)c1cc(Cl)ccc1CN 62786767 167149722 /nfs/dbraw/zinc/14/97/22/167149722.db2.gz CCYBVMMWGREJDX-UHFFFAOYSA-N 0 3 198.697 2.255 10 0 AEAEHN CCN(C)c1cccc(F)c1[C@@H](C)N 37078970 167150496 /nfs/dbraw/zinc/15/04/96/167150496.db2.gz VFRUESRFBVJCIU-MRVPVSSYSA-N 0 3 196.269 2.302 10 0 AEAEHN CCN(C)c1cccc(F)c1[C@H](C)N 37078971 167150943 /nfs/dbraw/zinc/15/09/43/167150943.db2.gz VFRUESRFBVJCIU-QMMMGPOBSA-N 0 3 196.269 2.302 10 0 AEAEHN CCN(C)[C@H](CN)c1ccc(C)s1 37078443 167150959 /nfs/dbraw/zinc/15/09/59/167150959.db2.gz FYDLAPKOOSTIOW-SECBINFHSA-N 0 3 198.335 2.008 10 0 AEAEHN CCN(C)c1cccc(Cl)c1CN 37079105 167151296 /nfs/dbraw/zinc/15/12/96/167151296.db2.gz CSRRNJLHKVCOAB-UHFFFAOYSA-N 0 3 198.697 2.255 10 0 AEAEHN CCN(C)c1ccc(F)cc1[C@@H](C)N 37078974 167151320 /nfs/dbraw/zinc/15/13/20/167151320.db2.gz KFDOSNBABUQVSH-MRVPVSSYSA-N 0 3 196.269 2.302 10 0 AEAEHN CCN(C1CC1)[C@@H]1CCCCCC1=O 37661045 167154180 /nfs/dbraw/zinc/15/41/80/167154180.db2.gz QQDQWTFRJSJWAL-LLVKDONJSA-N 0 3 195.306 2.373 10 0 AEAEHN CCN(C1CC1)[C@H]1CCCCCC1=O 37661046 167155640 /nfs/dbraw/zinc/15/56/40/167155640.db2.gz QQDQWTFRJSJWAL-NSHDSACASA-N 0 3 195.306 2.373 10 0 AEAEHN CCN(CC)C[C@@H](N)c1cccs1 19821509 167165615 /nfs/dbraw/zinc/16/56/15/167165615.db2.gz FREBIJCJQURFLE-SECBINFHSA-N 0 3 198.335 2.090 10 0 AEAEHN CCN(CC)C[C@H](N)c1cccs1 19821511 167170462 /nfs/dbraw/zinc/17/04/62/167170462.db2.gz FREBIJCJQURFLE-VIFPVBQESA-N 0 3 198.335 2.090 10 0 AEAEHN CCN(CC)Cc1ccc(CO)s1 45206486 167171144 /nfs/dbraw/zinc/17/11/44/167171144.db2.gz MMYXNJZTCKTPTN-UHFFFAOYSA-N 0 3 199.319 2.082 10 0 AEAEHN CCN(CC)[C@H](c1ccco1)[C@@H](C)N 43334318 167171887 /nfs/dbraw/zinc/17/18/87/167171887.db2.gz DEZBZLRCFRROAX-KOLCDFICSA-N 0 3 196.294 2.010 10 0 AEAEHN CCN(CC)c1ccc(F)cc1CN 37235962 167172490 /nfs/dbraw/zinc/17/24/90/167172490.db2.gz VYSUMBGFNZNBIA-UHFFFAOYSA-N 0 3 196.269 2.131 10 0 AEAEHN CCN(CC)c1cc(C)c(N)c(C)n1 77278325 167172683 /nfs/dbraw/zinc/17/26/83/167172683.db2.gz DRVJPSHKCNUNJG-UHFFFAOYSA-N 0 3 193.294 2.127 10 0 AEAEHN CCN(CC)[C@H](c1ccco1)[C@H](C)N 43334320 167173022 /nfs/dbraw/zinc/17/30/22/167173022.db2.gz DEZBZLRCFRROAX-ONGXEEELSA-N 0 3 196.294 2.010 10 0 AEAEHN CCN(CC)[C@H]1CCCCCC1=O 37660904 167174197 /nfs/dbraw/zinc/17/41/97/167174197.db2.gz WKEOTJVMMXKXLZ-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN CCN(CC)c1nc([C@@H](C)N)cs1 70844334 167175940 /nfs/dbraw/zinc/17/59/40/167175940.db2.gz MCKJPYAYUITCBD-SSDOTTSWSA-N 0 3 199.323 2.009 10 0 AEAEHN CCN(CC)c1ncc([C@@H](C)N)s1 54864170 167176325 /nfs/dbraw/zinc/17/63/25/167176325.db2.gz AXTHTBYKISPUQF-SSDOTTSWSA-N 0 3 199.323 2.009 10 0 AEAEHN CCN(CC)c1nc([C@H](C)N)cs1 70844337 167177137 /nfs/dbraw/zinc/17/71/37/167177137.db2.gz MCKJPYAYUITCBD-ZETCQYMHSA-N 0 3 199.323 2.009 10 0 AEAEHN CCN(CC)c1ncc([C@H](C)N)s1 54864171 167177549 /nfs/dbraw/zinc/17/75/49/167177549.db2.gz AXTHTBYKISPUQF-ZETCQYMHSA-N 0 3 199.323 2.009 10 0 AEAEHN CN1CCC[C@H](Nc2ccsc2)C1 134289669 343938628 /nfs/dbraw/zinc/93/86/28/343938628.db2.gz QVJUCSQSDYQMPH-VIFPVBQESA-N 0 3 196.319 2.254 10 0 AEAEHN CN1CCC[C@@H](Nc2ccsc2)C1 134289694 343938663 /nfs/dbraw/zinc/93/86/63/343938663.db2.gz QVJUCSQSDYQMPH-SECBINFHSA-N 0 3 196.319 2.254 10 0 AEAEHN CCN(Cc1ccccc1N)C1CC1 37079294 167194205 /nfs/dbraw/zinc/19/42/05/167194205.db2.gz RZLFTYKXOYZLAJ-UHFFFAOYSA-N 0 3 190.290 2.253 10 0 AEAEHN CCN(c1ccccc1CN)C1CC1 37079252 167195857 /nfs/dbraw/zinc/19/58/57/167195857.db2.gz LPDZPXVQTFDVNN-UHFFFAOYSA-N 0 3 190.290 2.134 10 0 AEAEHN CCN(c1ccccc1CN)C(C)C 37081504 167196748 /nfs/dbraw/zinc/19/67/48/167196748.db2.gz GNKQBNKLBDEVLS-UHFFFAOYSA-N 0 3 192.306 2.380 10 0 AEAEHN CCN1CC12CCCCC2 95931083 167199359 /nfs/dbraw/zinc/19/93/59/167199359.db2.gz WTJURVWMMBJHPT-UHFFFAOYSA-N 0 3 139.242 2.025 10 0 AEAEHN CCN1CCC=C2C=CC=C21 39079745 167201493 /nfs/dbraw/zinc/20/14/93/167201493.db2.gz PWGKESJYAYWFDX-UHFFFAOYSA-N 0 3 147.221 2.092 10 0 AEAEHN CCN1CCC(O)(C2CCCC2)CC1 37716971 167204969 /nfs/dbraw/zinc/20/49/69/167204969.db2.gz UMHOYOYEVWAREQ-UHFFFAOYSA-N 0 3 197.322 2.023 10 0 AEAEHN CCN1CC[C@@H](CC(F)(F)F)C1 306710437 167220604 /nfs/dbraw/zinc/22/06/04/167220604.db2.gz MRNYOJWQFCAOFY-ZETCQYMHSA-N 0 3 181.201 2.281 10 0 AEAEHN CCN1CCc2scc(C)c2C1 39123386 167221766 /nfs/dbraw/zinc/22/17/66/167221766.db2.gz JGURFVYVRHLZLS-UHFFFAOYSA-N 0 3 181.304 2.435 10 0 AEAEHN CCN1CCc2cc(C)sc2C1 39123413 167223580 /nfs/dbraw/zinc/22/35/80/167223580.db2.gz QRVNVRNCIIOQHQ-UHFFFAOYSA-N 0 3 181.304 2.435 10 0 AEAEHN CCN1CC[C@H](Oc2ccccc2)C1 335393901 167223601 /nfs/dbraw/zinc/22/36/01/167223601.db2.gz DQLIWUJCKDYRDT-LBPRGKRZSA-N 0 3 191.274 2.160 10 0 AEAEHN CCN1CC[C@H](CC(F)(F)F)C1 306710436 167225432 /nfs/dbraw/zinc/22/54/32/167225432.db2.gz MRNYOJWQFCAOFY-SSDOTTSWSA-N 0 3 181.201 2.281 10 0 AEAEHN CCN1C[C@H](C)NCc2ccccc21 62567536 167227370 /nfs/dbraw/zinc/22/73/70/167227370.db2.gz PEJREVCQKGHDGG-JTQLQIEISA-N 0 3 190.290 2.005 10 0 AEAEHN CCN1C[C@@H](C)NCc2ccccc21 62567537 167227656 /nfs/dbraw/zinc/22/76/56/167227656.db2.gz PEJREVCQKGHDGG-SNVBAGLBSA-N 0 3 190.290 2.005 10 0 AEAEHN CCNC1=NC2(CCCC2)CS1 53044978 167257405 /nfs/dbraw/zinc/25/74/05/167257405.db2.gz LVINLEBTEQABPP-UHFFFAOYSA-N 0 3 184.308 2.012 10 0 AEAEHN CCNC1(c2nccs2)CCC1 41060971 167257698 /nfs/dbraw/zinc/25/76/98/167257698.db2.gz IQSQQJPZYQIXGL-UHFFFAOYSA-N 0 3 182.292 2.132 10 0 AEAEHN CCNC1(c2nc(C)cs2)CCC1 41061061 167257763 /nfs/dbraw/zinc/25/77/63/167257763.db2.gz IKWVMYQRWCUVKY-UHFFFAOYSA-N 0 3 196.319 2.440 10 0 AEAEHN CCNC1=N[C@@H](CC(C)C)CS1 40795266 167257880 /nfs/dbraw/zinc/25/78/80/167257880.db2.gz PEESDAGUBAYPHM-QMMMGPOBSA-N 0 3 186.324 2.113 10 0 AEAEHN CCNCC(=O)c1cc(C)ccc1C 49806711 167258176 /nfs/dbraw/zinc/25/81/76/167258176.db2.gz WQHZOYMOSXMPHM-UHFFFAOYSA-N 0 3 191.274 2.096 10 0 AEAEHN CCNC1=N[C@H](CC(C)C)CS1 40795264 167258307 /nfs/dbraw/zinc/25/83/07/167258307.db2.gz PEESDAGUBAYPHM-MRVPVSSYSA-N 0 3 186.324 2.113 10 0 AEAEHN CCNC1=NC2(CCCCC2)CS1 53097523 167258335 /nfs/dbraw/zinc/25/83/35/167258335.db2.gz DUENCQFWGCIROC-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN CCNC1=NC(CC)(CC)CS1 53044976 167259125 /nfs/dbraw/zinc/25/91/25/167259125.db2.gz ZSARVOFJEOPNRH-UHFFFAOYSA-N 0 3 186.324 2.258 10 0 AEAEHN CCNCC(=O)c1ccc(C)c(C)c1 41611722 167259636 /nfs/dbraw/zinc/25/96/36/167259636.db2.gz LNDCVGBEEZHFBX-UHFFFAOYSA-N 0 3 191.274 2.096 10 0 AEAEHN CCNCC(=O)c1ccc(CC)cc1 41611811 167260193 /nfs/dbraw/zinc/26/01/93/167260193.db2.gz AWWZUKSBIWFJJT-UHFFFAOYSA-N 0 3 191.274 2.041 10 0 AEAEHN CCNCC(=O)c1ccc(C)cc1C 41612573 167260576 /nfs/dbraw/zinc/26/05/76/167260576.db2.gz OUGBMGRPENOESZ-UHFFFAOYSA-N 0 3 191.274 2.096 10 0 AEAEHN CCNCc1cc(F)c(F)cc1F 83341426 167273320 /nfs/dbraw/zinc/27/33/20/167273320.db2.gz ANHUUQMGHUHPHO-UHFFFAOYSA-N 0 3 189.180 2.213 10 0 AEAEHN CCNCc1c(C)oc(C)c1C 77088620 167273487 /nfs/dbraw/zinc/27/34/87/167273487.db2.gz KNLQXNJNXLSBKW-UHFFFAOYSA-N 0 3 167.252 2.314 10 0 AEAEHN CCNCc1c(C)nn(C(C)C)c1C 26545835 167273551 /nfs/dbraw/zinc/27/35/51/167273551.db2.gz LHBSPYOWDXUENP-UHFFFAOYSA-N 0 3 195.310 2.190 10 0 AEAEHN CCNCc1ccc(C)cc1F 38071656 167273580 /nfs/dbraw/zinc/27/35/80/167273580.db2.gz CETQIJPTBFZONZ-UHFFFAOYSA-N 0 3 167.227 2.244 10 0 AEAEHN CCNCc1ccc(OC)cc1Cl 70187081 167273604 /nfs/dbraw/zinc/27/36/04/167273604.db2.gz CYWBRUDNVMDKHT-UHFFFAOYSA-N 0 3 199.681 2.458 10 0 AEAEHN CCNCc1ccc(Cl)o1 37486983 167273655 /nfs/dbraw/zinc/27/36/55/167273655.db2.gz GOPTYKDSEOZFQS-UHFFFAOYSA-N 0 3 159.616 2.043 10 0 AEAEHN CCNCc1c(F)cc(C)cc1F 307160045 167274422 /nfs/dbraw/zinc/27/44/22/167274422.db2.gz DGLKXTWUHMIYJG-UHFFFAOYSA-N 0 3 185.217 2.383 10 0 AEAEHN CCNCc1cc(F)cc(F)c1 6385335 167274531 /nfs/dbraw/zinc/27/45/31/167274531.db2.gz IDDLDNCSEZNREC-UHFFFAOYSA-N 0 3 171.190 2.074 10 0 AEAEHN CCNCc1ccc(O)cc1Cl 83341114 167275116 /nfs/dbraw/zinc/27/51/16/167275116.db2.gz SRFJDDMWQPVUAM-UHFFFAOYSA-N 0 3 185.654 2.155 10 0 AEAEHN CCNCc1ccc(Cl)cc1OC 43565304 167275304 /nfs/dbraw/zinc/27/53/04/167275304.db2.gz WMWCGBLPDCKSGV-UHFFFAOYSA-N 0 3 199.681 2.458 10 0 AEAEHN CCNCc1cc(C)nc(C(C)C)n1 54831163 167275469 /nfs/dbraw/zinc/27/54/69/167275469.db2.gz HNAHKBLRFRBYTQ-UHFFFAOYSA-N 0 3 193.294 2.018 10 0 AEAEHN CCNCc1cc(C2CCCC2)n[nH]1 54079805 167275655 /nfs/dbraw/zinc/27/56/55/167275655.db2.gz RNPAGFSSKMESHD-UHFFFAOYSA-N 0 3 193.294 2.177 10 0 AEAEHN CCNCc1cc2ccccc2cn1 57354371 167275823 /nfs/dbraw/zinc/27/58/23/167275823.db2.gz OXLJISPATAUQAF-UHFFFAOYSA-N 0 3 186.258 2.344 10 0 AEAEHN CCNCc1cnn(C(CC)CC)c1 40932679 167276577 /nfs/dbraw/zinc/27/65/77/167276577.db2.gz DHYXIWCPEZLSIH-UHFFFAOYSA-N 0 3 195.310 2.354 10 0 AEAEHN CCNCc1cnn(C(C)(C)C)c1C 42355655 167276823 /nfs/dbraw/zinc/27/68/23/167276823.db2.gz RUPJHOSMEMYZGG-UHFFFAOYSA-N 0 3 195.310 2.056 10 0 AEAEHN CCNCc1cnn([C@H](C)CC)c1C 42356046 167277529 /nfs/dbraw/zinc/27/75/29/167277529.db2.gz JNGGWFVSBSGICC-SECBINFHSA-N 0 3 195.310 2.272 10 0 AEAEHN CCNCc1cn(C(C)(C)C)nc1C 57354257 167277566 /nfs/dbraw/zinc/27/75/66/167277566.db2.gz VJPOHYOYKIITLK-UHFFFAOYSA-N 0 3 195.310 2.056 10 0 AEAEHN CCNCc1cnn([C@@H](C)CC)c1C 42356049 167277692 /nfs/dbraw/zinc/27/76/92/167277692.db2.gz JNGGWFVSBSGICC-VIFPVBQESA-N 0 3 195.310 2.272 10 0 AEAEHN CCNCc1cnc(CC(C)C)s1 40996614 167278867 /nfs/dbraw/zinc/27/88/67/167278867.db2.gz NJILERPYRQSQRO-UHFFFAOYSA-N 0 3 198.335 2.451 10 0 AEAEHN CCNCc1scnc1C(C)C 82429255 167280328 /nfs/dbraw/zinc/28/03/28/167280328.db2.gz GMWULAVXBLJQFS-UHFFFAOYSA-N 0 3 184.308 2.376 10 0 AEAEHN CCN[C@@H](C)c1scnc1C 37184627 167282990 /nfs/dbraw/zinc/28/29/90/167282990.db2.gz UCHIPDTXKBVNLU-LURJTMIESA-N 0 3 170.281 2.122 10 0 AEAEHN CCN[C@@H](C)c1ccc(C)o1 19517445 167283593 /nfs/dbraw/zinc/28/35/93/167283593.db2.gz GYYSLTAKSSSWED-QMMMGPOBSA-N 0 3 153.225 2.259 10 0 AEAEHN CCN[C@@H](C)c1ncccc1C 43616826 167283819 /nfs/dbraw/zinc/28/38/19/167283819.db2.gz WTUWXVUIYMATEJ-VIFPVBQESA-N 0 3 164.252 2.061 10 0 AEAEHN CCN[C@@H](C)c1cn2ccccc2n1 76790053 167284008 /nfs/dbraw/zinc/28/40/08/167284008.db2.gz YZYMKRZYDUJAOP-VIFPVBQESA-N 0 3 189.262 2.005 10 0 AEAEHN CCN[C@@H](C)c1nc(C)c(C)s1 41061122 167284538 /nfs/dbraw/zinc/28/45/38/167284538.db2.gz USOHDLHJRUHIAF-ZETCQYMHSA-N 0 3 184.308 2.430 10 0 AEAEHN CCN[C@@H](C)c1cnc(CC)nc1C 54962951 167284632 /nfs/dbraw/zinc/28/46/32/167284632.db2.gz UWRVDWDGMUCWSR-QMMMGPOBSA-N 0 3 193.294 2.018 10 0 AEAEHN CCN[C@@H](C)c1cnc(CC)s1 54159633 167284695 /nfs/dbraw/zinc/28/46/95/167284695.db2.gz CLKXQNYPOSFNKM-ZETCQYMHSA-N 0 3 184.308 2.376 10 0 AEAEHN CCN[C@@H](C)c1cn2ccsc2n1 76788202 167284700 /nfs/dbraw/zinc/28/47/00/167284700.db2.gz FLSRPOXRPFGHNF-ZETCQYMHSA-N 0 3 195.291 2.066 10 0 AEAEHN CCN[C@@H](C)c1nccn1C(C)C 95091344 167285047 /nfs/dbraw/zinc/28/50/47/167285047.db2.gz XQVSUNIJVBPZTQ-VIFPVBQESA-N 0 3 181.283 2.135 10 0 AEAEHN CCN[C@@H](C)c1cnn(C(C)C)c1C 40932953 167285480 /nfs/dbraw/zinc/28/54/80/167285480.db2.gz FOFCRHIMMCYQLL-VIFPVBQESA-N 0 3 195.310 2.443 10 0 AEAEHN CC[NH2+][C@@H](C)c1ccc([O-])c(F)c1 34663972 167285682 /nfs/dbraw/zinc/28/56/82/167285682.db2.gz BJTAQUVCHYIXBR-ZETCQYMHSA-N 0 3 183.226 2.202 10 0 AEAEHN CCN[C@@H](c1nccs1)C1CC1 41060998 167285978 /nfs/dbraw/zinc/28/59/78/167285978.db2.gz SGFIILHGWBHCNA-MRVPVSSYSA-N 0 3 182.292 2.204 10 0 AEAEHN CCN[C@@H](COC)c1cccc(C)c1 42325822 167286014 /nfs/dbraw/zinc/28/60/14/167286014.db2.gz XLJJTSHQHXNFHW-LBPRGKRZSA-N 0 3 193.290 2.292 10 0 AEAEHN CCN[C@@H](c1ccco1)[C@@H]1CCCO1 43608296 167286216 /nfs/dbraw/zinc/28/62/16/167286216.db2.gz RUIKSROSFPOFPT-QWRGUYRKSA-N 0 3 195.262 2.109 10 0 AEAEHN CCN[C@@H](COC)c1ccc(C)cc1 42325787 167286418 /nfs/dbraw/zinc/28/64/18/167286418.db2.gz LRULDTJKBQCFOU-LBPRGKRZSA-N 0 3 193.290 2.292 10 0 AEAEHN CCN[C@@H](CC)c1ccccn1 37467479 167286518 /nfs/dbraw/zinc/28/65/18/167286518.db2.gz FPBLFIXVWWKNIZ-VIFPVBQESA-N 0 3 164.252 2.142 10 0 AEAEHN CCN[C@@H](c1cncnc1)C(C)(C)C 52887233 167287178 /nfs/dbraw/zinc/28/71/78/167287178.db2.gz ZCGCJHFEJCSHAC-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@@H](COC)c1ccccc1C 42325799 167287411 /nfs/dbraw/zinc/28/74/11/167287411.db2.gz ZMHIKWBSIDKOKU-LBPRGKRZSA-N 0 3 193.290 2.292 10 0 AEAEHN CCN[C@@H](CC)c1ncccc1C 43616813 167287608 /nfs/dbraw/zinc/28/76/08/167287608.db2.gz JUHADHCWDMVZJO-JTQLQIEISA-N 0 3 178.279 2.451 10 0 AEAEHN CCN[C@@H](c1nccs1)C(C)C 41061000 167287790 /nfs/dbraw/zinc/28/77/90/167287790.db2.gz ACQLOAVBHJMLCF-MRVPVSSYSA-N 0 3 184.308 2.450 10 0 AEAEHN CCN[C@@H](CC)c1ccco1 49844570 167288294 /nfs/dbraw/zinc/28/82/94/167288294.db2.gz LBCWSHVZXQGMOL-QMMMGPOBSA-N 0 3 153.225 2.340 10 0 AEAEHN CCN[C@@H](CO)c1cc(C)sc1C 49688068 167288331 /nfs/dbraw/zinc/28/83/31/167288331.db2.gz QHRXXGNUCXJDLV-JTQLQIEISA-N 0 3 199.319 2.008 10 0 AEAEHN CCN[C@@H](c1ccco1)[C@H]1CCCO1 43608301 167288345 /nfs/dbraw/zinc/28/83/45/167288345.db2.gz RUIKSROSFPOFPT-MNOVXSKESA-N 0 3 195.262 2.109 10 0 AEAEHN CCN[C@@H](COC)c1ccc(F)cc1 49684535 167288392 /nfs/dbraw/zinc/28/83/92/167288392.db2.gz CXGLSBDGCDJORJ-NSHDSACASA-N 0 3 197.253 2.123 10 0 AEAEHN CCN[C@@H](c1ccco1)C1CC1 43608335 167288476 /nfs/dbraw/zinc/28/84/76/167288476.db2.gz XWILQFNFTYRYTG-SNVBAGLBSA-N 0 3 165.236 2.340 10 0 AEAEHN CCN[C@@H](COC)c1cccc(F)c1 49684413 167288542 /nfs/dbraw/zinc/28/85/42/167288542.db2.gz ZBMOKOARQJTFLA-NSHDSACASA-N 0 3 197.253 2.123 10 0 AEAEHN CCN[C@@H](COC)c1cccs1 49684449 167288878 /nfs/dbraw/zinc/28/88/78/167288878.db2.gz RTOFWFBKZPHCAH-QMMMGPOBSA-N 0 3 185.292 2.045 10 0 AEAEHN CCN[C@@H](c1cnccn1)C(C)(C)C 52232092 167288882 /nfs/dbraw/zinc/28/88/82/167288882.db2.gz BCVOOHSPHQGCNZ-JTQLQIEISA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@@H](COCC)c1ccccc1 44045491 167288912 /nfs/dbraw/zinc/28/89/12/167288912.db2.gz MVMKQXJTRLQQDK-LBPRGKRZSA-N 0 3 193.290 2.374 10 0 AEAEHN CCN[C@@H]1CCOc2ccc(C)cc21 35652654 167289271 /nfs/dbraw/zinc/28/92/71/167289271.db2.gz HITMHUXZXOIFHL-LLVKDONJSA-N 0 3 191.274 2.428 10 0 AEAEHN CCN[C@@H]1COc2cc(C)cc(C)c21 35652926 167289464 /nfs/dbraw/zinc/28/94/64/167289464.db2.gz JLTZEPDUAMMEGH-SNVBAGLBSA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@@H]1CCOc2c(F)cccc21 35652596 167289567 /nfs/dbraw/zinc/28/95/67/167289567.db2.gz ZIJJNDVIGCWSGW-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CCN[C@@H]1COc2ccc(Cl)cc21 35652636 167289606 /nfs/dbraw/zinc/28/96/06/167289606.db2.gz VZECTCXLCSBGBE-SECBINFHSA-N 0 3 197.665 2.383 10 0 AEAEHN CCN[C@@H]1COc2c(C)cccc21 35652694 167289778 /nfs/dbraw/zinc/28/97/78/167289778.db2.gz SYJMQQLOUZJXAJ-SNVBAGLBSA-N 0 3 177.247 2.038 10 0 AEAEHN CCN[C@@H]1COc2c(C)cc(C)cc21 35655028 167290381 /nfs/dbraw/zinc/29/03/81/167290381.db2.gz YOKNVQSYPUIJPX-LLVKDONJSA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@@H]1COc2c1ccc(C)c2C 35653703 167290464 /nfs/dbraw/zinc/29/04/64/167290464.db2.gz MCULDVDWXLNTLF-LLVKDONJSA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@@H]1CSc2ccccc21 35761833 167290601 /nfs/dbraw/zinc/29/06/01/167290601.db2.gz XITNRCVXKLYJKL-SECBINFHSA-N 0 3 179.288 2.443 10 0 AEAEHN CCN[C@@H]1CCOc2ccccc21 19430137 167290974 /nfs/dbraw/zinc/29/09/74/167290974.db2.gz LMVLWRVDFVXTKY-SNVBAGLBSA-N 0 3 177.247 2.120 10 0 AEAEHN CCN[C@@H]1CCOc2c(C)cccc21 35652684 167291354 /nfs/dbraw/zinc/29/13/54/167291354.db2.gz FCMFZSWUNQEOCI-LLVKDONJSA-N 0 3 191.274 2.428 10 0 AEAEHN CCN[C@@H]1COc2cc(C)c(C)cc21 35653529 167291523 /nfs/dbraw/zinc/29/15/23/167291523.db2.gz OSVVHEHXPJGJHC-LLVKDONJSA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@@H]1CCOc2ccc(F)cc21 35652886 167291668 /nfs/dbraw/zinc/29/16/68/167291668.db2.gz AWDNTXDMAJVKHJ-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CCN[C@@H]1COc2c(C)ccc(C)c21 35653465 167291752 /nfs/dbraw/zinc/29/17/52/167291752.db2.gz ORPWFMYNORMDLK-SNVBAGLBSA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@@H]1COc2ccc(C)cc21 35652664 167291770 /nfs/dbraw/zinc/29/17/70/167291770.db2.gz KUUNXDQHKMPQSU-SNVBAGLBSA-N 0 3 177.247 2.038 10 0 AEAEHN CCN[C@@H]1COc2c(Cl)cccc21 35652834 167291825 /nfs/dbraw/zinc/29/18/25/167291825.db2.gz UZTOHZBVRAZFPE-SECBINFHSA-N 0 3 197.665 2.383 10 0 AEAEHN CCN[C@@H]1COc2c(F)cc(F)cc21 35653405 167291875 /nfs/dbraw/zinc/29/18/75/167291875.db2.gz MRGPOIMPEPVFEK-SECBINFHSA-N 0 3 199.200 2.008 10 0 AEAEHN CCN[C@@H]1COc2ccc(CC)cc21 35654708 167291915 /nfs/dbraw/zinc/29/19/15/167291915.db2.gz CJEXZNMMSAACBM-LLVKDONJSA-N 0 3 191.274 2.292 10 0 AEAEHN CCN[C@@H]1COc2c(CC)cccc21 35657706 167291945 /nfs/dbraw/zinc/29/19/45/167291945.db2.gz CJOIPMSCWAUXPE-LLVKDONJSA-N 0 3 191.274 2.292 10 0 AEAEHN CCN[C@@H]1COc2c1ccc(F)c2F 62611327 167291984 /nfs/dbraw/zinc/29/19/84/167291984.db2.gz IKNNAVSTOLBGMX-MRVPVSSYSA-N 0 3 199.200 2.008 10 0 AEAEHN CCN[C@@H]1c2cc(C)ccc2O[C@@H]1C 49851028 167292794 /nfs/dbraw/zinc/29/27/94/167292794.db2.gz OJZKKSRLWADROQ-SKDRFNHKSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@@H]1c2cccc(F)c2O[C@H]1C 43633362 167292990 /nfs/dbraw/zinc/29/29/90/167292990.db2.gz ZYCZHRWGEIPMFW-XVKPBYJWSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@@H]1c2ccccc2O[C@H]1C 43633488 167293172 /nfs/dbraw/zinc/29/31/72/167293172.db2.gz UJGCRESIGYTQSF-KWQFWETISA-N 0 3 177.247 2.118 10 0 AEAEHN CCN[C@@H]1c2cccc(C)c2O[C@@H]1C 43633446 167293307 /nfs/dbraw/zinc/29/33/07/167293307.db2.gz PFEBQMQLSNNHDY-KOLCDFICSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@@H]1c2cc(F)ccc2O[C@@H]1C 43633670 167293365 /nfs/dbraw/zinc/29/33/65/167293365.db2.gz VFIIGGDIICLIMX-HQJQHLMTSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@@H]1c2ccccc2O[C@@H]1C 43633484 167293960 /nfs/dbraw/zinc/29/39/60/167293960.db2.gz UJGCRESIGYTQSF-KCJUWKMLSA-N 0 3 177.247 2.118 10 0 AEAEHN CCN[C@@H]1c2cccc(F)c2O[C@@H]1C 43633358 167294296 /nfs/dbraw/zinc/29/42/96/167294296.db2.gz ZYCZHRWGEIPMFW-XCBNKYQSSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@@H]1c2cc(F)ccc2O[C@H]1C 43633672 167294531 /nfs/dbraw/zinc/29/45/31/167294531.db2.gz VFIIGGDIICLIMX-CPCISQLKSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@@H]1c2cccc(C)c2O[C@H]1C 43633452 167294599 /nfs/dbraw/zinc/29/45/99/167294599.db2.gz PFEBQMQLSNNHDY-ONGXEEELSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@@](C)(c1nccs1)C1CC1 41060946 167294775 /nfs/dbraw/zinc/29/47/75/167294775.db2.gz QZGQCIBYIYPAHN-SNVBAGLBSA-N 0 3 196.319 2.378 10 0 AEAEHN CCN[C@@H]1c2cc(C)ccc2O[C@H]1C 43633424 167295177 /nfs/dbraw/zinc/29/51/77/167295177.db2.gz OJZKKSRLWADROQ-CABZTGNLSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@H](C)c1ccc(C)o1 19517447 167296077 /nfs/dbraw/zinc/29/60/77/167296077.db2.gz GYYSLTAKSSSWED-MRVPVSSYSA-N 0 3 153.225 2.259 10 0 AEAEHN CC[NH2+][C@H](C)c1ccc([O-])c(F)c1 34663973 167296212 /nfs/dbraw/zinc/29/62/12/167296212.db2.gz BJTAQUVCHYIXBR-SSDOTTSWSA-N 0 3 183.226 2.202 10 0 AEAEHN CCN[C@H](COC)c1ccccc1C 42325801 167297721 /nfs/dbraw/zinc/29/77/21/167297721.db2.gz ZMHIKWBSIDKOKU-GFCCVEGCSA-N 0 3 193.290 2.292 10 0 AEAEHN CCN[C@H](C)c1nc(C)c(C)s1 41061123 167297939 /nfs/dbraw/zinc/29/79/39/167297939.db2.gz USOHDLHJRUHIAF-SSDOTTSWSA-N 0 3 184.308 2.430 10 0 AEAEHN CCN[C@H](C)c1cn2ccccc2n1 76790055 167298136 /nfs/dbraw/zinc/29/81/36/167298136.db2.gz YZYMKRZYDUJAOP-SECBINFHSA-N 0 3 189.262 2.005 10 0 AEAEHN CCN[C@H](C)c1scnc1C 37184628 167298278 /nfs/dbraw/zinc/29/82/78/167298278.db2.gz UCHIPDTXKBVNLU-ZCFIWIBFSA-N 0 3 170.281 2.122 10 0 AEAEHN CCN[C@H](COC)c1ccc(F)cc1 49684537 167298436 /nfs/dbraw/zinc/29/84/36/167298436.db2.gz CXGLSBDGCDJORJ-LLVKDONJSA-N 0 3 197.253 2.123 10 0 AEAEHN CCN[C@H](C)c1ncccc1C 43616827 167298680 /nfs/dbraw/zinc/29/86/80/167298680.db2.gz WTUWXVUIYMATEJ-SECBINFHSA-N 0 3 164.252 2.061 10 0 AEAEHN CCN[C@H](C)c1cn2ccsc2n1 76788205 167298728 /nfs/dbraw/zinc/29/87/28/167298728.db2.gz FLSRPOXRPFGHNF-SSDOTTSWSA-N 0 3 195.291 2.066 10 0 AEAEHN CCN[C@H](C)c1cnn(C(C)C)c1C 40932954 167298947 /nfs/dbraw/zinc/29/89/47/167298947.db2.gz FOFCRHIMMCYQLL-SECBINFHSA-N 0 3 195.310 2.443 10 0 AEAEHN CCN[C@H](C)c1cnc(CC)s1 54159632 167299083 /nfs/dbraw/zinc/29/90/83/167299083.db2.gz CLKXQNYPOSFNKM-SSDOTTSWSA-N 0 3 184.308 2.376 10 0 AEAEHN CCN[C@H](CC)c1ncccc1C 43616814 167299145 /nfs/dbraw/zinc/29/91/45/167299145.db2.gz JUHADHCWDMVZJO-SNVBAGLBSA-N 0 3 178.279 2.451 10 0 AEAEHN CCN[C@H](CO)c1cc(C)sc1C 49688069 167299152 /nfs/dbraw/zinc/29/91/52/167299152.db2.gz QHRXXGNUCXJDLV-SNVBAGLBSA-N 0 3 199.319 2.008 10 0 AEAEHN CCN[C@H](CC)c1ccco1 49844571 167299416 /nfs/dbraw/zinc/29/94/16/167299416.db2.gz LBCWSHVZXQGMOL-MRVPVSSYSA-N 0 3 153.225 2.340 10 0 AEAEHN CCN[C@H](COC)c1cccc(C)c1 42325825 167299447 /nfs/dbraw/zinc/29/94/47/167299447.db2.gz XLJJTSHQHXNFHW-GFCCVEGCSA-N 0 3 193.290 2.292 10 0 AEAEHN CCN[C@H](COC)c1cccs1 49684451 167299519 /nfs/dbraw/zinc/29/95/19/167299519.db2.gz RTOFWFBKZPHCAH-MRVPVSSYSA-N 0 3 185.292 2.045 10 0 AEAEHN CCN[C@H](C)c1nccn1C(C)C 95091345 167299528 /nfs/dbraw/zinc/29/95/28/167299528.db2.gz XQVSUNIJVBPZTQ-SECBINFHSA-N 0 3 181.283 2.135 10 0 AEAEHN CCN[C@H](COC)c1cccc(F)c1 49684415 167299711 /nfs/dbraw/zinc/29/97/11/167299711.db2.gz ZBMOKOARQJTFLA-LLVKDONJSA-N 0 3 197.253 2.123 10 0 AEAEHN CCN[C@H](C)c1cnc(CC)nc1C 54962950 167299790 /nfs/dbraw/zinc/29/97/90/167299790.db2.gz UWRVDWDGMUCWSR-MRVPVSSYSA-N 0 3 193.294 2.018 10 0 AEAEHN CCN[C@H](CC)c1ccccn1 37467481 167299916 /nfs/dbraw/zinc/29/99/16/167299916.db2.gz FPBLFIXVWWKNIZ-SECBINFHSA-N 0 3 164.252 2.142 10 0 AEAEHN CCN[C@H](COCC)c1ccccc1 44045496 167299949 /nfs/dbraw/zinc/29/99/49/167299949.db2.gz MVMKQXJTRLQQDK-GFCCVEGCSA-N 0 3 193.290 2.374 10 0 AEAEHN CCN[C@H](COC)c1ccc(C)cc1 42325790 167300052 /nfs/dbraw/zinc/30/00/52/167300052.db2.gz LRULDTJKBQCFOU-GFCCVEGCSA-N 0 3 193.290 2.292 10 0 AEAEHN CCN[C@H](c1nccs1)C(C)C 41061001 167300211 /nfs/dbraw/zinc/30/02/11/167300211.db2.gz ACQLOAVBHJMLCF-QMMMGPOBSA-N 0 3 184.308 2.450 10 0 AEAEHN CCN[C@H](c1nccs1)C1CC1 41060999 167300527 /nfs/dbraw/zinc/30/05/27/167300527.db2.gz SGFIILHGWBHCNA-QMMMGPOBSA-N 0 3 182.292 2.204 10 0 AEAEHN CCN[C@H](c1ccco1)C1CC1 43608338 167300674 /nfs/dbraw/zinc/30/06/74/167300674.db2.gz XWILQFNFTYRYTG-JTQLQIEISA-N 0 3 165.236 2.340 10 0 AEAEHN CCN[C@H](c1cncnc1)C(C)(C)C 52887234 167301315 /nfs/dbraw/zinc/30/13/15/167301315.db2.gz ZCGCJHFEJCSHAC-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@H](c1ccco1)[C@H]1CCCO1 43608303 167302443 /nfs/dbraw/zinc/30/24/43/167302443.db2.gz RUIKSROSFPOFPT-GHMZBOCLSA-N 0 3 195.262 2.109 10 0 AEAEHN CCN[C@H](c1ccco1)[C@@H]1CCCO1 43608299 167302645 /nfs/dbraw/zinc/30/26/45/167302645.db2.gz RUIKSROSFPOFPT-WDEREUQCSA-N 0 3 195.262 2.109 10 0 AEAEHN CCN[C@H](c1cnccn1)C(C)(C)C 52232095 167302995 /nfs/dbraw/zinc/30/29/95/167302995.db2.gz BCVOOHSPHQGCNZ-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN CCN[C@H]1COc2cc(C)c(C)cc21 35653531 167303322 /nfs/dbraw/zinc/30/33/22/167303322.db2.gz OSVVHEHXPJGJHC-NSHDSACASA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@H]1CCOc2ccc(F)cc21 35652887 167303348 /nfs/dbraw/zinc/30/33/48/167303348.db2.gz AWDNTXDMAJVKHJ-JTQLQIEISA-N 0 3 195.237 2.259 10 0 AEAEHN CCN[C@H]1c2cccc(F)c2O[C@H]1C 43633365 167303539 /nfs/dbraw/zinc/30/35/39/167303539.db2.gz ZYCZHRWGEIPMFW-OIBJUYFYSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@H]1COc2ccc(Cl)cc21 35652637 167303548 /nfs/dbraw/zinc/30/35/48/167303548.db2.gz VZECTCXLCSBGBE-VIFPVBQESA-N 0 3 197.665 2.383 10 0 AEAEHN CCN[C@H]1c2cc(C)ccc2O[C@@H]1C 43633423 167303578 /nfs/dbraw/zinc/30/35/78/167303578.db2.gz OJZKKSRLWADROQ-BXKDBHETSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@H]1CCOc2c(F)cccc21 35652597 167303653 /nfs/dbraw/zinc/30/36/53/167303653.db2.gz ZIJJNDVIGCWSGW-JTQLQIEISA-N 0 3 195.237 2.259 10 0 AEAEHN CCN[C@H]1CCOc2ccc(C)cc21 35652655 167303814 /nfs/dbraw/zinc/30/38/14/167303814.db2.gz HITMHUXZXOIFHL-NSHDSACASA-N 0 3 191.274 2.428 10 0 AEAEHN CCN[C@H]1c2cc(F)ccc2O[C@H]1C 43633673 167303958 /nfs/dbraw/zinc/30/39/58/167303958.db2.gz VFIIGGDIICLIMX-WRWORJQWSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@H]1COc2c(Cl)cccc21 35652835 167304030 /nfs/dbraw/zinc/30/40/30/167304030.db2.gz UZTOHZBVRAZFPE-VIFPVBQESA-N 0 3 197.665 2.383 10 0 AEAEHN CCN[C@H]1c2cc(F)ccc2O[C@@H]1C 43633671 167304137 /nfs/dbraw/zinc/30/41/37/167304137.db2.gz VFIIGGDIICLIMX-RDDDGLTNSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@H]1COc2c1ccc(C)c2C 35653705 167304209 /nfs/dbraw/zinc/30/42/09/167304209.db2.gz MCULDVDWXLNTLF-NSHDSACASA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@H]1COc2cc(C)cc(C)c21 35652927 167304479 /nfs/dbraw/zinc/30/44/79/167304479.db2.gz JLTZEPDUAMMEGH-JTQLQIEISA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@H]1CSc2ccccc21 35761834 167304669 /nfs/dbraw/zinc/30/46/69/167304669.db2.gz XITNRCVXKLYJKL-VIFPVBQESA-N 0 3 179.288 2.443 10 0 AEAEHN CCN[C@H]1c2cccc(C)c2O[C@@H]1C 43633449 167304744 /nfs/dbraw/zinc/30/47/44/167304744.db2.gz PFEBQMQLSNNHDY-MWLCHTKSSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@H]1CCOc2c(C)cccc21 35652685 167304785 /nfs/dbraw/zinc/30/47/85/167304785.db2.gz FCMFZSWUNQEOCI-NSHDSACASA-N 0 3 191.274 2.428 10 0 AEAEHN CCN[C@H]1c2cccc(C)c2O[C@H]1C 43633454 167304952 /nfs/dbraw/zinc/30/49/52/167304952.db2.gz PFEBQMQLSNNHDY-GXSJLCMTSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@H]1COc2c(F)cc(F)cc21 35653407 167304999 /nfs/dbraw/zinc/30/49/99/167304999.db2.gz MRGPOIMPEPVFEK-VIFPVBQESA-N 0 3 199.200 2.008 10 0 AEAEHN CCN[C@H]1c2cccc(F)c2O[C@@H]1C 43633359 167305085 /nfs/dbraw/zinc/30/50/85/167305085.db2.gz ZYCZHRWGEIPMFW-GMSGAONNSA-N 0 3 195.237 2.257 10 0 AEAEHN CCN[C@H]1COc2c(C)cc(C)cc21 35655030 167305146 /nfs/dbraw/zinc/30/51/46/167305146.db2.gz YOKNVQSYPUIJPX-NSHDSACASA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@](C)(c1nccs1)C1CC1 41060947 167305318 /nfs/dbraw/zinc/30/53/18/167305318.db2.gz QZGQCIBYIYPAHN-JTQLQIEISA-N 0 3 196.319 2.378 10 0 AEAEHN CCN[C@H]1COc2c1ccc(F)c2F 62611329 167305326 /nfs/dbraw/zinc/30/53/26/167305326.db2.gz IKNNAVSTOLBGMX-QMMMGPOBSA-N 0 3 199.200 2.008 10 0 AEAEHN CCN[C@H]1c2ccccc2O[C@H]1C 43633489 167305375 /nfs/dbraw/zinc/30/53/75/167305375.db2.gz UJGCRESIGYTQSF-GZMMTYOYSA-N 0 3 177.247 2.118 10 0 AEAEHN CCN[C@H]1COc2c(C)ccc(C)c21 35653467 167305393 /nfs/dbraw/zinc/30/53/93/167305393.db2.gz ORPWFMYNORMDLK-JTQLQIEISA-N 0 3 191.274 2.346 10 0 AEAEHN CCN[C@H]1CCOc2ccccc21 19430139 167305496 /nfs/dbraw/zinc/30/54/96/167305496.db2.gz LMVLWRVDFVXTKY-JTQLQIEISA-N 0 3 177.247 2.120 10 0 AEAEHN CCN[C@H]1COc2c(C)cccc21 35652695 167305502 /nfs/dbraw/zinc/30/55/02/167305502.db2.gz SYJMQQLOUZJXAJ-JTQLQIEISA-N 0 3 177.247 2.038 10 0 AEAEHN CCN[C@H]1c2cc(C)ccc2O[C@H]1C 43633425 167305546 /nfs/dbraw/zinc/30/55/46/167305546.db2.gz OJZKKSRLWADROQ-JOYOIKCWSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@H]1c2ccccc2O[C@@H]1C 43633486 167305571 /nfs/dbraw/zinc/30/55/71/167305571.db2.gz UJGCRESIGYTQSF-LDYMZIIASA-N 0 3 177.247 2.118 10 0 AEAEHN CCN[C@H]1COc2c(CC)cccc21 35657705 167305621 /nfs/dbraw/zinc/30/56/21/167305621.db2.gz CJOIPMSCWAUXPE-NSHDSACASA-N 0 3 191.274 2.292 10 0 AEAEHN CCN[C@H]1COc2ccc(C)cc21 35652665 167305674 /nfs/dbraw/zinc/30/56/74/167305674.db2.gz KUUNXDQHKMPQSU-JTQLQIEISA-N 0 3 177.247 2.038 10 0 AEAEHN CCNc1cc(C)cc(C)n1 39647946 167306326 /nfs/dbraw/zinc/30/63/26/167306326.db2.gz WYVGQEXKZDIVRP-UHFFFAOYSA-N 0 3 150.225 2.130 10 0 AEAEHN CCNc1cc(Cl)ccc1CN 62787020 167307668 /nfs/dbraw/zinc/30/76/68/167307668.db2.gz HMLANFHCXJACAA-UHFFFAOYSA-N 0 3 184.670 2.231 10 0 AEAEHN CCNc1ccc2nc(C)[nH]c2c1 37139913 167308628 /nfs/dbraw/zinc/30/86/28/167308628.db2.gz WOECBVIBQKTQTO-UHFFFAOYSA-N 0 3 175.235 2.303 10 0 AEAEHN CCNc1ccc(Cl)cc1CN 52857785 167309316 /nfs/dbraw/zinc/30/93/16/167309316.db2.gz KQXAQTXNZHMEEK-UHFFFAOYSA-N 0 3 184.670 2.231 10 0 AEAEHN CCNc1ccccc1CN(C)C 35276713 167310559 /nfs/dbraw/zinc/31/05/59/167310559.db2.gz XKNDUMPOMHTMKV-UHFFFAOYSA-N 0 3 178.279 2.180 10 0 AEAEHN CCNc1cccc(Cl)c1CN 52904135 167310960 /nfs/dbraw/zinc/31/09/60/167310960.db2.gz DHWRRKNTFJUGHB-UHFFFAOYSA-N 0 3 184.670 2.231 10 0 AEAEHN CCNc1nc2ccc(OC)cc2[nH]1 82741412 167312140 /nfs/dbraw/zinc/31/21/40/167312140.db2.gz CLURTMOGYZZORO-UHFFFAOYSA-N 0 3 191.234 2.003 10 0 AEAEHN CCNc1nccc2cccc(N)c12 82753544 167313039 /nfs/dbraw/zinc/31/30/39/167313039.db2.gz IKHZPOFSDMPYLH-UHFFFAOYSA-N 0 3 187.246 2.249 10 0 AEAEHN CCc1cccnc1[C@@]1(N)C[C@H]1CC 134624942 343947355 /nfs/dbraw/zinc/94/73/55/343947355.db2.gz JFGZIDWZJIHHFR-ZYHUDNBSSA-N 0 3 190.290 2.228 10 0 AEAEHN CCOC[C@H](NC)c1ccc(C)cc1 44045983 167396105 /nfs/dbraw/zinc/39/61/05/167396105.db2.gz FXEPDZOVOPXVPT-LBPRGKRZSA-N 0 3 193.290 2.292 10 0 AEAEHN CCOC[C@@H](C)N[C@H](C)c1ccco1 44688812 167396316 /nfs/dbraw/zinc/39/63/16/167396316.db2.gz HCPJEWVHJOPBSO-NXEZZACHSA-N 0 3 197.278 2.355 10 0 AEAEHN CCOC[C@@H](N)c1ccc(C)cc1 22562806 167396353 /nfs/dbraw/zinc/39/63/53/167396353.db2.gz FVNJFRLDYJUFFK-LLVKDONJSA-N 0 3 179.263 2.031 10 0 AEAEHN CCOC[C@H](N)c1ccc(C)c(C)c1 19395393 167396477 /nfs/dbraw/zinc/39/64/77/167396477.db2.gz RCKSYVGHWUPPFR-LBPRGKRZSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@@H](C)N[C@@H](C)c1ccco1 44688808 167396514 /nfs/dbraw/zinc/39/65/14/167396514.db2.gz HCPJEWVHJOPBSO-ZJUUUORDSA-N 0 3 197.278 2.355 10 0 AEAEHN CCOC[C@H](C)N[C@@H](C)c1ccco1 44688809 167396693 /nfs/dbraw/zinc/39/66/93/167396693.db2.gz HCPJEWVHJOPBSO-UWVGGRQHSA-N 0 3 197.278 2.355 10 0 AEAEHN CCOC[C@H](NC)c1cccc(C)c1 44045467 167396697 /nfs/dbraw/zinc/39/66/97/167396697.db2.gz WIOVOOKATFAVCU-LBPRGKRZSA-N 0 3 193.290 2.292 10 0 AEAEHN CCOC[C@@H](N)c1ccc(C)cc1C 23068961 167396897 /nfs/dbraw/zinc/39/68/97/167396897.db2.gz DCDGJYXJGPCDPZ-GFCCVEGCSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@H](N)c1ccc(CC)cc1 19395296 167396951 /nfs/dbraw/zinc/39/69/51/167396951.db2.gz ZPFSMHPSAFFXJK-LBPRGKRZSA-N 0 3 193.290 2.285 10 0 AEAEHN CCOC[C@@H](NC)c1cccc(C)c1 44045471 167396968 /nfs/dbraw/zinc/39/69/68/167396968.db2.gz WIOVOOKATFAVCU-GFCCVEGCSA-N 0 3 193.290 2.292 10 0 AEAEHN CCOC[C@@H](NC)c1ccccc1C 44046313 167396988 /nfs/dbraw/zinc/39/69/88/167396988.db2.gz MIWOTCGKTANTCM-GFCCVEGCSA-N 0 3 193.290 2.292 10 0 AEAEHN CCOC[C@H](N)c1ccccc1C 23069281 167397007 /nfs/dbraw/zinc/39/70/07/167397007.db2.gz GCUFWRHJLAPXTF-NSHDSACASA-N 0 3 179.263 2.031 10 0 AEAEHN CCOC[C@H](NC)c1ccccc1C 44046309 167397033 /nfs/dbraw/zinc/39/70/33/167397033.db2.gz MIWOTCGKTANTCM-LBPRGKRZSA-N 0 3 193.290 2.292 10 0 AEAEHN CCOC[C@@H](N)c1cc(C)ccc1C 23067772 167397151 /nfs/dbraw/zinc/39/71/51/167397151.db2.gz IURAYKMDVLWSFF-GFCCVEGCSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@@H](N)c1ccccc1C 23069280 167397158 /nfs/dbraw/zinc/39/71/58/167397158.db2.gz GCUFWRHJLAPXTF-LLVKDONJSA-N 0 3 179.263 2.031 10 0 AEAEHN CCOC[C@@H](N)c1cccc(C)c1 41046929 167397353 /nfs/dbraw/zinc/39/73/53/167397353.db2.gz FEENKAYGTCMXHU-LLVKDONJSA-N 0 3 179.263 2.031 10 0 AEAEHN CCOC[C@H](N)c1cc(C)ccc1C 23067774 167397367 /nfs/dbraw/zinc/39/73/67/167397367.db2.gz IURAYKMDVLWSFF-LBPRGKRZSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@H](C)N[C@H](C)c1ccco1 44688814 167397418 /nfs/dbraw/zinc/39/74/18/167397418.db2.gz HCPJEWVHJOPBSO-VHSXEESVSA-N 0 3 197.278 2.355 10 0 AEAEHN CCOC[C@H](N)c1ccc(C)cc1 22562811 167397566 /nfs/dbraw/zinc/39/75/66/167397566.db2.gz FVNJFRLDYJUFFK-NSHDSACASA-N 0 3 179.263 2.031 10 0 AEAEHN CCOC[C@@H](N)c1ccc(C)c(C)c1 19395390 167397597 /nfs/dbraw/zinc/39/75/97/167397597.db2.gz RCKSYVGHWUPPFR-GFCCVEGCSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@H](N)c1ccc(C)cc1C 23068962 167397778 /nfs/dbraw/zinc/39/77/78/167397778.db2.gz DCDGJYXJGPCDPZ-LBPRGKRZSA-N 0 3 193.290 2.340 10 0 AEAEHN CCOC[C@@H](NC)c1ccc(C)cc1 44045986 167398174 /nfs/dbraw/zinc/39/81/74/167398174.db2.gz FXEPDZOVOPXVPT-GFCCVEGCSA-N 0 3 193.290 2.292 10 0 AEAEHN CCOC[C@@H](N)c1ccc(CC)cc1 19395294 167398194 /nfs/dbraw/zinc/39/81/94/167398194.db2.gz ZPFSMHPSAFFXJK-GFCCVEGCSA-N 0 3 193.290 2.285 10 0 AEAEHN CCOC[C@H](N)c1cccc(C)c1 41046928 167398209 /nfs/dbraw/zinc/39/82/09/167398209.db2.gz FEENKAYGTCMXHU-NSHDSACASA-N 0 3 179.263 2.031 10 0 AEAEHN CCO[C@@H](C)[C@@H](NC)c1ccccc1 44046006 167402026 /nfs/dbraw/zinc/40/20/26/167402026.db2.gz SMAFBDBGCIAOBS-CMPLNLGQSA-N 0 3 193.290 2.372 10 0 AEAEHN CCO[C@@H](C)[C@@H](N)c1ccccc1 23071475 167402701 /nfs/dbraw/zinc/40/27/01/167402701.db2.gz SWRYQIJSVDYYGC-GXSJLCMTSA-N 0 3 179.263 2.111 10 0 AEAEHN CCOc1cc(CN)cc2occc12 73739773 167411853 /nfs/dbraw/zinc/41/18/53/167411853.db2.gz BEYYHEUOFKCQAZ-UHFFFAOYSA-N 0 3 191.230 2.290 10 0 AEAEHN CCOc1ccc2c(c1)[C@H](C)NCC2 52095365 167422194 /nfs/dbraw/zinc/42/21/94/167422194.db2.gz DVAYUEHDDFQUAD-VIFPVBQESA-N 0 3 191.274 2.292 10 0 AEAEHN CCOc1cccc(F)c1[C@H](C)N 19873126 167424068 /nfs/dbraw/zinc/42/40/68/167424068.db2.gz WSXUFDWFIFVRGN-ZETCQYMHSA-N 0 3 183.226 2.244 10 0 AEAEHN CCOc1cccc2c1[C@H](C)NCC2 82785364 167425558 /nfs/dbraw/zinc/42/55/58/167425558.db2.gz YBQONTMQFXTQLT-VIFPVBQESA-N 0 3 191.274 2.292 10 0 AEAEHN CC[C@@H](C)Oc1cccc(F)c1CN 36307041 167483205 /nfs/dbraw/zinc/48/32/05/167483205.db2.gz LVNQNXBQFCOQTL-MRVPVSSYSA-N 0 3 197.253 2.462 10 0 AEAEHN CC[C@@H](C)n1cc(CNC2CC2)cn1 40932671 167500658 /nfs/dbraw/zinc/50/06/58/167500658.db2.gz SLIUERXBAJXRBU-SECBINFHSA-N 0 3 193.294 2.106 10 0 AEAEHN CC[C@@H](C)n1ncc([C@@H](C)NC)c1C 40932985 167500687 /nfs/dbraw/zinc/50/06/87/167500687.db2.gz JVAZMZKYRUZPCC-RKDXNWHRSA-N 0 3 195.310 2.443 10 0 AEAEHN CC[C@@H]1NCCOc2ccccc21 11802717 167571072 /nfs/dbraw/zinc/57/10/72/167571072.db2.gz UHQSLLVFMRQOHP-JTQLQIEISA-N 0 3 177.247 2.120 10 0 AEAEHN CC[C@H](C)NC1=NC(C)(C)CS1 35287135 167612584 /nfs/dbraw/zinc/61/25/84/167612584.db2.gz XCIGXUKDLIRCRG-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@H](C)Nc1ccc(F)cc1CN 71507384 167621079 /nfs/dbraw/zinc/62/10/79/167621079.db2.gz WVUBBSLCMYSNMB-QMMMGPOBSA-N 0 3 196.269 2.495 10 0 AEAEHN CC[C@H](C)Sc1ncccc1CN 35719947 167623217 /nfs/dbraw/zinc/62/32/17/167623217.db2.gz WQELMANBEGIGRH-QMMMGPOBSA-N 0 3 196.319 2.431 10 0 AEAEHN CC[C@H](C)n1cc(CNC(C)C)cn1 40932670 167635924 /nfs/dbraw/zinc/63/59/24/167635924.db2.gz HZTAQMIOQDQZOX-JTQLQIEISA-N 0 3 195.310 2.352 10 0 AEAEHN CC[C@H]1NCCc2c(O)ccc(C)c21 83625402 167701298 /nfs/dbraw/zinc/70/12/98/167701298.db2.gz GPUVZOZBTHCEOI-SNVBAGLBSA-N 0 3 191.274 2.297 10 0 AEAEHN CCc1ccc([C@@H](COC)NC)cc1 44044280 167740169 /nfs/dbraw/zinc/74/01/69/167740169.db2.gz SVCVZRORRDVVER-GFCCVEGCSA-N 0 3 193.290 2.156 10 0 AEAEHN CCc1ccc([C@H](N)[C@H]2C[C@@H]2C)o1 51726643 167742282 /nfs/dbraw/zinc/74/22/82/167742282.db2.gz YWSLLLWNQJPBCV-OVYXKVPISA-N 0 3 179.263 2.498 10 0 AEAEHN CCc1ccc2c(c1)C=C[C@H]2N 57935349 167744201 /nfs/dbraw/zinc/74/42/01/167744201.db2.gz ZWFPAUPGGWNACW-LLVKDONJSA-N 0 3 159.232 2.276 10 0 AEAEHN CCc1ccc2c(c1)[C@@H](NC)[C@@H](C)O2 43634813 167747693 /nfs/dbraw/zinc/74/76/93/167747693.db2.gz QTDYOVJTIFQPMO-PELKAZGASA-N 0 3 191.274 2.290 10 0 AEAEHN CCc1cnc([C@@H]2CCCN2)s1 54159034 167756988 /nfs/dbraw/zinc/75/69/88/167756988.db2.gz NURXSIMMCUJFMP-QMMMGPOBSA-N 0 3 182.292 2.130 10 0 AEAEHN CCc1csc([C@H]2CCCN2)n1 11631962 167761570 /nfs/dbraw/zinc/76/15/70/167761570.db2.gz KQCVVAIJNFZZMV-MRVPVSSYSA-N 0 3 182.292 2.130 10 0 AEAEHN CCc1ncc(CNC2CCC2)s1 52208708 167776276 /nfs/dbraw/zinc/77/62/76/167776276.db2.gz OYUOYOZAQVXEQC-UHFFFAOYSA-N 0 3 196.319 2.348 10 0 AEAEHN CNC1=NC2(CCC(C)CC2)CS1 53098641 167983627 /nfs/dbraw/zinc/98/36/27/167983627.db2.gz IPKGYHJKWRZLKT-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN CN=C1Nc2ccccc2C1(C)C 2541117 167983964 /nfs/dbraw/zinc/98/39/64/167983964.db2.gz WBGRDAXQOIETPI-UHFFFAOYSA-N 0 3 174.247 2.227 10 0 AEAEHN CNCc1cc(C)sc1Cl 83272452 168015197 /nfs/dbraw/zinc/01/51/97/168015197.db2.gz SSFJXSRXEQONFA-UHFFFAOYSA-N 0 3 175.684 2.429 10 0 AEAEHN CNCc1cc2cccc(C)c2o1 82868559 168015207 /nfs/dbraw/zinc/01/52/07/168015207.db2.gz CRGYALDKZXQZBT-UHFFFAOYSA-N 0 3 175.231 2.461 10 0 AEAEHN CNCc1cc(F)ccc1Cl 38534320 168015303 /nfs/dbraw/zinc/01/53/03/168015303.db2.gz WRMLEOZJEYSEGC-UHFFFAOYSA-N 0 3 173.618 2.199 10 0 AEAEHN CNCc1cc(Cl)c(C)cc1OC 71507962 168015401 /nfs/dbraw/zinc/01/54/01/168015401.db2.gz WNVPNSIOTVIUEK-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN CNCc1cc(C)cc(Cl)c1OC 82912250 168015805 /nfs/dbraw/zinc/01/58/05/168015805.db2.gz YOYGEWLYQWKEOD-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN CNCc1cc(Cl)sc1C 83272453 168015921 /nfs/dbraw/zinc/01/59/21/168015921.db2.gz HMWUKXVRMPIKHR-UHFFFAOYSA-N 0 3 175.684 2.429 10 0 AEAEHN CNCc1cc2cc(C)ccc2o1 42893481 168016053 /nfs/dbraw/zinc/01/60/53/168016053.db2.gz YXXCXINGRRNYAP-UHFFFAOYSA-N 0 3 175.231 2.461 10 0 AEAEHN CNCc1c(Cl)cccc1OC 34825794 168016068 /nfs/dbraw/zinc/01/60/68/168016068.db2.gz PYERFWGKWUPLMA-UHFFFAOYSA-N 0 3 185.654 2.068 10 0 AEAEHN CNCc1cc(F)cc(Cl)c1 6481826 168016082 /nfs/dbraw/zinc/01/60/82/168016082.db2.gz UXCAGNGRRXUUOK-UHFFFAOYSA-N 0 3 173.618 2.199 10 0 AEAEHN CNCc1cc(C)c(C)cc1OC 58519396 168016210 /nfs/dbraw/zinc/01/62/10/168016210.db2.gz AGGWLODELYLITJ-UHFFFAOYSA-N 0 3 179.263 2.031 10 0 AEAEHN CNCc1c(Cl)cccc1N(C)C 34824269 168016327 /nfs/dbraw/zinc/01/63/27/168016327.db2.gz KFXFLRHPYOYXPI-UHFFFAOYSA-N 0 3 198.697 2.125 10 0 AEAEHN CNCc1cc(C2CC2)ccc1OC 52886491 168016624 /nfs/dbraw/zinc/01/66/24/168016624.db2.gz NVWCHBLPHFKROY-UHFFFAOYSA-N 0 3 191.274 2.292 10 0 AEAEHN CNCc1cc2ccc(OC)cc2o1 82889324 168016631 /nfs/dbraw/zinc/01/66/31/168016631.db2.gz LTHQZMUVPPTHHN-UHFFFAOYSA-N 0 3 191.230 2.161 10 0 AEAEHN CNCc1cc(C)cc(C)c1OC 71497959 168016693 /nfs/dbraw/zinc/01/66/93/168016693.db2.gz CGMDYUXTXMBTBZ-UHFFFAOYSA-N 0 3 179.263 2.031 10 0 AEAEHN CNCc1cc2cccc(OC)c2o1 35014566 168016709 /nfs/dbraw/zinc/01/67/09/168016709.db2.gz MLKXAXVWWMSKEJ-UHFFFAOYSA-N 0 3 191.230 2.161 10 0 AEAEHN CNCc1cc(Cl)cc(C)c1OC 71507966 168016762 /nfs/dbraw/zinc/01/67/62/168016762.db2.gz AAMUBZYKZMFIAI-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN CNCc1cc(C2CCCCC2)n[nH]1 50478995 168016879 /nfs/dbraw/zinc/01/68/79/168016879.db2.gz TXBJPIPQSMOWDE-UHFFFAOYSA-N 0 3 193.294 2.177 10 0 AEAEHN CNCc1c(C)ccc(C)c1OC 82871699 168016907 /nfs/dbraw/zinc/01/69/07/168016907.db2.gz FJBFDMBQFFPRJZ-UHFFFAOYSA-N 0 3 179.263 2.031 10 0 AEAEHN CNCc1cc2cccc(F)c2o1 82871069 168016914 /nfs/dbraw/zinc/01/69/14/168016914.db2.gz SQOHNYQKKORHHC-UHFFFAOYSA-N 0 3 179.194 2.291 10 0 AEAEHN CNCc1cc2cc(F)ccc2o1 20438992 168017039 /nfs/dbraw/zinc/01/70/39/168017039.db2.gz DMBHDLMJYJBSQW-UHFFFAOYSA-N 0 3 179.194 2.291 10 0 AEAEHN CNCc1cc2cc(OC)ccc2o1 73711127 168017048 /nfs/dbraw/zinc/01/70/48/168017048.db2.gz HLABXNRZGOIHGB-UHFFFAOYSA-N 0 3 191.230 2.161 10 0 AEAEHN CNCc1cc(C2CC2)ccc1F 52886523 168017145 /nfs/dbraw/zinc/01/71/45/168017145.db2.gz KPENEGRDIHLYEE-UHFFFAOYSA-N 0 3 179.238 2.423 10 0 AEAEHN C[NH2+]Cc1cc2cccc([O-])c2s1 82893072 168017256 /nfs/dbraw/zinc/01/72/56/168017256.db2.gz UHVRFJMXLXYBIP-UHFFFAOYSA-N 0 3 193.271 2.326 10 0 AEAEHN CNCc1ccc2cc(C)ccc2n1 83276692 168017599 /nfs/dbraw/zinc/01/75/99/168017599.db2.gz AAAWQXXUYZROSJ-UHFFFAOYSA-N 0 3 186.258 2.263 10 0 AEAEHN CNCc1cccc(F)c1Cl 83340179 168017753 /nfs/dbraw/zinc/01/77/53/168017753.db2.gz HEFKULKHVOMTET-UHFFFAOYSA-N 0 3 173.618 2.199 10 0 AEAEHN CNCc1ccc2cccc(F)c2n1 62567466 168017897 /nfs/dbraw/zinc/01/78/97/168017897.db2.gz XKZHVIBNZAXLND-UHFFFAOYSA-N 0 3 190.221 2.093 10 0 AEAEHN CNCc1ccc(C(C)C)o1 83268428 168017941 /nfs/dbraw/zinc/01/79/41/168017941.db2.gz PPQXDDKAMSUCNM-UHFFFAOYSA-N 0 3 153.225 2.122 10 0 AEAEHN CNCc1ccc(Cl)cc1OC 43565303 168017977 /nfs/dbraw/zinc/01/79/77/168017977.db2.gz NUPBHYUREDKFAB-UHFFFAOYSA-N 0 3 185.654 2.068 10 0 AEAEHN CNCc1ccc2cc(F)ccc2n1 20441348 168018017 /nfs/dbraw/zinc/01/80/17/168018017.db2.gz IUNPAXVAEZBPHM-UHFFFAOYSA-N 0 3 190.221 2.093 10 0 AEAEHN CNCc1ccc(OC)cc1Cl 70187082 168018068 /nfs/dbraw/zinc/01/80/68/168018068.db2.gz NSGYKJBARXAELZ-UHFFFAOYSA-N 0 3 185.654 2.068 10 0 AEAEHN CNCc1cccc(C)c1Cl 83339990 168018294 /nfs/dbraw/zinc/01/82/94/168018294.db2.gz VNWUKHVNQPFZNN-UHFFFAOYSA-N 0 3 169.655 2.368 10 0 AEAEHN CNCc1ccc(C)c(Cl)c1OC 82912246 168018361 /nfs/dbraw/zinc/01/83/61/168018361.db2.gz ZZEKISXLTWZRCQ-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN CNCc1ccc(-c2cccnc2)o1 13607144 168018507 /nfs/dbraw/zinc/01/85/07/168018507.db2.gz MDGMPFRIYUFRRX-UHFFFAOYSA-N 0 3 188.230 2.061 10 0 in-vivo AEAEHN CNCc1ccc(-c2ccco2)nc1 12370511 168018512 /nfs/dbraw/zinc/01/85/12/168018512.db2.gz UDZJNNURWGNFCN-UHFFFAOYSA-N 0 3 188.230 2.061 10 0 in-vitro AEAEHN CNCc1ccc2cccc(C)c2n1 62567311 168018558 /nfs/dbraw/zinc/01/85/58/168018558.db2.gz OEWORYSSMABQEG-UHFFFAOYSA-N 0 3 186.258 2.263 10 0 AEAEHN CNCc1ccc(COC(C)(C)C)o1 52629622 168018820 /nfs/dbraw/zinc/01/88/20/168018820.db2.gz HJDSOXWLMNHAGM-UHFFFAOYSA-N 0 3 197.278 2.314 10 0 AEAEHN CNCc1ccc(C2CC2)cc1F 52886534 168019101 /nfs/dbraw/zinc/01/91/01/168019101.db2.gz PTKLLXUBJKZUIV-UHFFFAOYSA-N 0 3 179.238 2.423 10 0 AEAEHN CNCc1ccc(F)c(Cl)c1F 83341710 168019201 /nfs/dbraw/zinc/01/92/01/168019201.db2.gz VVOCDLGQDVHBPP-UHFFFAOYSA-N 0 3 191.608 2.338 10 0 AEAEHN CNCc1cccc2c1O[C@H](C)CC2 82890050 168019479 /nfs/dbraw/zinc/01/94/79/168019479.db2.gz XKGBCLNXPPORFC-SECBINFHSA-N 0 3 191.274 2.120 10 0 AEAEHN CNCc1ccccc1OCC1CC1 34825619 168019497 /nfs/dbraw/zinc/01/94/97/168019497.db2.gz UAOKRQDXLFHQMH-UHFFFAOYSA-N 0 3 191.274 2.195 10 0 AEAEHN CNCc1ccsc1Cl 83269494 168019644 /nfs/dbraw/zinc/01/96/44/168019644.db2.gz FLIUZHAYRMONFI-UHFFFAOYSA-N 0 3 161.657 2.121 10 0 AEAEHN CNCc1ccoc1COC(C)(C)C 52629608 168019666 /nfs/dbraw/zinc/01/96/66/168019666.db2.gz IRCBYZMJMPDZCD-UHFFFAOYSA-N 0 3 197.278 2.314 10 0 AEAEHN CNCc1cnc(-c2ccco2)s1 40996946 168019861 /nfs/dbraw/zinc/01/98/61/168019861.db2.gz BXIJLEVJHDTVAW-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN CNCc1cn(C2CCCC2)nc1C 40538532 168020100 /nfs/dbraw/zinc/02/01/00/168020100.db2.gz DQZKHEUWTIUTGE-UHFFFAOYSA-N 0 3 193.294 2.026 10 0 AEAEHN CNCc1cnc(C2CCC2)s1 83123412 168020157 /nfs/dbraw/zinc/02/01/57/168020157.db2.gz UNYPPKJQLFVKME-UHFFFAOYSA-N 0 3 182.292 2.130 10 0 AEAEHN CNCc1cnc(CC(C)C)s1 40996559 168020177 /nfs/dbraw/zinc/02/01/77/168020177.db2.gz TZGHNPPJUMRIQP-UHFFFAOYSA-N 0 3 184.308 2.061 10 0 AEAEHN CNCc1cnc(CCC(C)C)s1 43374668 168020415 /nfs/dbraw/zinc/02/04/15/168020415.db2.gz YVXQBWSYVJRKFG-UHFFFAOYSA-N 0 3 198.335 2.451 10 0 AEAEHN CNCc1cccc2c1O[C@@H](C)CC2 82890051 168020705 /nfs/dbraw/zinc/02/07/05/168020705.db2.gz XKGBCLNXPPORFC-VIFPVBQESA-N 0 3 191.274 2.120 10 0 AEAEHN CNCc1coc(COC(C)(C)C)c1 52629702 168021713 /nfs/dbraw/zinc/02/17/13/168021713.db2.gz JYDXGGLKQHHVQU-UHFFFAOYSA-N 0 3 197.278 2.314 10 0 AEAEHN CNCc1nc2ccc(F)cc2s1 82320631 168021722 /nfs/dbraw/zinc/02/17/22/168021722.db2.gz WNDMFGCMJXZKEU-UHFFFAOYSA-N 0 3 196.250 2.155 10 0 AEAEHN CNCc1cnoc1-c1ccccc1 42188665 168021901 /nfs/dbraw/zinc/02/19/01/168021901.db2.gz GQWLFSJTKVMOFQ-UHFFFAOYSA-N 0 3 188.230 2.061 10 0 AEAEHN CNCc1nc2c(C)cccc2s1 82320614 168022257 /nfs/dbraw/zinc/02/22/57/168022257.db2.gz XHAUATQQUCZTGZ-UHFFFAOYSA-N 0 3 192.287 2.324 10 0 AEAEHN CNCc1nc2ccccc2cc1C 62567326 168022751 /nfs/dbraw/zinc/02/27/51/168022751.db2.gz HKFLBRFJVAYDCO-UHFFFAOYSA-N 0 3 186.258 2.263 10 0 AEAEHN CNCc1nc2ccc(C)cc2s1 82320572 168022960 /nfs/dbraw/zinc/02/29/60/168022960.db2.gz NUDGGDFEGRTNMB-UHFFFAOYSA-N 0 3 192.287 2.324 10 0 AEAEHN CNCc1nc(C(C)C)c(C)s1 53293936 168023242 /nfs/dbraw/zinc/02/32/42/168023242.db2.gz DHYBASMYNVXXSG-UHFFFAOYSA-N 0 3 184.308 2.294 10 0 AEAEHN CNCc1nc(C)c(C(C)(C)C)s1 45205541 168023536 /nfs/dbraw/zinc/02/35/36/168023536.db2.gz VJGGVFKEFNBZNB-UHFFFAOYSA-N 0 3 198.335 2.468 10 0 AEAEHN CNCc1nc2cc(F)ccc2s1 37205179 168023555 /nfs/dbraw/zinc/02/35/55/168023555.db2.gz LGVALCDCDBUQCQ-UHFFFAOYSA-N 0 3 196.250 2.155 10 0 AEAEHN CNCc1cnn(C2CCCC2)c1C 42355971 168023566 /nfs/dbraw/zinc/02/35/66/168023566.db2.gz AOCDPVYYEFXZPB-UHFFFAOYSA-N 0 3 193.294 2.026 10 0 AEAEHN CNCc1nc2cc(C)ccc2s1 37204465 168023839 /nfs/dbraw/zinc/02/38/39/168023839.db2.gz ITFZHVUPRFUFIT-UHFFFAOYSA-N 0 3 192.287 2.324 10 0 AEAEHN CNCc1nc2c(s1)CCCCC2 3710591 168024123 /nfs/dbraw/zinc/02/41/23/168024123.db2.gz VQPGEMOOEQUMTH-UHFFFAOYSA-N 0 3 196.319 2.131 10 0 AEAEHN CNCc1sc(C(C)C)nc1C 52330103 168024429 /nfs/dbraw/zinc/02/44/29/168024429.db2.gz REOWSZPXTWFPJW-UHFFFAOYSA-N 0 3 184.308 2.294 10 0 AEAEHN CNCc1sc(C)nc1C1CC1 82435082 168024465 /nfs/dbraw/zinc/02/44/65/168024465.db2.gz ACLRKTXCZDEHOQ-UHFFFAOYSA-N 0 3 182.292 2.048 10 0 AEAEHN CNCc1sc(C(C)(C)C)nc1C 52330119 168024624 /nfs/dbraw/zinc/02/46/24/168024624.db2.gz QIDNPHNZCOPQTP-UHFFFAOYSA-N 0 3 198.335 2.468 10 0 AEAEHN CNCc1sc(C2CC2)nc1C 52330090 168024643 /nfs/dbraw/zinc/02/46/43/168024643.db2.gz UTGPUBXWOREZNG-UHFFFAOYSA-N 0 3 182.292 2.048 10 0 AEAEHN CNCc1occc1C(C)C 83268426 168025190 /nfs/dbraw/zinc/02/51/90/168025190.db2.gz CLYUZRBDJQBSPW-UHFFFAOYSA-N 0 3 153.225 2.122 10 0 AEAEHN CNCc1occc1COC(C)(C)C 52629642 168025306 /nfs/dbraw/zinc/02/53/06/168025306.db2.gz DUYRIEXQTAJFKN-UHFFFAOYSA-N 0 3 197.278 2.314 10 0 AEAEHN CNCc1noc2ccc(Cl)cc12 82909737 168025471 /nfs/dbraw/zinc/02/54/71/168025471.db2.gz QEOHDOOVJDAMBW-UHFFFAOYSA-N 0 3 196.637 2.201 10 0 AEAEHN CNCc1sc(CC(C)C)nc1C 52330095 168026087 /nfs/dbraw/zinc/02/60/87/168026087.db2.gz XUPCYZHACDDGRP-UHFFFAOYSA-N 0 3 198.335 2.369 10 0 AEAEHN CNCc1scnc1C(C)(C)C 82438313 168026168 /nfs/dbraw/zinc/02/61/68/168026168.db2.gz ACGBIVMSFUKWEJ-UHFFFAOYSA-N 0 3 184.308 2.160 10 0 AEAEHN CNCc1sc(C)nc1C(C)C 82429313 168027008 /nfs/dbraw/zinc/02/70/08/168027008.db2.gz CNFQCWBDAZYMNR-UHFFFAOYSA-N 0 3 184.308 2.294 10 0 AEAEHN CNCc1sccc1Cl 83269495 168027266 /nfs/dbraw/zinc/02/72/66/168027266.db2.gz HLXGBNXJNOXLGH-UHFFFAOYSA-N 0 3 161.657 2.121 10 0 AEAEHN CNCc1sc(C)nc1C(C)(C)C 82438440 168027417 /nfs/dbraw/zinc/02/74/17/168027417.db2.gz KPVXDCCBKKYILW-UHFFFAOYSA-N 0 3 198.335 2.468 10 0 AEAEHN CN[C@@H](C)C(=O)c1cc(C)ccc1C 71505873 168029839 /nfs/dbraw/zinc/02/98/39/168029839.db2.gz DXMZEFZHFMLFKR-JTQLQIEISA-N 0 3 191.274 2.094 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1ccccc1 6487518 168031689 /nfs/dbraw/zinc/03/16/89/168031689.db2.gz QHGKNGIWQABHRY-WCBMZHEXSA-N 0 3 167.227 2.305 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1ccccc1 3652882 168034014 /nfs/dbraw/zinc/03/40/14/168034014.db2.gz QHGKNGIWQABHRY-WPRPVWTQSA-N 0 3 167.227 2.305 10 0 AEAEHN CN[C@@H](C)c1cnn(CC(C)C)c1C 40932862 168034100 /nfs/dbraw/zinc/03/41/00/168034100.db2.gz AFLSTADPXZCJGF-VIFPVBQESA-N 0 3 195.310 2.128 10 0 AEAEHN CN[C@@H](C)c1cnc(C2CC2)s1 54159464 168034131 /nfs/dbraw/zinc/03/41/31/168034131.db2.gz LYZZGESSSHSZHA-LURJTMIESA-N 0 3 182.292 2.301 10 0 AEAEHN CN[C@@H](C1=CCCCC1)c1cn[nH]c1 62777284 168034195 /nfs/dbraw/zinc/03/41/95/168034195.db2.gz CRRLUMVGOSIOFZ-NSHDSACASA-N 0 3 191.278 2.171 10 0 AEAEHN CN[C@@H](C)c1ccc(OC)cc1F 37118378 168034210 /nfs/dbraw/zinc/03/42/10/168034210.db2.gz AGJTVMLBACFZCH-ZETCQYMHSA-N 0 3 183.226 2.115 10 0 AEAEHN CN[C@@H](C)c1cc(C)ccc1F 55224140 168034333 /nfs/dbraw/zinc/03/43/33/168034333.db2.gz YORIUYOSVOACRU-QMMMGPOBSA-N 0 3 167.227 2.415 10 0 AEAEHN CN[C@@H](C)c1c(C)nn(C(C)C)c1C 26546097 168034370 /nfs/dbraw/zinc/03/43/70/168034370.db2.gz FQIOEJOPFRMJFE-QMMMGPOBSA-N 0 3 195.310 2.361 10 0 AEAEHN CN[C@@H](C)c1ccc(F)c(F)c1F 61838488 168034377 /nfs/dbraw/zinc/03/43/77/168034377.db2.gz BBBKTZUPAOYUEU-YFKPBYRVSA-N 0 3 189.180 2.384 10 0 AEAEHN CN[C@@H](C)c1ccc(C)cc1OC 37509579 168034441 /nfs/dbraw/zinc/03/44/41/168034441.db2.gz SQJXPZSUHZKWRZ-VIFPVBQESA-N 0 3 179.263 2.284 10 0 AEAEHN CN[C@@H](C)c1cc(C)ccc1OC 20264111 168034534 /nfs/dbraw/zinc/03/45/34/168034534.db2.gz NLFVWRGDESEAQZ-VIFPVBQESA-N 0 3 179.263 2.284 10 0 AEAEHN CN[C@@H](C)c1cc(F)ccc1N(C)C 34840535 168034578 /nfs/dbraw/zinc/03/45/78/168034578.db2.gz INBQXSZXNDAKSA-QMMMGPOBSA-N 0 3 196.269 2.172 10 0 AEAEHN CN[C@@H](C)c1ccc(F)cc1OC 62746588 168034654 /nfs/dbraw/zinc/03/46/54/168034654.db2.gz QSNXUXWQSMACSS-ZETCQYMHSA-N 0 3 183.226 2.115 10 0 AEAEHN CN[C@@H](C)c1nc(C)c(C)s1 41060620 168034675 /nfs/dbraw/zinc/03/46/75/168034675.db2.gz DXKFWLVXZOALMK-LURJTMIESA-N 0 3 170.281 2.040 10 0 AEAEHN CN[C@@H](C)c1cc(C)oc1C 34956865 168034712 /nfs/dbraw/zinc/03/47/12/168034712.db2.gz JIVQFUBCCDCFRB-ZETCQYMHSA-N 0 3 153.225 2.177 10 0 AEAEHN CN[C@@H](C)c1nc2cc(C)ccc2[nH]1 54052929 168034823 /nfs/dbraw/zinc/03/48/23/168034823.db2.gz XVKHUNBWLPFOCA-QMMMGPOBSA-N 0 3 189.262 2.152 10 0 AEAEHN CN[C@@H](C)c1nc2ccc(C)cc2[nH]1 54052929 168034824 /nfs/dbraw/zinc/03/48/24/168034824.db2.gz XVKHUNBWLPFOCA-QMMMGPOBSA-N 0 3 189.262 2.152 10 0 AEAEHN CN[C@@H](C)c1cnn(C2CCCC2)c1 54720704 168034909 /nfs/dbraw/zinc/03/49/09/168034909.db2.gz OTWFFYWSBUMHCL-VIFPVBQESA-N 0 3 193.294 2.279 10 0 AEAEHN CN[C@@H](C)c1nc2c(s1)CCCC2 3709202 168034971 /nfs/dbraw/zinc/03/49/71/168034971.db2.gz DTDJOCPQQDZEDD-ZETCQYMHSA-N 0 3 196.319 2.302 10 0 AEAEHN CN[C@@H](C)c1nc2c(C)cccc2[nH]1 54053068 168035025 /nfs/dbraw/zinc/03/50/25/168035025.db2.gz XWDRQWYTFBIHBM-QMMMGPOBSA-N 0 3 189.262 2.152 10 0 AEAEHN CN[C@@H](C)c1nc2cccc(C)c2[nH]1 54053068 168035027 /nfs/dbraw/zinc/03/50/27/168035027.db2.gz XWDRQWYTFBIHBM-QMMMGPOBSA-N 0 3 189.262 2.152 10 0 AEAEHN CN[C@@H](C)c1cc(F)c(F)c(F)c1 43392339 168035052 /nfs/dbraw/zinc/03/50/52/168035052.db2.gz UZFNKHYIHBUAMZ-YFKPBYRVSA-N 0 3 189.180 2.384 10 0 AEAEHN CN[C@@H](C)c1c(F)cccc1OC 34665425 168035160 /nfs/dbraw/zinc/03/51/60/168035160.db2.gz VNTBTLGCWYMPLA-ZETCQYMHSA-N 0 3 183.226 2.115 10 0 AEAEHN CN[C@@H](C)c1cc(F)cc(F)c1 43387935 168035336 /nfs/dbraw/zinc/03/53/36/168035336.db2.gz WODKUPYZRANPNH-LURJTMIESA-N 0 3 171.190 2.245 10 0 AEAEHN CN[C@@H](C)c1cnn(C(C)(C)C)c1C 40932780 168035352 /nfs/dbraw/zinc/03/53/52/168035352.db2.gz SXHJHGLGOKHYPF-QMMMGPOBSA-N 0 3 195.310 2.227 10 0 AEAEHN CN[C@@H](C)c1cc(F)ccc1OC 34665427 168035401 /nfs/dbraw/zinc/03/54/01/168035401.db2.gz YKFJPXOBSDFDQK-ZETCQYMHSA-N 0 3 183.226 2.115 10 0 AEAEHN CN[C@@H](C)c1cnn(C(C)C)c1C 26546090 168035449 /nfs/dbraw/zinc/03/54/49/168035449.db2.gz ZVGLYYCLBHEODN-QMMMGPOBSA-N 0 3 181.283 2.053 10 0 AEAEHN CN[C@@H](C)c1cnc(C(C)C)nc1C 54962761 168035759 /nfs/dbraw/zinc/03/57/59/168035759.db2.gz WFGCKFNIZDISQI-QMMMGPOBSA-N 0 3 193.294 2.189 10 0 AEAEHN CN[C@@H](C)c1c(F)cccc1N(C)C 34840506 168035785 /nfs/dbraw/zinc/03/57/85/168035785.db2.gz OJVLYNZIALEOFA-QMMMGPOBSA-N 0 3 196.269 2.172 10 0 AEAEHN CN[C@@H](CC(C)C)c1nccs1 41060371 168036083 /nfs/dbraw/zinc/03/60/83/168036083.db2.gz MUVFWJZLKHIMNP-QMMMGPOBSA-N 0 3 184.308 2.450 10 0 AEAEHN CN[C@@H](COC)c1ccc(F)cc1C 55226194 168036363 /nfs/dbraw/zinc/03/63/63/168036363.db2.gz ACVBEUFGAKIOBE-NSHDSACASA-N 0 3 197.253 2.041 10 0 AEAEHN CN[C@@H](CSC)c1ccc(F)cc1 54495524 168036805 /nfs/dbraw/zinc/03/68/05/168036805.db2.gz BSNFTLMOQMASPC-JTQLQIEISA-N 0 3 199.294 2.449 10 0 AEAEHN CN[C@@H](COC)c1ccccc1Cl 49672329 168036910 /nfs/dbraw/zinc/03/69/10/168036910.db2.gz KLLZTIIUMJBMGM-JTQLQIEISA-N 0 3 199.681 2.247 10 0 AEAEHN CN[C@@H](COC)c1cc(C)cc(C)c1 49672322 168037152 /nfs/dbraw/zinc/03/71/52/168037152.db2.gz OYCJJOPVLLIQEQ-LBPRGKRZSA-N 0 3 193.290 2.210 10 0 AEAEHN CN[C@@H](COC)c1ccc(C)c(C)c1 44044276 168037221 /nfs/dbraw/zinc/03/72/21/168037221.db2.gz ZYJDAGYOBZOVJC-LBPRGKRZSA-N 0 3 193.290 2.210 10 0 AEAEHN CN[C@@H](COC)c1ccc(F)c(C)c1 55226198 168037319 /nfs/dbraw/zinc/03/73/19/168037319.db2.gz YNNQFCLGJDOTLT-NSHDSACASA-N 0 3 197.253 2.041 10 0 AEAEHN CN[C@@H](COC)c1cc(F)ccc1C 55226185 168037371 /nfs/dbraw/zinc/03/73/71/168037371.db2.gz LMWQLFQLZGFQFL-NSHDSACASA-N 0 3 197.253 2.041 10 0 AEAEHN CN[C@@H](CC1CC1)c1ccco1 49844544 168037378 /nfs/dbraw/zinc/03/73/78/168037378.db2.gz FBCWAXVQNJUNTK-VIFPVBQESA-N 0 3 165.236 2.340 10 0 AEAEHN CN[C@@H](CSC)c1cccc(F)c1 54495559 168037432 /nfs/dbraw/zinc/03/74/32/168037432.db2.gz NDBJVHIKISLLRY-JTQLQIEISA-N 0 3 199.294 2.449 10 0 AEAEHN CN[C@@H](CSC)c1ccccc1F 54495609 168037471 /nfs/dbraw/zinc/03/74/71/168037471.db2.gz SKNXDXBICAORGB-JTQLQIEISA-N 0 3 199.294 2.449 10 0 AEAEHN CN[C@@H](COC)c1cc(C)ccc1F 55226204 168037532 /nfs/dbraw/zinc/03/75/32/168037532.db2.gz LJEBVSFQMVIRNF-NSHDSACASA-N 0 3 197.253 2.041 10 0 AEAEHN CN[C@@H](COC)c1ccc(C)cc1C 44044128 168037660 /nfs/dbraw/zinc/03/76/60/168037660.db2.gz WSYSNJJTMWSGTN-LBPRGKRZSA-N 0 3 193.290 2.210 10 0 AEAEHN CN[C@@H](COC)c1cc(C)ccc1C 44044144 168037749 /nfs/dbraw/zinc/03/77/49/168037749.db2.gz ISDCWGPFTNFTAU-LBPRGKRZSA-N 0 3 193.290 2.210 10 0 AEAEHN CN[C@@H](COC)c1cccc(C)c1C 53330103 168037890 /nfs/dbraw/zinc/03/78/90/168037890.db2.gz ATWIQOHOEUHZGA-LBPRGKRZSA-N 0 3 193.290 2.210 10 0 AEAEHN CN[C@@H](COC(C)C)c1ccccc1 44066573 168037981 /nfs/dbraw/zinc/03/79/81/168037981.db2.gz AAHTWRKBDAIHCN-LBPRGKRZSA-N 0 3 193.290 2.372 10 0 AEAEHN CN[C@@H](c1cccs1)[C@@H]1CCCO1 35488184 168038216 /nfs/dbraw/zinc/03/82/16/168038216.db2.gz VUIRJPXSJZSSRZ-WCBMZHEXSA-N 0 3 197.303 2.188 10 0 AEAEHN CN[C@@H](c1ccco1)[C@@H]1CCCCO1 50963070 168038382 /nfs/dbraw/zinc/03/83/82/168038382.db2.gz KOCWEYSBVWWZCN-GXSJLCMTSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@@H](c1nc(C)cs1)C(C)C 41060555 168038519 /nfs/dbraw/zinc/03/85/19/168038519.db2.gz BHAWSSMNZNOWMQ-MRVPVSSYSA-N 0 3 184.308 2.368 10 0 AEAEHN CN[C@@H](c1nccs1)C(C)(C)C 41060443 168038588 /nfs/dbraw/zinc/03/85/88/168038588.db2.gz WJOKOSALNJEKQW-ZETCQYMHSA-N 0 3 184.308 2.450 10 0 AEAEHN CN[C@@H](c1ccco1)C1CCC1 43607550 168038646 /nfs/dbraw/zinc/03/86/46/168038646.db2.gz HEYSWLXBOZKQSW-SNVBAGLBSA-N 0 3 165.236 2.340 10 0 AEAEHN CN[C@@H](c1ccco1)C(C)C 44467231 168038678 /nfs/dbraw/zinc/03/86/78/168038678.db2.gz NBHPZLIIMJZBFT-SECBINFHSA-N 0 3 153.225 2.196 10 0 AEAEHN CN[C@@H](c1ccc(C)o1)[C@H]1CCCO1 43610259 168038698 /nfs/dbraw/zinc/03/86/98/168038698.db2.gz NXSBEEYXOAXCIH-MWLCHTKSSA-N 0 3 195.262 2.028 10 0 AEAEHN CN[C@@H](c1nc(C)c(C)s1)C1CC1 41060635 168038787 /nfs/dbraw/zinc/03/87/87/168038787.db2.gz YWGMKJIWLXHFKS-SECBINFHSA-N 0 3 196.319 2.430 10 0 AEAEHN CN[C@@H](c1nccs1)C(C)C 41060435 168038989 /nfs/dbraw/zinc/03/89/89/168038989.db2.gz QJUXXJCZEBKXST-SSDOTTSWSA-N 0 3 170.281 2.060 10 0 AEAEHN CN[C@@H](c1cccs1)[C@H]1CCCO1 35488188 168039062 /nfs/dbraw/zinc/03/90/62/168039062.db2.gz VUIRJPXSJZSSRZ-PSASIEDQSA-N 0 3 197.303 2.188 10 0 AEAEHN CN[C@@H](c1ccccn1)C(C)(C)C 52231941 168039237 /nfs/dbraw/zinc/03/92/37/168039237.db2.gz TZLVVTIOXSFDKK-JTQLQIEISA-N 0 3 178.279 2.388 10 0 AEAEHN CN[C@@H](c1ccccc1)[C@H]1CCCO1 35465306 168039248 /nfs/dbraw/zinc/03/92/48/168039248.db2.gz KWGVCHRKXNAQSA-NEPJUHHUSA-N 0 3 191.274 2.126 10 0 AEAEHN CN[C@@H](c1nc(C)cs1)C1CC1 41060553 168039298 /nfs/dbraw/zinc/03/92/98/168039298.db2.gz CYBWNRLLVDABKO-MRVPVSSYSA-N 0 3 182.292 2.122 10 0 AEAEHN CN[C@@H](c1ncc(C)s1)C1CC1 45206201 168039411 /nfs/dbraw/zinc/03/94/11/168039411.db2.gz PUHUEKYHJOITFU-MRVPVSSYSA-N 0 3 182.292 2.122 10 0 AEAEHN CN[C@@H](c1ccccc1)c1ccncc1 35117413 168039611 /nfs/dbraw/zinc/03/96/11/168039611.db2.gz NDFFGAWONICWHJ-ZDUSSCGKSA-N 0 3 198.269 2.390 10 0 AEAEHN CN[C@@H](c1ccccc1)[C@@H]1CCCO1 35465300 168039640 /nfs/dbraw/zinc/03/96/40/168039640.db2.gz KWGVCHRKXNAQSA-RYUDHWBXSA-N 0 3 191.274 2.126 10 0 AEAEHN CN[C@@H](C[C@@H]1CCCO1)c1ccco1 54456064 168039698 /nfs/dbraw/zinc/03/96/98/168039698.db2.gz PHMSOFPEAHIOAA-UWVGGRQHSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@@H](C[C@H]1CCCO1)c1ccco1 54456068 168039761 /nfs/dbraw/zinc/03/97/61/168039761.db2.gz PHMSOFPEAHIOAA-ZJUUUORDSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@@H](c1ccc(C)o1)C1CC1 43610283 168039822 /nfs/dbraw/zinc/03/98/22/168039822.db2.gz BUHSIIPZZOMUDF-SNVBAGLBSA-N 0 3 165.236 2.259 10 0 AEAEHN CN[C@@H](c1ccccc1F)C1CC1 52898083 168039855 /nfs/dbraw/zinc/03/98/55/168039855.db2.gz VUGKWDHHTYDHEA-LLVKDONJSA-N 0 3 179.238 2.496 10 0 AEAEHN CN[C@@H](c1ccccc1)c1cccnc1 35465004 168039909 /nfs/dbraw/zinc/03/99/09/168039909.db2.gz SJGNDOMZTBEMFT-ZDUSSCGKSA-N 0 3 198.269 2.390 10 0 AEAEHN CN[C@@H](c1ccco1)[C@H]1CCCCO1 50963073 168040023 /nfs/dbraw/zinc/04/00/23/168040023.db2.gz KOCWEYSBVWWZCN-MWLCHTKSSA-N 0 3 195.262 2.109 10 0 AEAEHN CN[C@@H](c1ccc(C)o1)[C@@H]1CCCO1 43610256 168040073 /nfs/dbraw/zinc/04/00/73/168040073.db2.gz NXSBEEYXOAXCIH-GXSJLCMTSA-N 0 3 195.262 2.028 10 0 AEAEHN CN[C@@H]1CCCOc2ccc(F)cc21 35652878 168040649 /nfs/dbraw/zinc/04/06/49/168040649.db2.gz KEQISSKLWHUUMU-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CN[C@@H]1CCCOc2cc(F)ccc21 62567814 168041499 /nfs/dbraw/zinc/04/14/99/168041499.db2.gz CDYCTTDXPFHHHB-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CN[C@@H]1CCCOc2c(F)cccc21 35652588 168041956 /nfs/dbraw/zinc/04/19/56/168041956.db2.gz SKQXSPLFKOABIG-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CN[C@@H]1CCCc2sc(C)nc21 83117125 168042041 /nfs/dbraw/zinc/04/20/41/168042041.db2.gz SABAZSJEDVGVDP-SSDOTTSWSA-N 0 3 182.292 2.048 10 0 AEAEHN CN[C@@H]1COc2c(C)c(C)cc(C)c21 35653348 168042223 /nfs/dbraw/zinc/04/22/23/168042223.db2.gz QFBJNPRYJPERTH-SNVBAGLBSA-N 0 3 191.274 2.265 10 0 AEAEHN CN[C@@H]1CSCc2ccccc21 37509581 168042229 /nfs/dbraw/zinc/04/22/29/168042229.db2.gz CSROGEBPKFWQHE-SNVBAGLBSA-N 0 3 179.288 2.194 10 0 AEAEHN CN[C@@H]1C[C@H](C)Oc2ccccc21 35749223 168042296 /nfs/dbraw/zinc/04/22/96/168042296.db2.gz PSNVGZHHJCYZLR-WCBMZHEXSA-N 0 3 177.247 2.118 10 0 AEAEHN CN[C@@H]1CCOc2c(Cl)cccc21 35652826 168042382 /nfs/dbraw/zinc/04/23/82/168042382.db2.gz ZRARKXRAZLYWPV-SECBINFHSA-N 0 3 197.665 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LLSMWIKDESXSFW-HZGVNTEJSA-N 0 3 197.665 2.381 10 0 AEAEHN CN[C@H]1c2cc(C)cc(C)c2O[C@@H]1C 43634926 168061264 /nfs/dbraw/zinc/06/12/64/168061264.db2.gz JCGJVFLIESTGOZ-MWLCHTKSSA-N 0 3 191.274 2.345 10 0 AEAEHN CN[C@H]1c2ccccc2S[C@H]1C 43635885 168061271 /nfs/dbraw/zinc/06/12/71/168061271.db2.gz NCOCTDIXSRRUCO-OIBJUYFYSA-N 0 3 179.288 2.441 10 0 AEAEHN CN[C@H]1c2ccccc2-n2cccc21 75576622 168061279 /nfs/dbraw/zinc/06/12/79/168061279.db2.gz PAYYZGSOIGUSMD-LBPRGKRZSA-N 0 3 184.242 2.100 10 0 AEAEHN CN[C@H]1c2ccc(C)c(C)c2O[C@H]1C 43634176 168061304 /nfs/dbraw/zinc/06/13/04/168061304.db2.gz HUKCRNAJEQLNOG-GXSJLCMTSA-N 0 3 191.274 2.345 10 0 AEAEHN CN[C@H]1c2cc(Cl)ccc2O[C@H]1C 43633400 168061456 /nfs/dbraw/zinc/06/14/56/168061456.db2.gz KSFUVJWLCPJICI-QUBYGPBYSA-N 0 3 197.665 2.381 10 0 AEAEHN CN[C@H]1c2cccc(C)c2O[C@@H]1C 43633440 168061574 /nfs/dbraw/zinc/06/15/74/168061574.db2.gz YJIPPJARQRCOBG-PSASIEDQSA-N 0 3 177.247 2.036 10 0 AEAEHN CN[C@H]1c2cc(C)c(C)cc2O[C@H]1C 43634077 168061597 /nfs/dbraw/zinc/06/15/97/168061597.db2.gz PZWFZRMWRRYENR-JOYOIKCWSA-N 0 3 191.274 2.345 10 0 AEAEHN CN[C@H]1c2cc(F)cc(F)c2O[C@@H]1C 43633986 168061632 /nfs/dbraw/zinc/06/16/32/168061632.db2.gz SBKMAHXCHNYSPM-MLUIRONXSA-N 0 3 199.200 2.006 10 0 AEAEHN CN[C@H]1c2ccc(C)c(C)c2O[C@@H]1C 43634173 168061694 /nfs/dbraw/zinc/06/16/94/168061694.db2.gz HUKCRNAJEQLNOG-MWLCHTKSSA-N 0 3 191.274 2.345 10 0 AEAEHN CN[C@H]1c2cccc(Cl)c2O[C@H]1C 43633630 168061822 /nfs/dbraw/zinc/06/18/22/168061822.db2.gz LLSMWIKDESXSFW-IMTBSYHQSA-N 0 3 197.665 2.381 10 0 AEAEHN CN[C@](C)(c1nccs1)C(C)C 41060305 168061896 /nfs/dbraw/zinc/06/18/96/168061896.db2.gz YOGZSVSSJQRGQI-VIFPVBQESA-N 0 3 184.308 2.234 10 0 AEAEHN CNc1cc(C)nc2ccc(N)cc12 34449887 168064978 /nfs/dbraw/zinc/06/49/78/168064978.db2.gz ZPTFYJKAWRUABO-UHFFFAOYSA-N 0 3 187.246 2.167 10 0 AEAEHN CNc1ccc2nc(C3CC3)[nH]c2c1 77273762 168066992 /nfs/dbraw/zinc/06/69/92/168066992.db2.gz HKZLWDAUUALHFD-UHFFFAOYSA-N 0 3 187.246 2.482 10 0 AEAEHN CNc1ccnc2cc(OC)ccc12 96928491 168068209 /nfs/dbraw/zinc/06/82/09/168068209.db2.gz HOZPXSYOAQEHOW-UHFFFAOYSA-N 0 3 188.230 2.285 10 0 AEAEHN CNc1ccnc2ccc(OC)cc12 50843490 168069304 /nfs/dbraw/zinc/06/93/04/168069304.db2.gz ZFHMJVKRRYWZMK-UHFFFAOYSA-N 0 3 188.230 2.285 10 0 AEAEHN CNc1nc(C)c(-c2ccccc2)[nH]1 22000888 168071057 /nfs/dbraw/zinc/07/10/57/168071057.db2.gz LJQKJTQKSICDKV-UHFFFAOYSA-N 0 3 187.246 2.427 10 0 AEAEHN Cc1ncsc1[C@@H](N)CC(C)C 135280570 343957933 /nfs/dbraw/zinc/95/79/33/343957933.db2.gz DMOCLOPUCXAXOZ-QMMMGPOBSA-N 0 3 184.308 2.497 10 0 AEAEHN COCCN1Cc2ccccc2[C@@H]1C 336458499 168163121 /nfs/dbraw/zinc/16/31/21/168163121.db2.gz NDHSGJGVCQVQKH-JTQLQIEISA-N 0 3 191.274 2.210 10 0 AEAEHN COCCN1Cc2ccccc2[C@H]1C 336458500 168163831 /nfs/dbraw/zinc/16/38/31/168163831.db2.gz NDHSGJGVCQVQKH-SNVBAGLBSA-N 0 3 191.274 2.210 10 0 AEAEHN COC[C@@H](N)c1ccc(Cl)c(C)c1 82383496 168182353 /nfs/dbraw/zinc/18/23/53/168182353.db2.gz GONXPDRLQDKWEF-SNVBAGLBSA-N 0 3 199.681 2.295 10 0 AEAEHN COC[C@@H](N)c1ccc(Cl)s1 71506032 168182780 /nfs/dbraw/zinc/18/27/80/168182780.db2.gz RJWBYEOZXAXLAG-RXMQYKEDSA-N 0 3 191.683 2.048 10 0 AEAEHN COC[C@@H](N)c1c(C)cc(C)cc1C 22565897 168182991 /nfs/dbraw/zinc/18/29/91/168182991.db2.gz WGQAYQJECNORNX-LLVKDONJSA-N 0 3 193.290 2.258 10 0 AEAEHN COC[C@@H](N)c1cc(C)c(C)cc1C 71506573 168183246 /nfs/dbraw/zinc/18/32/46/168183246.db2.gz UFEWGYNTJDYBGC-GFCCVEGCSA-N 0 3 193.290 2.258 10 0 AEAEHN COC[C@@H](N)c1ccc(C(C)C)cc1 19264052 168183411 /nfs/dbraw/zinc/18/34/11/168183411.db2.gz RUOHCBYMXAQYQA-GFCCVEGCSA-N 0 3 193.290 2.456 10 0 AEAEHN COC[C@@H](N)c1ccc(SC)cc1 83265348 168183422 /nfs/dbraw/zinc/18/34/22/168183422.db2.gz NTTFPYGDGRJHAB-SNVBAGLBSA-N 0 3 197.303 2.055 10 0 AEAEHN COC[C@@](C)(N)c1cccc(Cl)c1 53173618 168185770 /nfs/dbraw/zinc/18/57/70/168185770.db2.gz WCWIGTYEDBYSHL-SNVBAGLBSA-N 0 3 199.681 2.160 10 0 AEAEHN COC[C@@](C)(N)c1ccccc1Cl 53173575 168185989 /nfs/dbraw/zinc/18/59/89/168185989.db2.gz CNLOWEKCJSQZNF-SNVBAGLBSA-N 0 3 199.681 2.160 10 0 AEAEHN COC[C@H](N)c1ccc(Cl)c(C)c1 82383497 168190917 /nfs/dbraw/zinc/19/09/17/168190917.db2.gz GONXPDRLQDKWEF-JTQLQIEISA-N 0 3 199.681 2.295 10 0 AEAEHN COC[C@H](N)c1ccc(Cl)s1 71506031 168191077 /nfs/dbraw/zinc/19/10/77/168191077.db2.gz RJWBYEOZXAXLAG-YFKPBYRVSA-N 0 3 191.683 2.048 10 0 AEAEHN COC[C@H](N)c1cc(C)c(C)cc1C 71506574 168191120 /nfs/dbraw/zinc/19/11/20/168191120.db2.gz UFEWGYNTJDYBGC-LBPRGKRZSA-N 0 3 193.290 2.258 10 0 AEAEHN COC[C@H](N)c1ccc(C(C)C)cc1 19264054 168191249 /nfs/dbraw/zinc/19/12/49/168191249.db2.gz RUOHCBYMXAQYQA-LBPRGKRZSA-N 0 3 193.290 2.456 10 0 AEAEHN COC[C@H](N)c1c(C)cc(C)cc1C 22565901 168191298 /nfs/dbraw/zinc/19/12/98/168191298.db2.gz WGQAYQJECNORNX-NSHDSACASA-N 0 3 193.290 2.258 10 0 AEAEHN COC[C@H](N)c1ccc(SC)cc1 83265347 168191960 /nfs/dbraw/zinc/19/19/60/168191960.db2.gz NTTFPYGDGRJHAB-JTQLQIEISA-N 0 3 197.303 2.055 10 0 AEAEHN COC[C@](C)(N)c1cccc(Cl)c1 53173619 168192721 /nfs/dbraw/zinc/19/27/21/168192721.db2.gz WCWIGTYEDBYSHL-JTQLQIEISA-N 0 3 199.681 2.160 10 0 AEAEHN COC[C@](C)(N)c1ccccc1Cl 53173576 168193568 /nfs/dbraw/zinc/19/35/68/168193568.db2.gz CNLOWEKCJSQZNF-JTQLQIEISA-N 0 3 199.681 2.160 10 0 AEAEHN COCc1ccc(CNC2CC2)s1 45206016 168194889 /nfs/dbraw/zinc/19/48/89/168194889.db2.gz QFHGOXFEOFRMBB-UHFFFAOYSA-N 0 3 197.303 2.147 10 0 AEAEHN COCc1oc2ccccc2c1CN 52602360 168198035 /nfs/dbraw/zinc/19/80/35/168198035.db2.gz MTYALGGNILHIKP-UHFFFAOYSA-N 0 3 191.230 2.038 10 0 AEAEHN Cc1ccncc1CN[C@H]1CC1(C)C 135457905 343963698 /nfs/dbraw/zinc/96/36/98/343963698.db2.gz CDXAQOARCWANCK-NSHDSACASA-N 0 3 190.290 2.278 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccc(C)cc1C 82387910 168203900 /nfs/dbraw/zinc/20/39/00/168203900.db2.gz IJQPFWYNGNYESV-CMPLNLGQSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccc(F)c(C)c1 82385144 168204028 /nfs/dbraw/zinc/20/40/28/168204028.db2.gz TXLALNGAHXSLCV-KWQFWETISA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccc(C)cc1C 82387911 168204484 /nfs/dbraw/zinc/20/44/84/168204484.db2.gz IJQPFWYNGNYESV-JQWIXIFHSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccc(F)c(C)c1 82385143 168204610 /nfs/dbraw/zinc/20/46/10/168204610.db2.gz TXLALNGAHXSLCV-GZMMTYOYSA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccc(C)cc1 23069370 168204940 /nfs/dbraw/zinc/20/49/40/168204940.db2.gz VDHUICDYHCNDPO-ONGXEEELSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1ccc(C)cc1 23069367 168205066 /nfs/dbraw/zinc/20/50/66/168205066.db2.gz VDHUICDYHCNDPO-GXSJLCMTSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@@H]1CCC[C@@H]1Nc1ccncc1 50374980 168205559 /nfs/dbraw/zinc/20/55/59/168205559.db2.gz PUVBSYTUUQWMRF-WDEREUQCSA-N 0 3 192.262 2.061 10 0 AEAEHN CO[C@@H]1CCCc2ccccc2[C@@H]1N 23068277 168208180 /nfs/dbraw/zinc/20/81/80/168208180.db2.gz VXMWGGITGIPJEI-NEPJUHHUSA-N 0 3 191.274 2.038 10 0 AEAEHN CO[C@@H]1CCC[C@H]1Nc1ccncc1 50374982 168208408 /nfs/dbraw/zinc/20/84/08/168208408.db2.gz PUVBSYTUUQWMRF-GHMZBOCLSA-N 0 3 192.262 2.061 10 0 AEAEHN CO[C@@H]1CCCc2ccccc2[C@H]1N 23068280 168208673 /nfs/dbraw/zinc/20/86/73/168208673.db2.gz VXMWGGITGIPJEI-VXGBXAGGSA-N 0 3 191.274 2.038 10 0 AEAEHN CO[C@H](C(C)C)[C@@H](N)c1ccccc1 19257514 168212326 /nfs/dbraw/zinc/21/23/26/168212326.db2.gz QNYOMWUHMQBUMF-NWDGAFQWSA-N 0 3 193.290 2.357 10 0 AEAEHN CO[C@H](C(C)C)[C@H](N)c1ccccc1 19257520 168212347 /nfs/dbraw/zinc/21/23/47/168212347.db2.gz QNYOMWUHMQBUMF-VXGBXAGGSA-N 0 3 193.290 2.357 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccc(C)cc1C 82387909 168213300 /nfs/dbraw/zinc/21/33/00/168213300.db2.gz IJQPFWYNGNYESV-PWSUYJOCSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccc(C)cc1C 82387908 168213412 /nfs/dbraw/zinc/21/34/12/168213412.db2.gz IJQPFWYNGNYESV-ZYHUDNBSSA-N 0 3 193.290 2.338 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccc(F)c(C)c1 82385142 168213480 /nfs/dbraw/zinc/21/34/80/168213480.db2.gz TXLALNGAHXSLCV-KCJUWKMLSA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@H](C)[C@H](N)c1ccc(C)cc1 23069372 168213780 /nfs/dbraw/zinc/21/37/80/168213780.db2.gz VDHUICDYHCNDPO-KOLCDFICSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccc(C)cc1 23069369 168214431 /nfs/dbraw/zinc/21/44/31/168214431.db2.gz VDHUICDYHCNDPO-MWLCHTKSSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccc(F)c(C)c1 82385141 168214445 /nfs/dbraw/zinc/21/44/45/168214445.db2.gz TXLALNGAHXSLCV-LDYMZIIASA-N 0 3 197.253 2.169 10 0 AEAEHN CO[C@H]1CCC[C@@H]1Nc1ccncc1 50374981 168216673 /nfs/dbraw/zinc/21/66/73/168216673.db2.gz PUVBSYTUUQWMRF-QWRGUYRKSA-N 0 3 192.262 2.061 10 0 AEAEHN CO[C@H]1CCC[C@H]1Nc1ccncc1 50374983 168216701 /nfs/dbraw/zinc/21/67/01/168216701.db2.gz PUVBSYTUUQWMRF-MNOVXSKESA-N 0 3 192.262 2.061 10 0 AEAEHN CO[C@H]1CCCc2ccccc2[C@H]1N 23068282 168216845 /nfs/dbraw/zinc/21/68/45/168216845.db2.gz VXMWGGITGIPJEI-NWDGAFQWSA-N 0 3 191.274 2.038 10 0 AEAEHN CO[C@H]1CCCc2ccccc2[C@@H]1N 23068278 168217045 /nfs/dbraw/zinc/21/70/45/168217045.db2.gz VXMWGGITGIPJEI-RYUDHWBXSA-N 0 3 191.274 2.038 10 0 AEAEHN COc1c(C)cc(Cl)cc1CN 71499729 168222956 /nfs/dbraw/zinc/22/29/56/168222956.db2.gz QVYIDZHTLCOVAJ-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN COc1c(C)cc(Cl)c(C)c1CN 71457086 168223163 /nfs/dbraw/zinc/22/31/63/168223163.db2.gz SCXMGIJXIIODJV-UHFFFAOYSA-N 0 3 199.681 2.424 10 0 AEAEHN COc1c(C)cc2ccncc2c1N 75578580 168223265 /nfs/dbraw/zinc/22/32/65/168223265.db2.gz AXVQYGRSMSDLPK-UHFFFAOYSA-N 0 3 188.230 2.134 10 0 AEAEHN COc1c(C)cc(C)cc1C1(N)CC1 71505920 168223852 /nfs/dbraw/zinc/22/38/52/168223852.db2.gz XHFJSGHLLRZDDF-UHFFFAOYSA-N 0 3 191.274 2.260 10 0 AEAEHN COc1c(C)c(Cl)cc(C)c1CN 82912251 168223940 /nfs/dbraw/zinc/22/39/40/168223940.db2.gz BPQXACTVODVOFY-UHFFFAOYSA-N 0 3 199.681 2.424 10 0 AEAEHN COc1c(F)ccc2c1CCN[C@H]2C 75790856 168224675 /nfs/dbraw/zinc/22/46/75/168224675.db2.gz VGYAMNNLBVSSQG-ZETCQYMHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1c(Cl)cc(C)cc1CN 82878733 168224743 /nfs/dbraw/zinc/22/47/43/168224743.db2.gz QWPKUAMFMWTLFE-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN COc1c(CN)ccc2ccsc12 82893099 168224815 /nfs/dbraw/zinc/22/48/15/168224815.db2.gz PCILBLLBWOWIHE-UHFFFAOYSA-N 0 3 193.271 2.369 10 0 AEAEHN COc1c(CN)ccc2ccccc12 82635970 168224880 /nfs/dbraw/zinc/22/48/80/168224880.db2.gz YZPIDRJCEOIAQH-UHFFFAOYSA-N 0 3 187.242 2.307 10 0 AEAEHN COc1c(F)ccc2c1[C@H](C)NCC2 75690144 168224997 /nfs/dbraw/zinc/22/49/97/168224997.db2.gz BJTLQUMVGGKQTK-ZETCQYMHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1c(F)ccc2c1[C@@H](C)NCC2 75690142 168225505 /nfs/dbraw/zinc/22/55/05/168225505.db2.gz BJTLQUMVGGKQTK-SSDOTTSWSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1c(Cl)cccc1[C@H](C)N 41203370 168225568 /nfs/dbraw/zinc/22/55/68/168225568.db2.gz UPPYOBBHIQCHKE-LURJTMIESA-N 0 3 185.654 2.368 10 0 AEAEHN COc1c(F)ccc2c1CCN[C@@H]2C 75790853 168225743 /nfs/dbraw/zinc/22/57/43/168225743.db2.gz VGYAMNNLBVSSQG-SSDOTTSWSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1c(F)cccc1CNC1CC1 83342261 168225755 /nfs/dbraw/zinc/22/57/55/168225755.db2.gz MYZOGCKTXWQGCT-UHFFFAOYSA-N 0 3 195.237 2.086 10 0 AEAEHN COc1c(Cl)cccc1[C@@H](C)N 41203373 168225840 /nfs/dbraw/zinc/22/58/40/168225840.db2.gz UPPYOBBHIQCHKE-ZCFIWIBFSA-N 0 3 185.654 2.368 10 0 AEAEHN COc1c(CN)sc2ccccc12 82893104 168225858 /nfs/dbraw/zinc/22/58/58/168225858.db2.gz SJNLZDSMQTYTNR-UHFFFAOYSA-N 0 3 193.271 2.369 10 0 AEAEHN COc1c(F)cccc1CNC(C)C 83342737 168225892 /nfs/dbraw/zinc/22/58/92/168225892.db2.gz DCTZIJHHAWLOPF-UHFFFAOYSA-N 0 3 197.253 2.332 10 0 AEAEHN COc1c(CN)ccc2c(C)coc12 82889374 168225902 /nfs/dbraw/zinc/22/59/02/168225902.db2.gz WDAWTIRHGBPHKM-UHFFFAOYSA-N 0 3 191.230 2.209 10 0 AEAEHN COc1c(CN)ccc(C)c1Cl 82878731 168226059 /nfs/dbraw/zinc/22/60/59/168226059.db2.gz QDZYGRYVHODPFU-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN COc1c(CN)cc2ccoc2c1C 82889363 168226133 /nfs/dbraw/zinc/22/61/33/168226133.db2.gz NLJLRHFAXASJKQ-UHFFFAOYSA-N 0 3 191.230 2.209 10 0 AEAEHN COc1cc(C)c(C)cc1C1(N)CC1 71505902 168228701 /nfs/dbraw/zinc/22/87/01/168228701.db2.gz BMDQBKKLKGTFLX-UHFFFAOYSA-N 0 3 191.274 2.260 10 0 AEAEHN COc1cc(C(C)C)ccc1CN 71497967 168229158 /nfs/dbraw/zinc/22/91/58/168229158.db2.gz FCJLXVKDMXAQEB-UHFFFAOYSA-N 0 3 179.263 2.277 10 0 AEAEHN COc1cc(C)cc(C)c1C1(N)CC1 82890128 168229814 /nfs/dbraw/zinc/22/98/14/168229814.db2.gz ITUXNHOPSVKGBY-UHFFFAOYSA-N 0 3 191.274 2.260 10 0 AEAEHN COc1cc(C)c([C@H](C)N)c(OC)c1 77295807 168230200 /nfs/dbraw/zinc/23/02/00/168230200.db2.gz AVYOGEJOCSNGJI-QMMMGPOBSA-N 0 3 195.262 2.032 10 0 AEAEHN COc1cc(C)c2nccc(N)c2c1 61569070 168230522 /nfs/dbraw/zinc/23/05/22/168230522.db2.gz NRFFLRSTIUPDAT-UHFFFAOYSA-N 0 3 188.230 2.134 10 0 AEAEHN COc1cc(C)cc2ccnc(N)c12 71482646 168230654 /nfs/dbraw/zinc/23/06/54/168230654.db2.gz UWKNNVDDXSZYKN-UHFFFAOYSA-N 0 3 188.230 2.134 10 0 AEAEHN COc1cc(C)c([C@@H](C)N)c(OC)c1 77295806 168230703 /nfs/dbraw/zinc/23/07/03/168230703.db2.gz AVYOGEJOCSNGJI-MRVPVSSYSA-N 0 3 195.262 2.032 10 0 AEAEHN COc1cc(C)c(Cl)c(C)c1CN 71454952 168230869 /nfs/dbraw/zinc/23/08/69/168230869.db2.gz YDRKHBYKWNQWKA-UHFFFAOYSA-N 0 3 199.681 2.424 10 0 AEAEHN COc1cc(Cl)ccc1[C@H](C)N 82878750 168233842 /nfs/dbraw/zinc/23/38/42/168233842.db2.gz MHRDUPOGMYSSOE-LURJTMIESA-N 0 3 185.654 2.368 10 0 in-vitro AEAEHN COc1cc(Cl)c(C)cc1CN 83158346 168234214 /nfs/dbraw/zinc/23/42/14/168234214.db2.gz KLKOEDZTWACVCO-UHFFFAOYSA-N 0 3 185.654 2.116 10 0 AEAEHN COc1cc(Cl)ccc1[C@@H](C)N 82878752 168234411 /nfs/dbraw/zinc/23/44/11/168234411.db2.gz MHRDUPOGMYSSOE-ZCFIWIBFSA-N 0 3 185.654 2.368 10 0 in-vitro AEAEHN COc1cc(F)c2c(c1)[C@@H](C)NCC2 75700882 168235266 /nfs/dbraw/zinc/23/52/66/168235266.db2.gz NJOYNEIRAYCMBW-SSDOTTSWSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1cc(F)c2c(c1)[C@H](C)NCC2 75700884 168235561 /nfs/dbraw/zinc/23/55/61/168235561.db2.gz NJOYNEIRAYCMBW-ZETCQYMHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1cc([C@H](C)N)c(OC)cc1C 3705605 168238532 /nfs/dbraw/zinc/23/85/32/168238532.db2.gz QLHBAJMKAHGCNW-QMMMGPOBSA-N 0 3 195.262 2.032 10 0 AEAEHN COc1cc([C@@H](C)N)c(OC)cc1C 3705604 168239536 /nfs/dbraw/zinc/23/95/36/168239536.db2.gz QLHBAJMKAHGCNW-MRVPVSSYSA-N 0 3 195.262 2.032 10 0 AEAEHN COc1cc2c(cc1F)[C@@H](C)NCC2 75690147 168239931 /nfs/dbraw/zinc/23/99/31/168239931.db2.gz LBORRJCZWYIHHP-SSDOTTSWSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1cc2c(cc1F)CCN[C@H]2C 75650870 168240450 /nfs/dbraw/zinc/24/04/50/168240450.db2.gz CCTWJCXFJFAYJM-ZETCQYMHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1cc2c3c(cccc3c1)CNC2 90529340 168240521 /nfs/dbraw/zinc/24/05/21/168240521.db2.gz ZNCMCJHWGGXSLJ-UHFFFAOYSA-N 0 3 199.253 2.452 10 0 AEAEHN COc1cc2c(cc1F)[C@H](C)NCC2 75690150 168240550 /nfs/dbraw/zinc/24/05/50/168240550.db2.gz LBORRJCZWYIHHP-ZETCQYMHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1cc2cc(C)oc2cc1CN 82889373 168240848 /nfs/dbraw/zinc/24/08/48/168240848.db2.gz WNRLZVBNOVDBOG-UHFFFAOYSA-N 0 3 191.230 2.209 10 0 AEAEHN COc1cc2c(cc1F)CCN[C@@H]2C 75650866 168241224 /nfs/dbraw/zinc/24/12/24/168241224.db2.gz CCTWJCXFJFAYJM-SSDOTTSWSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1cc2ccnc(N)c2cc1C 71482637 168242423 /nfs/dbraw/zinc/24/24/23/168242423.db2.gz SGOQDJPIDTUAKQ-UHFFFAOYSA-N 0 3 188.230 2.134 10 0 AEAEHN COc1cc2occ(C)c2cc1CN 82889369 168242949 /nfs/dbraw/zinc/24/29/49/168242949.db2.gz TWYXZBQMQCOKMU-UHFFFAOYSA-N 0 3 191.230 2.209 10 0 AEAEHN COc1ccc(C(C)C)cc1CN 34529157 168246436 /nfs/dbraw/zinc/24/64/36/168246436.db2.gz FGBLJWHMRIDEAR-UHFFFAOYSA-N 0 3 179.263 2.277 10 0 AEAEHN COc1ccc(CN2CC(C)C2)cc1 335726821 168250953 /nfs/dbraw/zinc/25/09/53/168250953.db2.gz YDSMVWKAGVUYBW-UHFFFAOYSA-N 0 3 191.274 2.147 10 0 AEAEHN COc1ccc(F)c2c1[C@@H](C)CNC2 57489646 168252124 /nfs/dbraw/zinc/25/21/24/168252124.db2.gz ZKTAEHSROFOOJB-ZETCQYMHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1ccc(Cl)cc1C1(N)CC1 36906449 168252683 /nfs/dbraw/zinc/25/26/83/168252683.db2.gz PWFSRESXVBYACJ-UHFFFAOYSA-N 0 3 197.665 2.296 10 0 AEAEHN COc1ccc(F)c2c1[C@H](C)CNC2 57489643 168253022 /nfs/dbraw/zinc/25/30/22/168253022.db2.gz ZKTAEHSROFOOJB-SSDOTTSWSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1ccc(F)cc1[C@H](N)C(C)C 20470560 168253509 /nfs/dbraw/zinc/25/35/09/168253509.db2.gz NHUFIIBIUIUPMB-LLVKDONJSA-N 0 3 197.253 2.490 10 0 AEAEHN COc1ccc(F)cc1[C@@H](N)C1CC1 3739173 168253941 /nfs/dbraw/zinc/25/39/41/168253941.db2.gz GLUHGARBBUHEIB-NSHDSACASA-N 0 3 195.237 2.244 10 0 AEAEHN COc1ccc(F)cc1[C@H](N)C1CC1 3739172 168254472 /nfs/dbraw/zinc/25/44/72/168254472.db2.gz GLUHGARBBUHEIB-LLVKDONJSA-N 0 3 195.237 2.244 10 0 AEAEHN COc1ccc(F)cc1[C@@H](N)C(C)C 20470559 168254772 /nfs/dbraw/zinc/25/47/72/168254772.db2.gz NHUFIIBIUIUPMB-NSHDSACASA-N 0 3 197.253 2.490 10 0 AEAEHN COc1ccc2c(c1)C(C)(C)CNC2 39201079 168262491 /nfs/dbraw/zinc/26/24/91/168262491.db2.gz FFSDUEDAAQFMHC-UHFFFAOYSA-N 0 3 191.274 2.076 10 0 AEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](C)S2 43635783 168262953 /nfs/dbraw/zinc/26/29/53/168262953.db2.gz HFEGAWJGAFMXOW-LDWIPMOCSA-N 0 3 195.287 2.189 10 0 AEAEHN COc1ccc2c(c1)N(C)C(=N)[C@H]2C 100242706 168263249 /nfs/dbraw/zinc/26/32/49/168263249.db2.gz FDMZUVHKEKQUCA-ZETCQYMHSA-N 0 3 190.246 2.226 10 0 AEAEHN COc1ccc2c(c1)N(C)C(=N)[C@@H]2C 39090399 168263289 /nfs/dbraw/zinc/26/32/89/168263289.db2.gz FDMZUVHKEKQUCA-SSDOTTSWSA-N 0 3 190.246 2.226 10 0 AEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](C)S2 43635785 168263420 /nfs/dbraw/zinc/26/34/20/168263420.db2.gz HFEGAWJGAFMXOW-WKEGUHRASA-N 0 3 195.287 2.189 10 0 AEAEHN COc1ccc2cc(CN)sc2c1 82893087 168264210 /nfs/dbraw/zinc/26/42/10/168264210.db2.gz JDMPQVITKXFBBQ-UHFFFAOYSA-N 0 3 193.271 2.369 10 0 AEAEHN COc1ccc2cc([C@H](C)N)oc2c1 3705352 168264616 /nfs/dbraw/zinc/26/46/16/168264616.db2.gz STZUCZCZZVXBQV-ZETCQYMHSA-N 0 3 191.230 2.461 10 0 AEAEHN COc1ccc2c(c1)[C@H](N)[C@H](C)S2 43635789 168264715 /nfs/dbraw/zinc/26/47/15/168264715.db2.gz HFEGAWJGAFMXOW-QUBYGPBYSA-N 0 3 195.287 2.189 10 0 AEAEHN COc1ccc2c(c1F)[C@H](C)NCC2 75650862 168264922 /nfs/dbraw/zinc/26/49/22/168264922.db2.gz MLUOBKMKQKMDBI-ZETCQYMHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1ccc2cc([C@@H](C)N)oc2c1 3705353 168265345 /nfs/dbraw/zinc/26/53/45/168265345.db2.gz STZUCZCZZVXBQV-SSDOTTSWSA-N 0 3 191.230 2.461 10 0 AEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](C)S2 43635787 168265444 /nfs/dbraw/zinc/26/54/44/168265444.db2.gz HFEGAWJGAFMXOW-LHLIQPBNSA-N 0 3 195.287 2.189 10 0 AEAEHN COc1ccc2c(c1F)[C@@H](C)NCC2 75650860 168265451 /nfs/dbraw/zinc/26/54/51/168265451.db2.gz MLUOBKMKQKMDBI-SSDOTTSWSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1ccc2oc([C@H](C)N)cc2c1 3705354 168266259 /nfs/dbraw/zinc/26/62/59/168266259.db2.gz VCQVCNAKVCVRQX-ZETCQYMHSA-N 0 3 191.230 2.461 10 0 AEAEHN COc1ccc2oc([C@@H](C)N)cc2c1 3705355 168266537 /nfs/dbraw/zinc/26/65/37/168266537.db2.gz VCQVCNAKVCVRQX-SSDOTTSWSA-N 0 3 191.230 2.461 10 0 AEAEHN COc1ccc2sccc2c1CN 82893098 168266634 /nfs/dbraw/zinc/26/66/34/168266634.db2.gz NKGUGODSVACYCU-UHFFFAOYSA-N 0 3 193.271 2.369 10 0 AEAEHN COc1cccc(C)c1[C@H](C)N 95938071 168267514 /nfs/dbraw/zinc/26/75/14/168267514.db2.gz CEOUGENUEZLTRB-QMMMGPOBSA-N 0 3 165.236 2.023 10 0 AEAEHN COc1cccc(F)c1[C@H](N)C1CC1 75902586 168268821 /nfs/dbraw/zinc/26/88/21/168268821.db2.gz MZMJUFBUNZYSBQ-LLVKDONJSA-N 0 3 195.237 2.244 10 0 AEAEHN COc1cccc(F)c1[C@@H](N)C(C)C 75853992 168269061 /nfs/dbraw/zinc/26/90/61/168269061.db2.gz HWHVXFJTSHVZIS-NSHDSACASA-N 0 3 197.253 2.490 10 0 AEAEHN COc1cccc(F)c1[C@@H](N)C1CC1 75902587 168269304 /nfs/dbraw/zinc/26/93/04/168269304.db2.gz MZMJUFBUNZYSBQ-NSHDSACASA-N 0 3 195.237 2.244 10 0 AEAEHN COc1cccc(F)c1[C@H](N)C(C)C 75853993 168269638 /nfs/dbraw/zinc/26/96/38/168269638.db2.gz HWHVXFJTSHVZIS-LLVKDONJSA-N 0 3 197.253 2.490 10 0 AEAEHN COc1cccc(CN2CC(C)C2)c1 335726766 168269975 /nfs/dbraw/zinc/26/99/75/168269975.db2.gz SJBYNXASIDPWRL-UHFFFAOYSA-N 0 3 191.274 2.147 10 0 AEAEHN COc1cccc(NC2=NCCC2)c1 3866604 168270075 /nfs/dbraw/zinc/27/00/75/168270075.db2.gz JBZVXSRMPGQQNM-UHFFFAOYSA-N 0 3 190.246 2.299 10 0 AEAEHN COc1cccc(F)c1C(C)(C)N 75903030 168270134 /nfs/dbraw/zinc/27/01/34/168270134.db2.gz JXPOQJPBMWCURK-UHFFFAOYSA-N 0 3 183.226 2.028 10 0 AEAEHN COc1cccc2c1CNC2(C)C 39038674 168273520 /nfs/dbraw/zinc/27/35/20/168273520.db2.gz IECKIBLPJQAACO-UHFFFAOYSA-N 0 3 177.247 2.034 10 0 AEAEHN COc1cccc2c1CNC(C)(C)C2 45495244 168273716 /nfs/dbraw/zinc/27/37/16/168273716.db2.gz NPDNAPYRESPPNL-UHFFFAOYSA-N 0 3 191.274 2.120 10 0 AEAEHN COc1cccc2c1C(C)(C)CNC2 58521515 168274018 /nfs/dbraw/zinc/27/40/18/168274018.db2.gz NFZPSFGPVZMUPD-UHFFFAOYSA-N 0 3 191.274 2.076 10 0 AEAEHN COc1cccc2c1S[C@@H](C)[C@@H]2N 43642060 168275023 /nfs/dbraw/zinc/27/50/23/168275023.db2.gz INKXTDKGCWTVMO-RCOVLWMOSA-N 0 3 195.287 2.189 10 0 AEAEHN COc1cccc2sc(CN)cc12 82893100 168275061 /nfs/dbraw/zinc/27/50/61/168275061.db2.gz YGBLASOFEFYUKA-UHFFFAOYSA-N 0 3 193.271 2.369 10 0 AEAEHN COc1cccc2cc(CN)sc12 82893086 168275157 /nfs/dbraw/zinc/27/51/57/168275157.db2.gz YBOVJHHSWFGGDU-UHFFFAOYSA-N 0 3 193.271 2.369 10 0 AEAEHN COc1cccc2c1S[C@@H](C)[C@H]2N 43642062 168275257 /nfs/dbraw/zinc/27/52/57/168275257.db2.gz INKXTDKGCWTVMO-IMTBSYHQSA-N 0 3 195.287 2.189 10 0 AEAEHN COc1cccc2c1S[C@H](C)[C@H]2N 43642061 168275600 /nfs/dbraw/zinc/27/56/00/168275600.db2.gz INKXTDKGCWTVMO-HZGVNTEJSA-N 0 3 195.287 2.189 10 0 AEAEHN COc1cccc2c1S[C@H](C)[C@@H]2N 43642059 168275803 /nfs/dbraw/zinc/27/58/03/168275803.db2.gz INKXTDKGCWTVMO-MUWHJKNJSA-N 0 3 195.287 2.189 10 0 AEAEHN COc1cccc2c1[C@H](C)C(=N)N2C 100242681 168276137 /nfs/dbraw/zinc/27/61/37/168276137.db2.gz GVUQQWLOAGMFTB-ZETCQYMHSA-N 0 3 190.246 2.226 10 0 AEAEHN COc1cccc2c1[C@@H](C)C(=N)N2C 39090391 168276171 /nfs/dbraw/zinc/27/61/71/168276171.db2.gz GVUQQWLOAGMFTB-SSDOTTSWSA-N 0 3 190.246 2.226 10 0 AEAEHN COc1ccccc1[C@H](N)C1(C)CC1 71505883 168277847 /nfs/dbraw/zinc/27/78/47/168277847.db2.gz MFNYWBMUXASNLI-NSHDSACASA-N 0 3 191.274 2.495 10 0 AEAEHN COc1ccccc1[C@H](N)CSC 54495086 168278504 /nfs/dbraw/zinc/27/85/04/168278504.db2.gz GECOFEOSSJXFCX-SECBINFHSA-N 0 3 197.303 2.058 10 0 AEAEHN CSCCN1CCC[C@@](C)(F)C1 336267509 168299658 /nfs/dbraw/zinc/29/96/58/168299658.db2.gz UFJKBCIUNPDLHO-SECBINFHSA-N 0 3 191.315 2.173 10 0 AEAEHN CSCCN1CCC[C@](C)(F)C1 336267510 168300258 /nfs/dbraw/zinc/30/02/58/168300258.db2.gz UFJKBCIUNPDLHO-VIFPVBQESA-N 0 3 191.315 2.173 10 0 AEAEHN CSC[C@@H](N)c1cccc(F)c1 54495084 168301830 /nfs/dbraw/zinc/30/18/30/168301830.db2.gz CIHIWDFANYMRNE-SECBINFHSA-N 0 3 185.267 2.189 10 0 AEAEHN CSC[C@@H](N)c1cccs1 40543558 168302383 /nfs/dbraw/zinc/30/23/83/168302383.db2.gz MDMRHOPLZSUIHI-ZCFIWIBFSA-N 0 3 173.306 2.111 10 0 AEAEHN CSC[C@@H](N)c1cc(C)ccc1F 55229653 168302529 /nfs/dbraw/zinc/30/25/29/168302529.db2.gz XGTOVJIYHULURO-SNVBAGLBSA-N 0 3 199.294 2.497 10 0 AEAEHN CSC[C@@H](N)c1cc(F)ccc1C 55229635 168302848 /nfs/dbraw/zinc/30/28/48/168302848.db2.gz MBMQFVJGVLLVGW-SNVBAGLBSA-N 0 3 199.294 2.497 10 0 AEAEHN CSC[C@@H](N)c1ccccc1F 54495135 168303420 /nfs/dbraw/zinc/30/34/20/168303420.db2.gz QPIAZOLIFLVVCH-SECBINFHSA-N 0 3 185.267 2.189 10 0 AEAEHN CSC[C@H](N)c1cccs1 40543555 168304102 /nfs/dbraw/zinc/30/41/02/168304102.db2.gz MDMRHOPLZSUIHI-LURJTMIESA-N 0 3 173.306 2.111 10 0 AEAEHN CSCc1ncc([C@H](C)N)s1 54497013 168304295 /nfs/dbraw/zinc/30/42/95/168304295.db2.gz UCDLKCFDJUUOGB-YFKPBYRVSA-N 0 3 188.321 2.026 10 0 AEAEHN CSC[C@H](N)c1ccccc1F 54495134 168304365 /nfs/dbraw/zinc/30/43/65/168304365.db2.gz QPIAZOLIFLVVCH-VIFPVBQESA-N 0 3 185.267 2.189 10 0 AEAEHN CSC[C@H](N)c1cc(F)ccc1C 55229637 168304824 /nfs/dbraw/zinc/30/48/24/168304824.db2.gz MBMQFVJGVLLVGW-JTQLQIEISA-N 0 3 199.294 2.497 10 0 AEAEHN CSC[C@H](N)c1cc(C)ccc1F 55229656 168305053 /nfs/dbraw/zinc/30/50/53/168305053.db2.gz XGTOVJIYHULURO-JTQLQIEISA-N 0 3 199.294 2.497 10 0 AEAEHN CSC[C@H](N)c1cccc(F)c1 54495082 168305085 /nfs/dbraw/zinc/30/50/85/168305085.db2.gz CIHIWDFANYMRNE-VIFPVBQESA-N 0 3 185.267 2.189 10 0 AEAEHN CSCc1ncc([C@@H](C)N)s1 54497015 168305355 /nfs/dbraw/zinc/30/53/55/168305355.db2.gz UCDLKCFDJUUOGB-RXMQYKEDSA-N 0 3 188.321 2.026 10 0 AEAEHN CSc1c(F)cccc1CN 82633691 168310067 /nfs/dbraw/zinc/31/00/67/168310067.db2.gz FFUPKHDPHWEBKF-UHFFFAOYSA-N 0 3 171.240 2.006 10 0 AEAEHN CSc1ccc([C@@H]2CNCO2)cc1 82530960 168310626 /nfs/dbraw/zinc/31/06/26/168310626.db2.gz PKTAITKOAQSFER-JTQLQIEISA-N 0 3 195.287 2.027 10 0 AEAEHN CSc1ccc(F)c(CN)c1 75915291 168310852 /nfs/dbraw/zinc/31/08/52/168310852.db2.gz VFBQEZWPQZCPIJ-UHFFFAOYSA-N 0 3 171.240 2.006 10 0 AEAEHN CSc1ccc([C@H]2CNCO2)cc1 82530961 168311822 /nfs/dbraw/zinc/31/18/22/168311822.db2.gz PKTAITKOAQSFER-SNVBAGLBSA-N 0 3 195.287 2.027 10 0 AEAEHN CSc1ccc2c(c1)CNCC2 13518451 168312726 /nfs/dbraw/zinc/31/27/26/168312726.db2.gz XXVAZHMAHYNQBC-UHFFFAOYSA-N 0 3 179.288 2.054 10 0 AEAEHN CSc1cccc(CN)c1F 75915293 168312772 /nfs/dbraw/zinc/31/27/72/168312772.db2.gz WGBHXOTVHXBYJP-UHFFFAOYSA-N 0 3 171.240 2.006 10 0 AEAEHN CSc1ccc2c(c1)CCN=C2 137283672 168313084 /nfs/dbraw/zinc/31/30/84/168313084.db2.gz UTQURBAJYOAIOP-UHFFFAOYSA-N 0 3 177.272 2.384 10 0 AEAEHN CSc1ccc2c(c1)CCNC2 19088233 168313241 /nfs/dbraw/zinc/31/32/41/168313241.db2.gz WJQBGWFWCGJQHK-UHFFFAOYSA-N 0 3 179.288 2.054 10 0 AEAEHN C[C@@H](C(N)=O)N1CC(C)(C)C[C@H]1C 335189140 168325251 /nfs/dbraw/zinc/32/52/51/168325251.db2.gz KKOYGXHTFUTJPQ-SFYZADRCSA-N 0 3 184.283 2.031 10 0 AEAEHN C[C@@H](C1CC1)N(C)[C@@H]1CCCCC1=O 37338758 168331939 /nfs/dbraw/zinc/33/19/39/168331939.db2.gz FCOYWYIMZHFNGU-GXSJLCMTSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H](CN1CCCC1)C(F)(F)F 307559220 168346327 /nfs/dbraw/zinc/34/63/27/168346327.db2.gz WUBDEPITCKTHQE-ZETCQYMHSA-N 0 3 181.201 2.281 10 0 AEAEHN C[C@@H](N(C)[C@@H]1CCCC1=O)C(C)(C)C 42774155 168355594 /nfs/dbraw/zinc/35/55/94/168355594.db2.gz DKVJHDHOWCGZJM-NXEZZACHSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H]([NH3+])CCc1ccc([O-])c(Cl)c1 62153551 168362553 /nfs/dbraw/zinc/36/25/53/168362553.db2.gz WSFHFJIGWWJLSI-SSDOTTSWSA-N 0 3 199.681 2.325 10 0 AEAEHN C[C@@H](N)[C@@H](OCC1CC1)c1ccco1 43337408 168365476 /nfs/dbraw/zinc/36/54/76/168365476.db2.gz FRFAIFLLPREWDJ-LDYMZIIASA-N 0 3 195.262 2.095 10 0 AEAEHN C[C@@H](N)[C@@H](OC(C)(C)C)c1ccco1 43337542 168365840 /nfs/dbraw/zinc/36/58/40/168365840.db2.gz VSDQVLWYYWEUGX-PSASIEDQSA-N 0 3 197.278 2.483 10 0 AEAEHN C[C@@H](N)c1c[nH]c(C2CCCCC2)n1 82516962 168367528 /nfs/dbraw/zinc/36/75/28/168367528.db2.gz AAXNIFBGKJKWHZ-MRVPVSSYSA-N 0 3 193.294 2.477 10 0 AEAEHN C[C@@H](N)c1c(F)c(F)cc(F)c1F 75845004 168367639 /nfs/dbraw/zinc/36/76/39/168367639.db2.gz KJVZCKIKNVBVAK-GSVOUGTGSA-N 0 3 193.143 2.263 10 0 AEAEHN C[C@@H](N)c1n[nH]cc1-c1ccccc1 75845369 168368128 /nfs/dbraw/zinc/36/81/28/168368128.db2.gz ZUCMTLFBRWUYSF-MRVPVSSYSA-N 0 3 187.246 2.096 10 0 AEAEHN C[C@@H](N)c1c[nH]c(-c2cccs2)n1 82517154 168368308 /nfs/dbraw/zinc/36/83/08/168368308.db2.gz ITHWJTQXAPGEDA-ZCFIWIBFSA-N 0 3 193.275 2.158 10 0 AEAEHN C[C@@H](N)[C@H](OC(C)(C)C)c1ccco1 43337540 168368722 /nfs/dbraw/zinc/36/87/22/168368722.db2.gz VSDQVLWYYWEUGX-SCZZXKLOSA-N 0 3 197.278 2.483 10 0 AEAEHN C[C@@H](N)c1ccc2cc(F)ccc2n1 83277500 168369384 /nfs/dbraw/zinc/36/93/84/168369384.db2.gz SCMSWIUYGVKYEZ-SSDOTTSWSA-N 0 3 190.221 2.394 10 0 AEAEHN C[C@@H](N)c1ccc(-c2ccncc2)o1 82706471 168369633 /nfs/dbraw/zinc/36/96/33/168369633.db2.gz DZOYGYAGTFERRK-MRVPVSSYSA-N 0 3 188.230 2.361 10 0 AEAEHN C[C@@H](N)c1cc2cccnc2s1 82870694 168369872 /nfs/dbraw/zinc/36/98/72/168369872.db2.gz YUBPCXYVZCMZJO-ZCFIWIBFSA-N 0 3 178.260 2.316 10 0 AEAEHN C[C@@H](N)c1ccc([C@H]2C[C@H]2C)o1 34802198 168369965 /nfs/dbraw/zinc/36/99/65/168369965.db2.gz FIXRCZFOHYWZHF-PRJMDXOYSA-N 0 3 165.236 2.423 10 0 AEAEHN C[C@@H](N)c1cc(Cl)ccc1N(C)C 34450718 168370135 /nfs/dbraw/zinc/37/01/35/168370135.db2.gz SXYKELSBVDDOKO-SSDOTTSWSA-N 0 3 198.697 2.426 10 0 AEAEHN C[C@@H](N)c1ccc(Cl)nc1Cl 83591885 168370363 /nfs/dbraw/zinc/37/03/63/168370363.db2.gz TZTTUKHATVHCRK-SCSAIBSYSA-N 0 3 191.061 2.408 10 0 AEAEHN C[C@@H](N)c1cc(C(F)(F)F)c[nH]1 82870112 168370368 /nfs/dbraw/zinc/37/03/68/168370368.db2.gz ZCWMJUFGSCXVQL-SCSAIBSYSA-N 0 3 178.157 2.053 10 0 AEAEHN C[C@@H](N)c1ccc([C@@H]2C[C@H]2C)o1 34802200 168370408 /nfs/dbraw/zinc/37/04/08/168370408.db2.gz FIXRCZFOHYWZHF-BWZBUEFSSA-N 0 3 165.236 2.423 10 0 AEAEHN C[C@@H](N)c1ccc2ccccc2n1 63075930 168370526 /nfs/dbraw/zinc/37/05/26/168370526.db2.gz OSJLYUIRCUMENX-MRVPVSSYSA-N 0 3 172.231 2.255 10 0 AEAEHN C[C@@H](N)c1cc(F)c(F)c(F)c1F 83591670 168370544 /nfs/dbraw/zinc/37/05/44/168370544.db2.gz IVAUDBINAXMIIU-GSVOUGTGSA-N 0 3 193.143 2.263 10 0 AEAEHN C[C@@H](N)c1ccc(-c2cccnc2)o1 82706437 168370659 /nfs/dbraw/zinc/37/06/59/168370659.db2.gz PMVOZWNQCYLPQS-MRVPVSSYSA-N 0 3 188.230 2.361 10 0 AEAEHN C[C@@H](N)c1cc2ccccc2n1C 83272270 168370666 /nfs/dbraw/zinc/37/06/66/168370666.db2.gz XYMCJXGZRAPBPQ-MRVPVSSYSA-N 0 3 174.247 2.198 10 0 AEAEHN C[C@@H](N)c1cc(-c2ccccc2)n[nH]1 74278997 168370680 /nfs/dbraw/zinc/37/06/80/168370680.db2.gz XAKVFWQYVKIXIN-MRVPVSSYSA-N 0 3 187.246 2.096 10 0 AEAEHN C[C@@H](N)c1cc2c(F)cccc2[nH]1 82870360 168370803 /nfs/dbraw/zinc/37/08/03/168370803.db2.gz KCNMFIUXSVMZAD-ZCFIWIBFSA-N 0 3 178.210 2.327 10 0 AEAEHN C[C@@H](N)c1cccc(C(F)(F)F)n1 95715017 168370900 /nfs/dbraw/zinc/37/09/00/168370900.db2.gz FZDWTYLPDDKVAA-RXMQYKEDSA-N 0 3 190.168 2.120 10 0 AEAEHN C[C@@H](N)c1cc(Cl)cnc1Cl 83592067 168370906 /nfs/dbraw/zinc/37/09/06/168370906.db2.gz CFRMGIBNLMAKGG-SCSAIBSYSA-N 0 3 191.061 2.408 10 0 AEAEHN C[C@@H](N)c1ccc(C(F)(F)F)o1 82870906 168370916 /nfs/dbraw/zinc/37/09/16/168370916.db2.gz KDJNSPNKRXHOQU-SCSAIBSYSA-N 0 3 179.141 2.318 10 0 AEAEHN C[C@@H](N)c1cc(-c2cccs2)n[nH]1 74247795 168370953 /nfs/dbraw/zinc/37/09/53/168370953.db2.gz ACFKIHYRJIAFJP-ZCFIWIBFSA-N 0 3 193.275 2.158 10 0 AEAEHN C[C@@H](N)c1ccc(-c2ccco2)cn1 71609187 168371104 /nfs/dbraw/zinc/37/11/04/168371104.db2.gz NDLUEVGHXSCYRU-MRVPVSSYSA-N 0 3 188.230 2.361 10 0 AEAEHN C[C@@H](N)c1cnc2c(Cl)cccn12 82695419 168371296 /nfs/dbraw/zinc/37/12/96/168371296.db2.gz RYUWTFORZTZYAC-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1c[nH]c(-c2ccccc2)n1 82391701 168371312 /nfs/dbraw/zinc/37/13/12/168371312.db2.gz YFVZPDCNRWNHNX-MRVPVSSYSA-N 0 3 187.246 2.096 10 0 AEAEHN C[C@@H](N)c1cnc(C2CC2)s1 54159281 168371392 /nfs/dbraw/zinc/37/13/92/168371392.db2.gz YUGSHZYAVGZLGW-RXMQYKEDSA-N 0 3 168.265 2.040 10 0 AEAEHN C[C@@H](N)c1nc2c(O)cccc2s1 75845137 168371454 /nfs/dbraw/zinc/37/14/54/168371454.db2.gz XLQJDALHBUTMGI-RXMQYKEDSA-N 0 3 194.259 2.022 10 0 AEAEHN C[C@@H](N)c1csc(-c2ccco2)n1 41628072 168371498 /nfs/dbraw/zinc/37/14/98/168371498.db2.gz ZYXBXSVPPWDPFG-ZCFIWIBFSA-N 0 3 194.259 2.423 10 0 AEAEHN C[C@@H](N)c1nc2c(s1)CCCCC2 3708713 168371579 /nfs/dbraw/zinc/37/15/79/168371579.db2.gz YDMCERABGNXVGB-SSDOTTSWSA-N 0 3 196.319 2.432 10 0 AEAEHN C[C@@H](N)c1csc([C@@H]2CCCO2)n1 41627869 168371656 /nfs/dbraw/zinc/37/16/56/168371656.db2.gz JEZDZAZCRFPYCO-SVRRBLITSA-N 0 3 198.291 2.014 10 0 AEAEHN C[C@@H](N)c1cnc(-c2ccc[nH]2)s1 11760701 168371800 /nfs/dbraw/zinc/37/18/00/168371800.db2.gz FIPCPEQVIMMMEN-ZCFIWIBFSA-N 0 3 193.275 2.158 10 0 AEAEHN C[C@@H](N)c1ccccc1OCC1CC1 19873037 168371822 /nfs/dbraw/zinc/37/18/22/168371822.db2.gz HGNCAGAAPVJBFG-SECBINFHSA-N 0 3 191.274 2.495 10 0 AEAEHN C[C@@H](N)c1cn2ccc(Cl)cc2n1 74376317 168372114 /nfs/dbraw/zinc/37/21/14/168372114.db2.gz QAGPOXVHZJMOFB-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1cnc2cccc(Cl)n12 74375073 168372126 /nfs/dbraw/zinc/37/21/26/168372126.db2.gz HESNIZVLOXBLMM-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1csc(C2CCC2)n1 83123467 168372339 /nfs/dbraw/zinc/37/23/39/168372339.db2.gz KEVLSSVSESHRSN-ZCFIWIBFSA-N 0 3 182.292 2.430 10 0 AEAEHN C[C@@H](N)c1ccsc1Cl 83269497 168372360 /nfs/dbraw/zinc/37/23/60/168372360.db2.gz HUVHQNLVOGRCGL-SCSAIBSYSA-N 0 3 161.657 2.421 10 0 AEAEHN C[C@@H](N)c1coc(C(F)(F)F)c1 83273034 168372470 /nfs/dbraw/zinc/37/24/70/168372470.db2.gz UWEZCDUKJFDXBW-SCSAIBSYSA-N 0 3 179.141 2.318 10 0 AEAEHN C[C@@H](N)c1cnc2cc(Cl)ccn12 74376514 168372757 /nfs/dbraw/zinc/37/27/57/168372757.db2.gz MCQDAJNSXGPCKF-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1cnc(C2CCC2)s1 83123443 168372781 /nfs/dbraw/zinc/37/27/81/168372781.db2.gz MFWFOJOMXOKINE-ZCFIWIBFSA-N 0 3 182.292 2.430 10 0 AEAEHN C[C@@H](N)c1cn2cc(Cl)ccc2n1 19765393 168372790 /nfs/dbraw/zinc/37/27/90/168372790.db2.gz TWHXJACSCQDSAD-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1nc(-c2ccsc2)c[nH]1 50340119 168372806 /nfs/dbraw/zinc/37/28/06/168372806.db2.gz JXIOQNMEHHTBPK-ZCFIWIBFSA-N 0 3 193.275 2.158 10 0 AEAEHN C[C@@H](N)c1cccnc1C(F)(F)F 83592107 168372814 /nfs/dbraw/zinc/37/28/14/168372814.db2.gz TUMNSQSQHYBWQW-RXMQYKEDSA-N 0 3 190.168 2.120 10 0 AEAEHN C[C@@H](N)c1cnc(C(C)(C)C)s1 54159297 168372817 /nfs/dbraw/zinc/37/28/17/168372817.db2.gz CDHWYUMOPPBSRY-ZCFIWIBFSA-N 0 3 184.308 2.460 10 0 AEAEHN C[C@@H](N)c1csc(C(F)(F)F)n1 83280907 168372831 /nfs/dbraw/zinc/37/28/31/168372831.db2.gz JIVUYRXUELMQSD-GSVOUGTGSA-N 0 3 196.197 2.182 10 0 AEAEHN C[C@@H](N)c1csc(C(C)(C)C)n1 41627840 168372857 /nfs/dbraw/zinc/37/28/57/168372857.db2.gz PGCMUTKLHDYEMU-ZCFIWIBFSA-N 0 3 184.308 2.460 10 0 AEAEHN C[C@@H](N)c1csc([C@H]2CCCO2)n1 41627875 168372892 /nfs/dbraw/zinc/37/28/92/168372892.db2.gz JEZDZAZCRFPYCO-HTRCEHHLSA-N 0 3 198.291 2.014 10 0 AEAEHN C[C@@H](N)c1cnc(-c2ccco2)s1 54160521 168373097 /nfs/dbraw/zinc/37/30/97/168373097.db2.gz RJFHEGLCXFNIGR-ZCFIWIBFSA-N 0 3 194.259 2.423 10 0 AEAEHN C[C@@H](N)c1cnc2ccc(Cl)cn12 31918430 168373123 /nfs/dbraw/zinc/37/31/23/168373123.db2.gz IGUXRIDWTPKWJP-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1cn2c(Cl)cccc2n1 74374919 168373164 /nfs/dbraw/zinc/37/31/64/168373164.db2.gz AKWKBKYXPBNLBO-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1nc(Cl)ccc1Cl 83591889 168373167 /nfs/dbraw/zinc/37/31/67/168373167.db2.gz NKAAOKQCDNAZIK-SCSAIBSYSA-N 0 3 191.061 2.408 10 0 AEAEHN C[C@@H](N)c1cn2cccc(Cl)c2n1 76792827 168373176 /nfs/dbraw/zinc/37/31/76/168373176.db2.gz VBHMVCZTHJTZDJ-ZCFIWIBFSA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@@H](N)c1nccc2cccc(F)c12 82777883 168374688 /nfs/dbraw/zinc/37/46/88/168374688.db2.gz NDRGPQZTUCAMDZ-SSDOTTSWSA-N 0 3 190.221 2.394 10 0 AEAEHN C[C@@H](N)c1nccc2c(F)cccc12 82783845 168374706 /nfs/dbraw/zinc/37/47/06/168374706.db2.gz AAGMSQMIJKOXPS-SSDOTTSWSA-N 0 3 190.221 2.394 10 0 AEAEHN C[C@@H](N)c1nccc2ccccc12 70184773 168374935 /nfs/dbraw/zinc/37/49/35/168374935.db2.gz OQHHJZSNZSTOQC-MRVPVSSYSA-N 0 3 172.231 2.255 10 0 AEAEHN C[C@@H](N)c1sccc1Cl 82707472 168375551 /nfs/dbraw/zinc/37/55/51/168375551.db2.gz XOESVDQIPAYBHC-SCSAIBSYSA-N 0 3 161.657 2.421 10 0 AEAEHN C[C@@H](NC1=NC(C)(C)CS1)C1CC1 35734005 168378867 /nfs/dbraw/zinc/37/88/67/168378867.db2.gz JIHXRNRJFJLNFE-SSDOTTSWSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H](NC1CCCC1)c1cc[nH]n1 37906330 168379041 /nfs/dbraw/zinc/37/90/41/168379041.db2.gz ISFDAXZXPZCCQZ-MRVPVSSYSA-N 0 3 179.267 2.003 10 0 AEAEHN C[C@@H](NC1CC(C)(C)C1)c1cn[nH]c1 306454953 168379146 /nfs/dbraw/zinc/37/91/46/168379146.db2.gz ZTNYGTYCUUMUNV-MRVPVSSYSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@@H](NC1CCCCC1)c1cc[nH]n1 37906316 168379502 /nfs/dbraw/zinc/37/95/02/168379502.db2.gz DQXUGGAEGDIZJI-SECBINFHSA-N 0 3 193.294 2.393 10 0 AEAEHN C[C@@H]([NH2+]C1CC1)c1ccc([O-])c(F)c1 20551057 168379516 /nfs/dbraw/zinc/37/95/16/168379516.db2.gz BDKIUQMNXUYHCR-SSDOTTSWSA-N 0 3 195.237 2.344 10 0 AEAEHN C[C@@H](NCC(C)(C)C)c1cc[nH]n1 40493075 168379712 /nfs/dbraw/zinc/37/97/12/168379712.db2.gz SWPCFMMQPJXPCM-MRVPVSSYSA-N 0 3 181.283 2.106 10 0 AEAEHN C[C@@H](NCC1CCCC1)c1cc[nH]n1 37907092 168380311 /nfs/dbraw/zinc/38/03/11/168380311.db2.gz XCFUMCPRMANMAA-SECBINFHSA-N 0 3 193.294 2.251 10 0 AEAEHN C[C@@H](N[C@@H]1C=CCCC1)c1cn[nH]c1 306353823 168382811 /nfs/dbraw/zinc/38/28/11/168382811.db2.gz BFOBGWLSCVVLCW-MWLCHTKSSA-N 0 3 191.278 2.169 10 0 AEAEHN C[C@@H](NCc1cc[nH]n1)C1CCCC1 54081087 168383679 /nfs/dbraw/zinc/38/36/79/168383679.db2.gz SDTSWJLTHYEHQQ-SECBINFHSA-N 0 3 193.294 2.078 10 0 AEAEHN C[C@@H](NCc1nccs1)C1(C)CC1 41012464 168383813 /nfs/dbraw/zinc/38/38/13/168383813.db2.gz PAPMSASZMKQUBL-MRVPVSSYSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@@H](N[C@@H]1CC12CC2)c1cncs1 335276570 168383851 /nfs/dbraw/zinc/38/38/51/168383851.db2.gz GGDRNOQBQXZQOX-VXNVDRBHSA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@@H](NCc1ccccn1)C1(C)CC1 37467950 168384023 /nfs/dbraw/zinc/38/40/23/168384023.db2.gz KWIYWXRXKFYRCH-SNVBAGLBSA-N 0 3 190.290 2.360 10 0 AEAEHN C[C@@H](N[C@@H]1CC12CC2)c1ccco1 335276953 168384042 /nfs/dbraw/zinc/38/40/42/168384042.db2.gz FGGXQXUHVSMVMP-PSASIEDQSA-N 0 3 177.247 2.483 10 0 AEAEHN C[C@@H](N[C@@H]1CC12CC2)c1ccccn1 335276465 168384360 /nfs/dbraw/zinc/38/43/60/168384360.db2.gz DKHRLLBXIDPPHJ-MWLCHTKSSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@@H](N[C@@H]1CC12CC2)c1cccnc1 335279522 168384390 /nfs/dbraw/zinc/38/43/90/168384390.db2.gz QIDDPCVAAWYKCU-MWLCHTKSSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@@H](N[C@@H]1CC12CC2)c1ccncc1 335276602 168384574 /nfs/dbraw/zinc/38/45/74/168384574.db2.gz GOCNIEFYFGVQFB-MWLCHTKSSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@@H](N[C@H]1CC12CC2)c1ccncc1 335276600 168385517 /nfs/dbraw/zinc/38/55/17/168385517.db2.gz GOCNIEFYFGVQFB-KOLCDFICSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@@H](N[C@H]1CC12CC2)c1ccccn1 335276463 168385621 /nfs/dbraw/zinc/38/56/21/168385621.db2.gz DKHRLLBXIDPPHJ-KOLCDFICSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@@H](N[C@H]1C=CCCC1)c1cn[nH]c1 306353817 168385988 /nfs/dbraw/zinc/38/59/88/168385988.db2.gz BFOBGWLSCVVLCW-KOLCDFICSA-N 0 3 191.278 2.169 10 0 AEAEHN C[C@@H](N[C@H]1CC12CC2)c1cncs1 335276565 168386106 /nfs/dbraw/zinc/38/61/06/168386106.db2.gz GGDRNOQBQXZQOX-APPZFPTMSA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@@H](Nc1ccncc1)C1CC1 35733843 168386193 /nfs/dbraw/zinc/38/61/93/168386193.db2.gz USTLNTVNYZLBQW-MRVPVSSYSA-N 0 3 162.236 2.292 10 0 AEAEHN C[C@@H](Nc1ccncc1)[C@H]1CCCO1 35736194 168386276 /nfs/dbraw/zinc/38/62/76/168386276.db2.gz MNRNHQAIHSAVIM-MWLCHTKSSA-N 0 3 192.262 2.061 10 0 AEAEHN C[C@@H](Nc1ccncc1)[C@@H]1CCCO1 35736192 168386420 /nfs/dbraw/zinc/38/64/20/168386420.db2.gz MNRNHQAIHSAVIM-KOLCDFICSA-N 0 3 192.262 2.061 10 0 AEAEHN C[C@@H](N[C@H]1CC12CC2)c1ccco1 335276954 168386495 /nfs/dbraw/zinc/38/64/95/168386495.db2.gz FGGXQXUHVSMVMP-SCZZXKLOSA-N 0 3 177.247 2.483 10 0 AEAEHN C[C@@H](N[C@H]1CC12CC2)c1cccnc1 335279521 168386550 /nfs/dbraw/zinc/38/65/50/168386550.db2.gz QIDDPCVAAWYKCU-KOLCDFICSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@@H](c1ccccc1)[C@H]1NCCS1 50522955 168407334 /nfs/dbraw/zinc/40/73/34/168407334.db2.gz MEGPXOOEQVDGGB-ONGXEEELSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@@H]1CCC[C@H](NC2=NCCS2)C1 37256580 168428626 /nfs/dbraw/zinc/42/86/26/168428626.db2.gz NFAMEKGAXRHTKP-BDAKNGLRSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H]1CC[C@H]1NCc1cncs1 306435642 168444051 /nfs/dbraw/zinc/44/40/51/168444051.db2.gz LAAHFFLZOQDQNT-VXNVDRBHSA-N 0 3 182.292 2.031 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1cccc(O)c1 335804475 168464851 /nfs/dbraw/zinc/46/48/51/168464851.db2.gz HCQLWMUUNMRUIA-NXEZZACHSA-N 0 3 191.274 2.375 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1cc(F)ccc1F 52272896 168470252 /nfs/dbraw/zinc/47/02/52/168470252.db2.gz QAMUBEITQXGJSJ-HQJQHLMTSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1NCCc2cc(F)cc(F)c21 75641216 168485340 /nfs/dbraw/zinc/48/53/40/168485340.db2.gz NHIPEBANBCDIDE-LURJTMIESA-N 0 3 183.201 2.172 10 0 AEAEHN C[C@H](NC1CCCC1)c1cc[nH]n1 37906329 168563768 /nfs/dbraw/zinc/56/37/68/168563768.db2.gz ISFDAXZXPZCCQZ-QMMMGPOBSA-N 0 3 179.267 2.003 10 0 AEAEHN C[C@H](c1ccccc1)[C@@H]1NCCS1 50522953 168590642 /nfs/dbraw/zinc/59/06/42/168590642.db2.gz MEGPXOOEQVDGGB-MWLCHTKSSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@H]1CSC(NC2CCCC2)=N1 35287158 168648225 /nfs/dbraw/zinc/64/82/25/168648225.db2.gz WDNJXRPLSDUICP-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1ccc(F)c(F)c1 52269612 168655606 /nfs/dbraw/zinc/65/56/06/168655606.db2.gz IERURYMRLSCFGM-CPCISQLKSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1cc(F)ccc1F 52272897 168655759 /nfs/dbraw/zinc/65/57/59/168655759.db2.gz QAMUBEITQXGJSJ-CPCISQLKSA-N 0 3 197.228 2.463 10 0 AEAEHN Cc1cc(Cl)c2c(c1)[C@H](N)[C@@H](C)O2 54349044 168759743 /nfs/dbraw/zinc/75/97/43/168759743.db2.gz JAJYDHXQYPROAQ-HZGVNTEJSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1cc2c(cc1C)[C@@H](N)[C@H](C)O2 43634065 168786358 /nfs/dbraw/zinc/78/63/58/168786358.db2.gz UYDOBNCAYBXXQX-KWQFWETISA-N 0 3 177.247 2.084 10 0 AEAEHN Cc1cc2c(cn1)C(C)(C)NC2(C)C 207298541 168788288 /nfs/dbraw/zinc/78/82/88/168788288.db2.gz NCQZHGUGHADAKD-UHFFFAOYSA-N 0 3 190.290 2.463 10 0 AEAEHN Cc1cc2c(cc1F)CCN[C@@H]2C 75708550 168788659 /nfs/dbraw/zinc/78/86/59/168788659.db2.gz DNINHUPSKLNWDH-MRVPVSSYSA-N 0 3 179.238 2.341 10 0 AEAEHN Cc1ccc(-c2nc(CN)cs2)o1 40999784 168795677 /nfs/dbraw/zinc/79/56/77/168795677.db2.gz BJBUYQKMTNHZNL-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN Cc1ccc(-c2nocc2CN)cc1 71500150 168796332 /nfs/dbraw/zinc/79/63/32/168796332.db2.gz UJJCQBSKRRGPAQ-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC23CC3)o1 335284274 168814730 /nfs/dbraw/zinc/81/47/30/168814730.db2.gz GHMBQEIHLMRQSA-SNVBAGLBSA-N 0 3 177.247 2.230 10 0 AEAEHN Cc1ccc(CN[C@H]2C[C@H]2C)o1 52269951 168815717 /nfs/dbraw/zinc/81/57/17/168815717.db2.gz VEOXREPJPMXEJW-XCBNKYQSSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1ccc(CN[C@H]2C[C@@H]2C)o1 52269945 168816663 /nfs/dbraw/zinc/81/66/63/168816663.db2.gz VEOXREPJPMXEJW-XVKPBYJWSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@@H](N)CO2 35657742 168817284 /nfs/dbraw/zinc/81/72/84/168817284.db2.gz HPOZGOJBZDWGPI-ZETCQYMHSA-N 0 3 183.638 2.041 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@H](N)CO2 35657741 168817364 /nfs/dbraw/zinc/81/73/64/168817364.db2.gz HPOZGOJBZDWGPI-SSDOTTSWSA-N 0 3 183.638 2.041 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@@H](N)[C@H](C)O2 43641943 168817676 /nfs/dbraw/zinc/81/76/76/168817676.db2.gz SBJUEZHPXRWPCG-RCOVLWMOSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1ccc(NC2CC2)c(CN)c1 82634340 168826472 /nfs/dbraw/zinc/82/64/72/168826472.db2.gz JYBMDKYNWOCPHI-UHFFFAOYSA-N 0 3 176.263 2.028 10 0 AEAEHN Cc1ccc(N[C@H]2CCN(C)C2)cc1 61984690 168827983 /nfs/dbraw/zinc/82/79/83/168827983.db2.gz IMHFTCQWLFRROM-LBPRGKRZSA-N 0 3 190.290 2.111 10 0 AEAEHN Cc1ccc([C@@H](N)[C@@H]2CCCOC2)o1 62234583 168836349 /nfs/dbraw/zinc/83/63/49/168836349.db2.gz FPNZALHYGADZSO-KOLCDFICSA-N 0 3 195.262 2.014 10 0 AEAEHN Cc1ccc([C@H](N)COC(C)C)cc1 19403537 168841879 /nfs/dbraw/zinc/84/18/79/168841879.db2.gz TYDNNKYYCOQFSK-GFCCVEGCSA-N 0 3 193.290 2.420 10 0 AEAEHN Cc1ccc2c(N)cc(C)nc2c1 83963546 168847230 /nfs/dbraw/zinc/84/72/30/168847230.db2.gz MVLNKHHUEHTJAY-UHFFFAOYSA-N 0 3 172.231 2.434 10 0 AEAEHN Cc1ccc2c(c1)C=C[C@H]2N 57935276 168848742 /nfs/dbraw/zinc/84/87/42/168848742.db2.gz CMZMDQAALFACNW-SNVBAGLBSA-N 0 3 145.205 2.022 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](N)C1(CC1)CO2 71489413 168850718 /nfs/dbraw/zinc/85/07/18/168850718.db2.gz YPCXDLRCWRUKBZ-LLVKDONJSA-N 0 3 189.258 2.167 10 0 AEAEHN Cc1cccc(CN(C)C)c1 6071568 168865143 /nfs/dbraw/zinc/86/51/43/168865143.db2.gz VCBUGWOFLYITCB-UHFFFAOYSA-N 0 3 149.237 2.057 10 0 AEAEHN Cc1cccc(CN2[C@@H](C)C[C@@H]2C)n1 335824947 168865841 /nfs/dbraw/zinc/86/58/41/168865841.db2.gz UIMAURSOANFYBD-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cccc2c1OC[C@@H]2NC(C)C 35652690 168879236 /nfs/dbraw/zinc/87/92/36/168879236.db2.gz BOXKDHUIFSBNBL-NSHDSACASA-N 0 3 191.274 2.427 10 0 AEAEHN Cc1cccc2c1OC[C@H]2NC(C)C 35652691 168880579 /nfs/dbraw/zinc/88/05/79/168880579.db2.gz BOXKDHUIFSBNBL-LLVKDONJSA-N 0 3 191.274 2.427 10 0 AEAEHN Cc1cccnc1CN1[C@@H](C)C[C@@H]1C 336055728 168886634 /nfs/dbraw/zinc/88/66/34/168886634.db2.gz SEKINPSFNNYPHX-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccoc1CN[C@H]1C[C@@H]1C 126763301 168895746 /nfs/dbraw/zinc/89/57/46/168895746.db2.gz VZQZJXKIFBAHPD-IUCAKERBSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1csc([C@@](C)(N)C(C)C)n1 41059729 168922595 /nfs/dbraw/zinc/92/25/95/168922595.db2.gz FEVYAHOALNFHKE-VIFPVBQESA-N 0 3 184.308 2.281 10 0 AEAEHN Cc1nc(CC(C)C)sc1CN 52329938 168936744 /nfs/dbraw/zinc/93/67/44/168936744.db2.gz YSKQFKJMQRSTFX-UHFFFAOYSA-N 0 3 184.308 2.109 10 0 AEAEHN Cc1ncccc1CN1[C@H](C)C[C@H]1C 336559093 168971262 /nfs/dbraw/zinc/97/12/62/168971262.db2.gz KIIZTBRNCQKMDH-NXEZZACHSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1noc(C)c1CN[C@H]1CC[C@H]1C 307551631 168998241 /nfs/dbraw/zinc/99/82/41/168998241.db2.gz TUBKKWBSRKTSGT-HQJQHLMTSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1nocc1CN1C[C@@H](C)[C@H](C)C1 335203169 169004151 /nfs/dbraw/zinc/00/41/51/169004151.db2.gz ONWAAISXABSFTD-RKDXNWHRSA-N 0 3 194.278 2.071 10 0 AEAEHN Cc1nocc1CN[C@H]1CC=CCC1 306977547 169004227 /nfs/dbraw/zinc/00/42/27/169004227.db2.gz ZLQOMHQVJXXBOO-NSHDSACASA-N 0 3 192.262 2.181 10 0 AEAEHN Cc1nocc1CN1CCCC1(C)C 336587046 169004277 /nfs/dbraw/zinc/00/42/77/169004277.db2.gz CUAJIEOOYFZHSA-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1nocc1CNC1(C)CCCC1 306735703 169004298 /nfs/dbraw/zinc/00/42/98/169004298.db2.gz WOQVSSRMMUHJQE-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN Cc1nocc1CN1CC[C@H](C)[C@H]1C 335202916 169004311 /nfs/dbraw/zinc/00/43/11/169004311.db2.gz STOYPRQLUJUQQF-WCBMZHEXSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN1CC[C@@H](C)[C@@H]1C 335202915 169004675 /nfs/dbraw/zinc/00/46/75/169004675.db2.gz STOYPRQLUJUQQF-SCZZXKLOSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN[C@@H]1CC=CCC1 306977545 169004739 /nfs/dbraw/zinc/00/47/39/169004739.db2.gz ZLQOMHQVJXXBOO-LLVKDONJSA-N 0 3 192.262 2.181 10 0 AEAEHN Cc1nocc1CN1C[C@H](C)[C@@H](C)C1 335203168 169004752 /nfs/dbraw/zinc/00/47/52/169004752.db2.gz ONWAAISXABSFTD-IUCAKERBSA-N 0 3 194.278 2.071 10 0 AEAEHN Cc1nocc1CN1C[C@H](C)C[C@@H]1C 335343142 169004782 /nfs/dbraw/zinc/00/47/82/169004782.db2.gz OIPIQLUOCHAKCZ-BDAKNGLRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN[C@@H]1CCC1(C)C 306190678 169004862 /nfs/dbraw/zinc/00/48/62/169004862.db2.gz FIFXWWZVRHVJPI-SNVBAGLBSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nocc1CN1CC[C@@H]1C(C)C 334479220 169004877 /nfs/dbraw/zinc/00/48/77/169004877.db2.gz RREKGKTYJJVBKJ-LLVKDONJSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN1[C@H](C)CC[C@H]1C 336576605 169004951 /nfs/dbraw/zinc/00/49/51/169004951.db2.gz VKGRNEPENRISDD-RKDXNWHRSA-N 0 3 194.278 2.356 10 0 AEAEHN Cc1nocc1CN1CC[C@@H](C)[C@H]1C 335202914 169005028 /nfs/dbraw/zinc/00/50/28/169005028.db2.gz STOYPRQLUJUQQF-PSASIEDQSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN1C[C@@H](C)[C@@H](C)C1 335203167 169005084 /nfs/dbraw/zinc/00/50/84/169005084.db2.gz ONWAAISXABSFTD-DTORHVGOSA-N 0 3 194.278 2.071 10 0 AEAEHN Cc1nocc1CN(C)C1CCCC1 335814978 169005138 /nfs/dbraw/zinc/00/51/38/169005138.db2.gz ZJTXAYBVBDLILQ-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1nocc1CN1[C@@H](C)CC[C@@H]1C 336576604 169005248 /nfs/dbraw/zinc/00/52/48/169005248.db2.gz VKGRNEPENRISDD-IUCAKERBSA-N 0 3 194.278 2.356 10 0 AEAEHN Cc1nocc1CN1CCC(C)CC1 335799452 169005340 /nfs/dbraw/zinc/00/53/40/169005340.db2.gz OQAZLRLNYRPRIN-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1nocc1CN1CC[C@H]1C(C)C 334479223 169005358 /nfs/dbraw/zinc/00/53/58/169005358.db2.gz RREKGKTYJJVBKJ-NSHDSACASA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN1[C@@H](C)CC[C@H]1C 336576603 169005363 /nfs/dbraw/zinc/00/53/63/169005363.db2.gz VKGRNEPENRISDD-DTORHVGOSA-N 0 3 194.278 2.356 10 0 AEAEHN Cc1nocc1CN1CC[C@H](C)[C@@H]1C 335202917 169005424 /nfs/dbraw/zinc/00/54/24/169005424.db2.gz STOYPRQLUJUQQF-WPRPVWTQSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN1CCCCCC1 335815272 169005453 /nfs/dbraw/zinc/00/54/53/169005453.db2.gz YQNJJEDLEXLHJR-UHFFFAOYSA-N 0 3 194.278 2.359 10 0 AEAEHN Cc1nocc1CN1C[C@H](C)C[C@H]1C 335343145 169005603 /nfs/dbraw/zinc/00/56/03/169005603.db2.gz OIPIQLUOCHAKCZ-RKDXNWHRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN1C[C@@H](C)C[C@H]1C 335343143 169005642 /nfs/dbraw/zinc/00/56/42/169005642.db2.gz OIPIQLUOCHAKCZ-DTWKUNHWSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nocc1CN1CCC[C@@H](C)C1 335941258 169005886 /nfs/dbraw/zinc/00/58/86/169005886.db2.gz IKKHDQIBHKWGKX-SECBINFHSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1nocc1CNC1CCCC1 307237163 169005987 /nfs/dbraw/zinc/00/59/87/169005987.db2.gz GRBGOVOEPQLGJZ-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN Cc1nocc1CN[C@H]1CCC1(C)C 306190677 169006020 /nfs/dbraw/zinc/00/60/20/169006020.db2.gz FIFXWWZVRHVJPI-JTQLQIEISA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nocc1CN1C[C@@H](C)C[C@@H]1C 335343144 169006093 /nfs/dbraw/zinc/00/60/93/169006093.db2.gz OIPIQLUOCHAKCZ-IUCAKERBSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1oc(C)c([C@H](C)N)c1C 77088719 169007616 /nfs/dbraw/zinc/00/76/16/169007616.db2.gz ISCKVFYCTIVUKJ-LURJTMIESA-N 0 3 153.225 2.225 10 0 AEAEHN Cc1oc(C)c([C@@H](C)N)c1C 77088718 169007862 /nfs/dbraw/zinc/00/78/62/169007862.db2.gz ISCKVFYCTIVUKJ-ZCFIWIBFSA-N 0 3 153.225 2.225 10 0 AEAEHN Cc1oc(C)c(CNC2CC2)c1C 77088623 169008098 /nfs/dbraw/zinc/00/80/98/169008098.db2.gz YLGBXGCFPHVQTE-UHFFFAOYSA-N 0 3 179.263 2.457 10 0 AEAEHN Cc1oc(COC(C)(C)C)cc1CN 52629640 169008886 /nfs/dbraw/zinc/00/88/86/169008886.db2.gz IGAQHSZDSQQEBZ-UHFFFAOYSA-N 0 3 197.278 2.362 10 0 AEAEHN Cc1oc(COC2CCC2)cc1CN 52595410 169009772 /nfs/dbraw/zinc/00/97/72/169009772.db2.gz ASWOTQLUYMTHOK-UHFFFAOYSA-N 0 3 195.262 2.116 10 0 AEAEHN Cc1oc2c(C[NH3+])ccc([O-])c2c1C 82889365 169009851 /nfs/dbraw/zinc/00/98/51/169009851.db2.gz BKYYFNNNSKFTOZ-UHFFFAOYSA-N 0 3 191.230 2.214 10 0 AEAEHN Cc1occc1CN[C@@H]1CC12CC2 335281405 169010497 /nfs/dbraw/zinc/01/04/97/169010497.db2.gz NNDOYKFWXFYSTK-SNVBAGLBSA-N 0 3 177.247 2.230 10 0 AEAEHN Cc1occc1CN[C@H]1C[C@@H]1C 306405133 169010693 /nfs/dbraw/zinc/01/06/93/169010693.db2.gz JNDDAYNRLHONIV-XVKPBYJWSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1occc1CN[C@@H]1C[C@@H]1C 306405130 169010732 /nfs/dbraw/zinc/01/07/32/169010732.db2.gz JNDDAYNRLHONIV-OIBJUYFYSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1occc1CN1CC(C)C1 335394324 169010863 /nfs/dbraw/zinc/01/08/63/169010863.db2.gz XPTRSRALFGJQLJ-UHFFFAOYSA-N 0 3 165.236 2.040 10 0 AEAEHN Cc1occc1CN[C@@H]1CC[C@@H]1C 307450789 169010990 /nfs/dbraw/zinc/01/09/90/169010990.db2.gz RSQHBIRHXMYQOY-GZMMTYOYSA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1occc1CN[C@H]1C[C@H]1C 306405132 169011009 /nfs/dbraw/zinc/01/10/09/169011009.db2.gz JNDDAYNRLHONIV-XCBNKYQSSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1occc1CN[C@H]1CC[C@@H]1C 307450791 169011049 /nfs/dbraw/zinc/01/10/49/169011049.db2.gz RSQHBIRHXMYQOY-KWQFWETISA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1occc1CN[C@H]1CC[C@H]1C 307450790 169011067 /nfs/dbraw/zinc/01/10/67/169011067.db2.gz RSQHBIRHXMYQOY-KCJUWKMLSA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1occc1CN[C@@H]1CC[C@H]1C 307450792 169011310 /nfs/dbraw/zinc/01/13/10/169011310.db2.gz RSQHBIRHXMYQOY-LDYMZIIASA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1occc1CN[C@@H]1C[C@H]1C 306405129 169011851 /nfs/dbraw/zinc/01/18/51/169011851.db2.gz JNDDAYNRLHONIV-GMSGAONNSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1occc1CN[C@H]1CC12CC2 335281396 169012008 /nfs/dbraw/zinc/01/20/08/169012008.db2.gz NNDOYKFWXFYSTK-JTQLQIEISA-N 0 3 177.247 2.230 10 0 AEAEHN Cc1oncc1CN1CC[C@H](C)[C@H]1C 336180303 169012465 /nfs/dbraw/zinc/01/24/65/169012465.db2.gz HNJYFNJNLMYHKF-DTWKUNHWSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1oncc1CN1CC[C@H](C)[C@@H]1C 336180304 169012704 /nfs/dbraw/zinc/01/27/04/169012704.db2.gz HNJYFNJNLMYHKF-IUCAKERBSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1onc(-c2cccs2)c1CN 20221878 169013189 /nfs/dbraw/zinc/01/31/89/169013189.db2.gz HYRIERABXJLRLB-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN Cc1oncc1CN1CC[C@@H](C)[C@@H]1C 336180302 169013421 /nfs/dbraw/zinc/01/34/21/169013421.db2.gz HNJYFNJNLMYHKF-BDAKNGLRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1oncc1CN1CC[C@@H](C)[C@H]1C 336180305 169013584 /nfs/dbraw/zinc/01/35/84/169013584.db2.gz HNJYFNJNLMYHKF-RKDXNWHRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1onc(C2CCCCC2)c1CN 75515637 169013612 /nfs/dbraw/zinc/01/36/12/169013612.db2.gz MRRQJJIULSZERB-UHFFFAOYSA-N 0 3 194.278 2.489 10 0 AEAEHN Cc1sc([C@@H](C)N)nc1C1CC1 300826748 169014526 /nfs/dbraw/zinc/01/45/26/169014526.db2.gz ZZGDMAQEVOMEOD-RXMQYKEDSA-N 0 3 182.292 2.349 10 0 AEAEHN Cc1sc2nc([C@@H](C)N)cn2c1C 11566941 169014782 /nfs/dbraw/zinc/01/47/82/169014782.db2.gz JFRVXSCYBSJZNY-RXMQYKEDSA-N 0 3 195.291 2.032 10 0 AEAEHN Cc1sc2nc([C@H](C)N)cn2c1C 11566942 169014907 /nfs/dbraw/zinc/01/49/07/169014907.db2.gz JFRVXSCYBSJZNY-YFKPBYRVSA-N 0 3 195.291 2.032 10 0 AEAEHN Clc1cccn1Nc1ccncc1 13745990 169024351 /nfs/dbraw/zinc/02/43/51/169024351.db2.gz KCMCMBUSJHQMIC-UHFFFAOYSA-N 0 3 193.637 2.412 10 0 AEAEHN Clc1cccnc1[C@H]1CCCN1 3732508 169024703 /nfs/dbraw/zinc/02/47/03/169024703.db2.gz ONRDOXZIWWKPHY-MRVPVSSYSA-N 0 3 182.654 2.160 10 0 AEAEHN Clc1cccnc1[C@@H]1CCCN1 3732509 169025418 /nfs/dbraw/zinc/02/54/18/169025418.db2.gz ONRDOXZIWWKPHY-QMMMGPOBSA-N 0 3 182.654 2.160 10 0 AEAEHN Cn1c(CN)cc2c(Cl)cccc21 83279879 169032119 /nfs/dbraw/zinc/03/21/19/169032119.db2.gz UUPJXPBYLQLXGF-UHFFFAOYSA-N 0 3 194.665 2.290 10 0 AEAEHN Cn1ccc(CN2CC[C@@H]2C2CC2)c1 336216326 169044728 /nfs/dbraw/zinc/04/47/28/169044728.db2.gz SMRMMIBJYUBZEZ-GFCCVEGCSA-N 0 3 190.290 2.009 10 0 AEAEHN Cn1ccc(CN2CC[C@H]2C2CC2)c1 336216327 169044865 /nfs/dbraw/zinc/04/48/65/169044865.db2.gz SMRMMIBJYUBZEZ-LBPRGKRZSA-N 0 3 190.290 2.009 10 0 AEAEHN Cn1ccc2cc(Cl)c(CN)cc21 76636285 169047586 /nfs/dbraw/zinc/04/75/86/169047586.db2.gz IHMGHFARSGLMLP-UHFFFAOYSA-N 0 3 194.665 2.290 10 0 AEAEHN Cn1cccc1[C@H](N)C(C)(C)C 39082274 169049031 /nfs/dbraw/zinc/04/90/31/169049031.db2.gz XMHBCPGKNPERMH-VIFPVBQESA-N 0 3 166.268 2.071 10 0 AEAEHN Cn1cccc1[C@@H](N)C(C)(C)C 39082272 169049333 /nfs/dbraw/zinc/04/93/33/169049333.db2.gz XMHBCPGKNPERMH-SECBINFHSA-N 0 3 166.268 2.071 10 0 AEAEHN Cn1cccc1CN1CC[C@H]1C1CC1 336215572 169049706 /nfs/dbraw/zinc/04/97/06/169049706.db2.gz XXOGFEDLVCLFEX-LBPRGKRZSA-N 0 3 190.290 2.009 10 0 AEAEHN Cn1cccc1CN1CC[C@@H]1C1CC1 336215571 169050060 /nfs/dbraw/zinc/05/00/60/169050060.db2.gz XXOGFEDLVCLFEX-GFCCVEGCSA-N 0 3 190.290 2.009 10 0 AEAEHN Cn1ccnc1NC1CCCCC1 50605576 169050785 /nfs/dbraw/zinc/05/07/85/169050785.db2.gz AGOFUCXQYRXIJT-UHFFFAOYSA-N 0 3 179.267 2.165 10 0 AEAEHN Cn1ccnc1NCC1CCCC1 50605801 169052106 /nfs/dbraw/zinc/05/21/06/169052106.db2.gz FBFLGKYIFDHMLM-UHFFFAOYSA-N 0 3 179.267 2.022 10 0 AEAEHN Cn1ccnc1NCC1CCCCC1 50605804 169052142 /nfs/dbraw/zinc/05/21/42/169052142.db2.gz YWQNWWFNUISEDY-UHFFFAOYSA-N 0 3 193.294 2.412 10 0 AEAEHN Cn1ccnc1NC1(C)CCCC1 50606276 169052890 /nfs/dbraw/zinc/05/28/90/169052890.db2.gz QETSSZNHBXWIHC-UHFFFAOYSA-N 0 3 179.267 2.165 10 0 AEAEHN Cn1ccnc1[C@H](N)C1CCCCC1 11848556 169053679 /nfs/dbraw/zinc/05/36/79/169053679.db2.gz PTEKKAKFAFBTAP-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN Cn1ccnc1NCc1cccs1 50605784 169053767 /nfs/dbraw/zinc/05/37/67/169053767.db2.gz ZIUPKLYOINBZED-UHFFFAOYSA-N 0 3 193.275 2.094 10 0 AEAEHN Cn1ccnc1[C@@H](N)C1CCCCC1 11848555 169054006 /nfs/dbraw/zinc/05/40/06/169054006.db2.gz PTEKKAKFAFBTAP-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN FC(F)(F)CCN1C[C@@H]2CCC[C@@H]21 307723231 169070846 /nfs/dbraw/zinc/07/08/46/169070846.db2.gz UMEMINROXKKTLM-YUMQZZPRSA-N 0 3 193.212 2.423 10 0 AEAEHN FC(F)(F)CCN1C[C@H]2CCC[C@@H]21 307723230 169070938 /nfs/dbraw/zinc/07/09/38/169070938.db2.gz UMEMINROXKKTLM-SFYZADRCSA-N 0 3 193.212 2.423 10 0 AEAEHN FC(F)(F)CCN1C[C@@H]2CCC[C@H]21 307723229 169071086 /nfs/dbraw/zinc/07/10/86/169071086.db2.gz UMEMINROXKKTLM-JGVFFNPUSA-N 0 3 193.212 2.423 10 0 AEAEHN FC(F)(F)CCN1C[C@H]2CCC[C@H]21 307723228 169071837 /nfs/dbraw/zinc/07/18/37/169071837.db2.gz UMEMINROXKKTLM-HTQZYQBOSA-N 0 3 193.212 2.423 10 0 AEAEHN FC(F)(F)c1cc2c(s1)CNC2 82389946 169072439 /nfs/dbraw/zinc/07/24/39/169072439.db2.gz SCSLFCMKLQNYPR-UHFFFAOYSA-N 0 3 193.193 2.370 10 0 AEAEHN FC(F)[C@@H]1CNCc2ccsc21 91305459 169074068 /nfs/dbraw/zinc/07/40/68/169074068.db2.gz MBFUZFGULIDXIF-ZCFIWIBFSA-N 0 3 189.230 2.200 10 0 AEAEHN FC(F)[C@H]1CNCc2ccsc21 91305455 169074502 /nfs/dbraw/zinc/07/45/02/169074502.db2.gz MBFUZFGULIDXIF-LURJTMIESA-N 0 3 189.230 2.200 10 0 AEAEHN FC1(F)CCNCc2ccsc21 91305452 169075703 /nfs/dbraw/zinc/07/57/03/169075703.db2.gz XWMYCIKLBXWVTM-UHFFFAOYSA-N 0 3 189.230 2.333 10 0 AEAEHN FCC[C@@H]1CNCc2ccsc21 91305508 169077971 /nfs/dbraw/zinc/07/79/71/169077971.db2.gz LFNAYRYDGRLADK-SSDOTTSWSA-N 0 3 185.267 2.295 10 0 AEAEHN FCCCN1CCc2sccc2C1 306188255 169078036 /nfs/dbraw/zinc/07/80/36/169078036.db2.gz AOZDUDCZOHFBSI-UHFFFAOYSA-N 0 3 199.294 2.466 10 0 AEAEHN FCCCN1CCc2ccsc2C1 306509622 169078588 /nfs/dbraw/zinc/07/85/88/169078588.db2.gz CBZALDASVOUJAF-UHFFFAOYSA-N 0 3 199.294 2.466 10 0 AEAEHN FCC[C@H]1CNCc2ccsc21 91305505 169079182 /nfs/dbraw/zinc/07/91/82/169079182.db2.gz LFNAYRYDGRLADK-ZETCQYMHSA-N 0 3 185.267 2.295 10 0 AEAEHN F[C@H]1CNCC[C@H]1Cc1ccccc1 96941613 169080339 /nfs/dbraw/zinc/08/03/39/169080339.db2.gz XIFVUJPPJSPIJH-RYUDHWBXSA-N 0 3 193.265 2.177 10 0 AEAEHN F[C@H]1CCNCc2ccsc21 91305640 169080735 /nfs/dbraw/zinc/08/07/35/169080735.db2.gz MLJFSJFTDDGILB-ZETCQYMHSA-N 0 3 171.240 2.252 10 0 AEAEHN Fc1ccc(CN[C@H]2CC23CC3)cc1 335284118 169082825 /nfs/dbraw/zinc/08/28/25/169082825.db2.gz CIZUPIWUDKJAQL-NSHDSACASA-N 0 3 191.249 2.468 10 0 AEAEHN Fc1ccc(CN[C@@H]2CC23CC3)cc1 335284117 169083003 /nfs/dbraw/zinc/08/30/03/169083003.db2.gz CIZUPIWUDKJAQL-LLVKDONJSA-N 0 3 191.249 2.468 10 0 AEAEHN Fc1cccc(CN[C@@H]2CC23CC3)c1 335285441 169086176 /nfs/dbraw/zinc/08/61/76/169086176.db2.gz WODCAPKOEFIVBZ-LLVKDONJSA-N 0 3 191.249 2.468 10 0 AEAEHN Fc1cccc(CCN2CCCC2)c1 84758063 169086577 /nfs/dbraw/zinc/08/65/77/169086577.db2.gz PXBKRGXXBYALIH-UHFFFAOYSA-N 0 3 193.265 2.464 10 0 AEAEHN Fc1cccc(CN[C@H]2CC23CC3)c1 335285442 169086783 /nfs/dbraw/zinc/08/67/83/169086783.db2.gz WODCAPKOEFIVBZ-NSHDSACASA-N 0 3 191.249 2.468 10 0 AEAEHN Fc1cccc2c1CNCCS2 18485 169087371 /nfs/dbraw/zinc/08/73/71/169087371.db2.gz YAZUSGHZMAPMQE-UHFFFAOYSA-N 0 3 183.251 2.021 10 0 AEAEHN Fc1ccccc1CN[C@@H]1CC12CC2 335284967 169087403 /nfs/dbraw/zinc/08/74/03/169087403.db2.gz PIFDGAMGARBCOF-LLVKDONJSA-N 0 3 191.249 2.468 10 0 AEAEHN Fc1cccc2c1[C@@H](C1CC1)NCC2 83729551 169087547 /nfs/dbraw/zinc/08/75/47/169087547.db2.gz WWJYXKRQIGAAGZ-GFCCVEGCSA-N 0 3 191.249 2.423 10 0 AEAEHN Fc1cccc2c1OC[C@H]2NC1CC1 35652601 169087802 /nfs/dbraw/zinc/08/78/02/169087802.db2.gz PJLAOZJLRDDHHP-SNVBAGLBSA-N 0 3 193.221 2.011 10 0 AEAEHN Fc1cccc2c1[C@H](C1CC1)NCC2 83729550 169087869 /nfs/dbraw/zinc/08/78/69/169087869.db2.gz WWJYXKRQIGAAGZ-LBPRGKRZSA-N 0 3 191.249 2.423 10 0 AEAEHN Fc1cccc2c1OC[C@@H]2NC1CC1 35652600 169088025 /nfs/dbraw/zinc/08/80/25/169088025.db2.gz PJLAOZJLRDDHHP-JTQLQIEISA-N 0 3 193.221 2.011 10 0 AEAEHN Fc1ccccc1CN[C@H]1CC12CC2 335284968 169088222 /nfs/dbraw/zinc/08/82/22/169088222.db2.gz PIFDGAMGARBCOF-NSHDSACASA-N 0 3 191.249 2.468 10 0 AEAEHN Fc1cccnc1[C@H]1CCCCCN1 75868704 169089145 /nfs/dbraw/zinc/08/91/45/169089145.db2.gz IKKKJRURUHMUER-SNVBAGLBSA-N 0 3 194.253 2.425 10 0 AEAEHN Fc1ccccc1[C@H]1CNCCS1 41209117 169089240 /nfs/dbraw/zinc/08/92/40/169089240.db2.gz QIZXFSNVHAPHKE-SNVBAGLBSA-N 0 3 197.278 2.203 10 0 AEAEHN Fc1cncc([C@H]2CCCCN2)c1 34773449 169089250 /nfs/dbraw/zinc/08/92/50/169089250.db2.gz OOAWOFFXGYIRGI-SNVBAGLBSA-N 0 3 180.226 2.035 10 0 AEAEHN Fc1ccccc1[C@@H]1CNCCS1 41209115 169089372 /nfs/dbraw/zinc/08/93/72/169089372.db2.gz QIZXFSNVHAPHKE-JTQLQIEISA-N 0 3 197.278 2.203 10 0 AEAEHN Fc1cccnc1[C@@H]1CCCCCN1 75868703 169089600 /nfs/dbraw/zinc/08/96/00/169089600.db2.gz IKKKJRURUHMUER-JTQLQIEISA-N 0 3 194.253 2.425 10 0 AEAEHN Fc1cncc([C@@H]2CCCCN2)c1 34773447 169089921 /nfs/dbraw/zinc/08/99/21/169089921.db2.gz OOAWOFFXGYIRGI-JTQLQIEISA-N 0 3 180.226 2.035 10 0 AEAEHN Fc1ncccc1[C@@H]1CCCCCN1 3735178 169090069 /nfs/dbraw/zinc/09/00/69/169090069.db2.gz GULALYKZBDDKOK-JTQLQIEISA-N 0 3 194.253 2.425 10 0 AEAEHN Fc1ncccc1[C@@H]1CCCCN1 3734820 169090146 /nfs/dbraw/zinc/09/01/46/169090146.db2.gz SHAGEWYKCJZJIN-VIFPVBQESA-N 0 3 180.226 2.035 10 0 AEAEHN Fc1ncccc1[C@H]1CCCCN1 3734819 169090307 /nfs/dbraw/zinc/09/03/07/169090307.db2.gz SHAGEWYKCJZJIN-SECBINFHSA-N 0 3 180.226 2.035 10 0 AEAEHN Fc1ncccc1[C@H]1CCCCCN1 3735177 169090438 /nfs/dbraw/zinc/09/04/38/169090438.db2.gz GULALYKZBDDKOK-SNVBAGLBSA-N 0 3 194.253 2.425 10 0 AEAEHN Cc1nc(C(C)(C)C)sc1C(=N)N 82420615 168932241 /nfs/dbraw/zinc/93/22/41/168932241.db2.gz VXHDQSQVKWVKFD-UHFFFAOYSA-N 0 3 197.307 2.033 10 0 AEAEHN N=C(N)c1ccc(C(F)(F)F)s1 84298129 169141116 /nfs/dbraw/zinc/14/11/16/169141116.db2.gz XKVMMOZZCWGHSX-UHFFFAOYSA-N 0 3 194.181 2.051 10 0 AEAEHN NC1=NC2(CCCCC2)CCS1 20160570 169144620 /nfs/dbraw/zinc/14/46/20/169144620.db2.gz IWIFZUHSKZFYCG-UHFFFAOYSA-N 0 3 184.308 2.351 10 0 AEAEHN N=CNc1cccc(-c2c[nH]cn2)c1 27302588 169144925 /nfs/dbraw/zinc/14/49/25/169144925.db2.gz XZPZYESHRJBWPP-UHFFFAOYSA-N 0 3 186.218 2.096 10 0 AEAEHN N=CNc1cccc(Cl)c1 27319753 169145309 /nfs/dbraw/zinc/14/53/09/169145309.db2.gz ZTQKNOMMVDSKDZ-UHFFFAOYSA-N 0 3 154.600 2.359 10 0 AEAEHN N=CNc1ccc(-c2c[nH]cn2)cc1 27301990 169145433 /nfs/dbraw/zinc/14/54/33/169145433.db2.gz GKEZRTUMUJKHFA-UHFFFAOYSA-N 0 3 186.218 2.096 10 0 AEAEHN N=C1CCCN1c1cccc(F)c1 20443767 169145545 /nfs/dbraw/zinc/14/55/45/169145545.db2.gz UMOZOKUVYSSKMD-UHFFFAOYSA-N 0 3 178.210 2.403 10 0 AEAEHN NC1(c2csc(C3CC3)n2)CCC1 83279859 169170048 /nfs/dbraw/zinc/17/00/48/169170048.db2.gz VKRNLXVOSPLNDE-UHFFFAOYSA-N 0 3 194.303 2.358 10 0 AEAEHN NC[C@@H](OC1CCCC1)c1ccco1 43336541 169204403 /nfs/dbraw/zinc/20/44/03/169204403.db2.gz YZMQACXISPSXAJ-LLVKDONJSA-N 0 3 195.262 2.239 10 0 AEAEHN NC[C@@H](OCC1CC1)c1ccsc1 43125174 169206770 /nfs/dbraw/zinc/20/67/70/169206770.db2.gz MJULPBNWIJIVHJ-SNVBAGLBSA-N 0 3 197.303 2.175 10 0 AEAEHN NC[C@@H](OCC1CC1)c1cccs1 43110261 169206835 /nfs/dbraw/zinc/20/68/35/169206835.db2.gz UAVOHIGNPHYPLL-SECBINFHSA-N 0 3 197.303 2.175 10 0 AEAEHN NC[C@H](OCC1CC1)c1cccs1 43110264 169213716 /nfs/dbraw/zinc/21/37/16/169213716.db2.gz UAVOHIGNPHYPLL-VIFPVBQESA-N 0 3 197.303 2.175 10 0 AEAEHN NC[C@H](OCC1CC1)c1ccsc1 43125175 169213993 /nfs/dbraw/zinc/21/39/93/169213993.db2.gz MJULPBNWIJIVHJ-JTQLQIEISA-N 0 3 197.303 2.175 10 0 AEAEHN NCc1c(F)cccc1OCC1CC1 36307198 169218464 /nfs/dbraw/zinc/21/84/64/169218464.db2.gz VXLDWTWKVOXUIK-UHFFFAOYSA-N 0 3 195.237 2.073 10 0 AEAEHN NCc1c(F)ccc2ccccc12 166977149 169218599 /nfs/dbraw/zinc/21/85/99/169218599.db2.gz JFLKABWZHZFLPY-UHFFFAOYSA-N 0 3 175.206 2.438 10 0 AEAEHN NCc1c(Cl)cccc1NC1CC1 52904151 169218749 /nfs/dbraw/zinc/21/87/49/169218749.db2.gz MHRKFSJPTIEHIA-UHFFFAOYSA-N 0 3 196.681 2.373 10 0 AEAEHN NCc1c(Cl)cccc1OC1CC1 95737897 169219381 /nfs/dbraw/zinc/21/93/81/169219381.db2.gz UNMSJHDNLBKYCE-UHFFFAOYSA-N 0 3 197.665 2.340 10 0 AEAEHN NCc1cc(-n2cccc2)ccc1F 51636978 169219701 /nfs/dbraw/zinc/21/97/01/169219701.db2.gz INOWPXUEWRGYQR-UHFFFAOYSA-N 0 3 190.221 2.075 10 0 AEAEHN NCc1cc2cc(Cl)ncc2s1 82911676 169219930 /nfs/dbraw/zinc/21/99/30/169219930.db2.gz MEBYGDXDTCEXCZ-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN NCc1cc2cc(O)ccc2s1 82871545 169219938 /nfs/dbraw/zinc/21/99/38/169219938.db2.gz XLUFMRFJMNBPSQ-UHFFFAOYSA-N 0 3 179.244 2.066 10 0 AEAEHN NCc1cc(F)ccc1OCC1CC1 37236992 169220014 /nfs/dbraw/zinc/22/00/14/169220014.db2.gz CNYAGJMJXRGIFA-UHFFFAOYSA-N 0 3 195.237 2.073 10 0 AEAEHN NCc1cc2ccc(F)cc2s1 82873634 169220200 /nfs/dbraw/zinc/22/02/00/169220200.db2.gz GIXAZWNBYGLHIW-UHFFFAOYSA-N 0 3 181.235 2.499 10 0 AEAEHN NCc1cc2c(s1)CCCCC2 19835249 169220259 /nfs/dbraw/zinc/22/02/59/169220259.db2.gz VWJIEAGHFCHGJA-UHFFFAOYSA-N 0 3 181.304 2.476 10 0 AEAEHN NCc1cc(Cl)ccc1NC1CC1 52857799 169220281 /nfs/dbraw/zinc/22/02/81/169220281.db2.gz DMIRSMOLKKKJKB-UHFFFAOYSA-N 0 3 196.681 2.373 10 0 AEAEHN [NH3+]Cc1cc([O-])c2ccsc2c1 82871542 169220318 /nfs/dbraw/zinc/22/03/18/169220318.db2.gz FKYWSIXDGMLCSZ-UHFFFAOYSA-N 0 3 179.244 2.066 10 0 AEAEHN NCc1cc2c(Cl)cncc2s1 82911678 169220545 /nfs/dbraw/zinc/22/05/45/169220545.db2.gz ZSVBKCYUJWOECW-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN NCc1cc2c(Cl)cccc2[nH]1 82635110 169220716 /nfs/dbraw/zinc/22/07/16/169220716.db2.gz FVPYKLLFDIDTGZ-UHFFFAOYSA-N 0 3 180.638 2.280 10 0 AEAEHN NCc1cc2ccc(O)cc2s1 82871535 169220825 /nfs/dbraw/zinc/22/08/25/169220825.db2.gz WKNVKFAANZAUBV-UHFFFAOYSA-N 0 3 179.244 2.066 10 0 AEAEHN [NH3+]Cc1cc2cccc([O-])c2s1 82871536 169220945 /nfs/dbraw/zinc/22/09/45/169220945.db2.gz DBHCMVBVSWUDCO-UHFFFAOYSA-N 0 3 179.244 2.066 10 0 AEAEHN NCc1cc2c(nc1Cl)CCCC2 82909760 169220981 /nfs/dbraw/zinc/22/09/81/169220981.db2.gz PRTMYMTZXOSPEP-UHFFFAOYSA-N 0 3 196.681 2.073 10 0 AEAEHN NCc1cc(Cl)ccc1OC1CC1 95737959 169220992 /nfs/dbraw/zinc/22/09/92/169220992.db2.gz IXQCAPZFVQNIQP-UHFFFAOYSA-N 0 3 197.665 2.340 10 0 AEAEHN NCc1cc(F)c(F)c(Cl)c1F 83342433 169221197 /nfs/dbraw/zinc/22/11/97/169221197.db2.gz ZIMLFMBUFOHNLD-UHFFFAOYSA-N 0 3 195.571 2.216 10 0 AEAEHN NCc1cc2ccc(Cl)cc2cn1 95934480 169221257 /nfs/dbraw/zinc/22/12/57/169221257.db2.gz ZRFGNSJTFHWIDR-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN NCc1cc2ccnc(Cl)c2s1 82911677 169221470 /nfs/dbraw/zinc/22/14/70/169221470.db2.gz PYZJPNKEZUFRGJ-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN NCc1ccc(Cl)cc1NC1CC1 62787023 169222001 /nfs/dbraw/zinc/22/20/01/169222001.db2.gz SIBVJKUIBRSQQC-UHFFFAOYSA-N 0 3 196.681 2.373 10 0 AEAEHN NCc1ccc(Cl)c(Cl)c1N 82636548 169222549 /nfs/dbraw/zinc/22/25/49/169222549.db2.gz BJMJGAYBJKMOPP-UHFFFAOYSA-N 0 3 191.061 2.034 10 0 AEAEHN NCc1ccc(Cl)cc1OC1CC1 95738052 169222786 /nfs/dbraw/zinc/22/27/86/169222786.db2.gz VUNLSLGPEBKXGK-UHFFFAOYSA-N 0 3 197.665 2.340 10 0 AEAEHN NCc1ccc(-c2ccccc2)[nH]1 45902156 169222816 /nfs/dbraw/zinc/22/28/16/169222816.db2.gz ZDYCQUFLBDNJFS-UHFFFAOYSA-N 0 3 172.231 2.140 10 0 AEAEHN NCc1ccc(OC2CC2)cc1Cl 95738049 169223698 /nfs/dbraw/zinc/22/36/98/169223698.db2.gz RKCFUSGWBNYIPM-UHFFFAOYSA-N 0 3 197.665 2.340 10 0 AEAEHN NCc1ccccc1NC1CCC1 82634336 169224027 /nfs/dbraw/zinc/22/40/27/169224027.db2.gz ADDPRAZLRUXRNE-UHFFFAOYSA-N 0 3 176.263 2.110 10 0 AEAEHN NCc1cccc(OC2CC2)c1Cl 95738091 169224089 /nfs/dbraw/zinc/22/40/89/169224089.db2.gz AOBMTMIBGSBNEQ-UHFFFAOYSA-N 0 3 197.665 2.340 10 0 AEAEHN NCc1cccc(CF)c1Cl 83340180 169224570 /nfs/dbraw/zinc/22/45/70/169224570.db2.gz UIEBPZBEDYADKP-UHFFFAOYSA-N 0 3 173.618 2.268 10 0 AEAEHN NCc1ccccc1OC/C=C/Cl 37698960 169224700 /nfs/dbraw/zinc/22/47/00/169224700.db2.gz CYDQOEOQCULIHD-ZZXKWVIFSA-N 0 3 197.665 2.277 10 0 AEAEHN NCc1cccc(Cl)c1OC1CC1 95738094 169224788 /nfs/dbraw/zinc/22/47/88/169224788.db2.gz STQCDBDFXFOFTL-UHFFFAOYSA-N 0 3 197.665 2.340 10 0 AEAEHN NCc1ccccc1OC1CCC1 50519000 169224799 /nfs/dbraw/zinc/22/47/99/169224799.db2.gz JUHKDIJPAIQKKO-UHFFFAOYSA-N 0 3 177.247 2.077 10 0 AEAEHN NCc1ccccc1NC1CCCC1 11757297 169224906 /nfs/dbraw/zinc/22/49/06/169224906.db2.gz NUWRZJQGZXTGDV-UHFFFAOYSA-N 0 3 190.290 2.500 10 0 AEAEHN NCc1cccnc1Nc1ccccc1 41209885 169225203 /nfs/dbraw/zinc/22/52/03/169225203.db2.gz DECBEECYBHUSOO-UHFFFAOYSA-N 0 3 199.257 2.284 10 0 AEAEHN NCc1cccn1Cc1cccs1 82636905 169225314 /nfs/dbraw/zinc/22/53/14/169225314.db2.gz KHCTYCOYXXXMPT-UHFFFAOYSA-N 0 3 192.287 2.057 10 0 AEAEHN NCc1cnc(-c2cccs2)s1 11760561 169225732 /nfs/dbraw/zinc/22/57/32/169225732.db2.gz YIFQYHCVEVZZQA-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN NCc1cccn1CC1CCCC1 82634676 169225817 /nfs/dbraw/zinc/22/58/17/169225817.db2.gz TWLBIHRCBIFMFN-UHFFFAOYSA-N 0 3 178.279 2.137 10 0 AEAEHN NCc1cn(C2CCCCCC2)cn1 82530749 169225856 /nfs/dbraw/zinc/22/58/56/169225856.db2.gz OHLNOMQOGGBXHB-UHFFFAOYSA-N 0 3 193.294 2.237 10 0 AEAEHN NCc1ccoc1COC1CCCC1 52600667 169225879 /nfs/dbraw/zinc/22/58/79/169225879.db2.gz RIPTYOQXXGMZIY-UHFFFAOYSA-N 0 3 195.262 2.198 10 0 AEAEHN NCc1cnc(-c2ccsc2)s1 40996535 169225918 /nfs/dbraw/zinc/22/59/18/169225918.db2.gz JXIZKOIERDDMIA-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN NCc1coc2c(F)cccc12 82855970 169226589 /nfs/dbraw/zinc/22/65/89/169226589.db2.gz XUZLICDCIYPTPQ-UHFFFAOYSA-N 0 3 165.167 2.031 10 0 AEAEHN NCc1cnc2c(Cl)cccc2c1 62567702 169226655 /nfs/dbraw/zinc/22/66/55/169226655.db2.gz GPSXSPCGSRMMRW-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN NCc1coc2cc(F)ccc12 82855969 169226963 /nfs/dbraw/zinc/22/69/63/169226963.db2.gz ZXTQHSZRBPVJNI-UHFFFAOYSA-N 0 3 165.167 2.031 10 0 AEAEHN NCc1cnn(C2CCCCCC2)c1 40928434 169226972 /nfs/dbraw/zinc/22/69/72/169226972.db2.gz MCUSQRHGJOZVBB-UHFFFAOYSA-N 0 3 193.294 2.237 10 0 AEAEHN NCc1cnc2cc(Cl)ccc2c1 62567704 169227552 /nfs/dbraw/zinc/22/75/52/169227552.db2.gz IQBNYXDHZLHWNJ-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN NCc1coc2cc(F)cc(F)c12 75882394 169227575 /nfs/dbraw/zinc/22/75/75/169227575.db2.gz LGKFHZZHIOLTRD-UHFFFAOYSA-N 0 3 183.157 2.170 10 0 AEAEHN NCc1coc2c(F)ccc(F)c12 75882390 169227609 /nfs/dbraw/zinc/22/76/09/169227609.db2.gz GDJPRQPEHPJFHP-UHFFFAOYSA-N 0 3 183.157 2.170 10 0 AEAEHN NCc1cnc2ccc(Cl)cc2c1 62567705 169227692 /nfs/dbraw/zinc/22/76/92/169227692.db2.gz KZZHNVMCVRBQFH-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN NCc1coc(COC2CCCC2)c1 52600797 169227755 /nfs/dbraw/zinc/22/77/55/169227755.db2.gz ZKPSQZPBUAVALC-UHFFFAOYSA-N 0 3 195.262 2.198 10 0 AEAEHN NCc1csc([C@H]2CC=CCC2)n1 83342188 169228078 /nfs/dbraw/zinc/22/80/78/169228078.db2.gz PLSHSXJKEVEXKW-QMMMGPOBSA-N 0 3 194.303 2.426 10 0 AEAEHN NCc1csc(C2CC=CC2)n1 83340518 169229346 /nfs/dbraw/zinc/22/93/46/169229346.db2.gz BOQSYSMDWOWPJO-UHFFFAOYSA-N 0 3 180.276 2.035 10 0 AEAEHN NCc1coc2cccc(F)c12 75882392 169229495 /nfs/dbraw/zinc/22/94/95/169229495.db2.gz XDZFNPDZWHDGHZ-UHFFFAOYSA-N 0 3 165.167 2.031 10 0 AEAEHN NCc1csc([C@@H]2CC=CCC2)n1 83342189 169229923 /nfs/dbraw/zinc/22/99/23/169229923.db2.gz PLSHSXJKEVEXKW-MRVPVSSYSA-N 0 3 194.303 2.426 10 0 AEAEHN NCc1nccc2ccc(Cl)cc12 82388565 169230603 /nfs/dbraw/zinc/23/06/03/169230603.db2.gz RDDHUPPULCSHCT-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN NCc1ncccc1-c1cccs1 41652989 169230923 /nfs/dbraw/zinc/23/09/23/169230923.db2.gz BKQUYKITVPIRHY-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN NCc1nccc2c(Cl)cccc12 82388566 169231233 /nfs/dbraw/zinc/23/12/33/169231233.db2.gz LTTBEQLWRSLYIL-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN NCc1ncccc1-c1ccccc1 34144222 169231352 /nfs/dbraw/zinc/23/13/52/169231352.db2.gz HYHSMDBVIKNRBH-UHFFFAOYSA-N 0 3 184.242 2.207 10 0 AEAEHN NCc1ncccc1-c1ccsc1 41652995 169231687 /nfs/dbraw/zinc/23/16/87/169231687.db2.gz JJORQNABKRJTDQ-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN NCc1sccc1C1CC1 82842811 169232075 /nfs/dbraw/zinc/23/20/75/169232075.db2.gz UNOUXNVQBLVFJZ-UHFFFAOYSA-N 0 3 153.250 2.084 10 0 AEAEHN NCc1occc1-c1cccs1 82634763 169232086 /nfs/dbraw/zinc/23/20/86/169232086.db2.gz MKCURQSGEFSSHO-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN NCc1scnc1-c1cccs1 20184348 169232156 /nfs/dbraw/zinc/23/21/56/169232156.db2.gz FSZMNWMNFLNUOR-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN NCc1occc1-c1ccccc1 82633906 169232467 /nfs/dbraw/zinc/23/24/67/169232467.db2.gz GEVAGQPQKVFIJF-UHFFFAOYSA-N 0 3 173.215 2.405 10 0 AEAEHN NCc1sc(C2CC2)nc1C1CC1 82436279 169233337 /nfs/dbraw/zinc/23/33/37/169233337.db2.gz GDLYSMKCWOZJPG-UHFFFAOYSA-N 0 3 194.303 2.357 10 0 AEAEHN N[C@@H](C1=CCCCCC1)c1cn[nH]c1 62777312 169242878 /nfs/dbraw/zinc/24/28/78/169242878.db2.gz OJOGAQAWSABVHU-NSHDSACASA-N 0 3 191.278 2.300 10 0 AEAEHN N[C@@H](CC1CCCC1)c1cnccn1 53819463 169242927 /nfs/dbraw/zinc/24/29/27/169242927.db2.gz SYIPPORUXCMMCW-JTQLQIEISA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@@H](C1=CCCC1)c1ccoc1 50326912 169243068 /nfs/dbraw/zinc/24/30/68/169243068.db2.gz LTIPRUMFQBJDBM-JTQLQIEISA-N 0 3 163.220 2.390 10 0 AEAEHN N[C@@H](CC1CCOCC1)c1ccco1 54455861 169243212 /nfs/dbraw/zinc/24/32/12/169243212.db2.gz WYLZBQIADBOIPM-JTQLQIEISA-N 0 3 195.262 2.096 10 0 AEAEHN N[C@@H](CC(F)(F)F)c1cccnc1 42413215 169243324 /nfs/dbraw/zinc/24/33/24/169243324.db2.gz PJDFMWZBIGAKDJ-ZETCQYMHSA-N 0 3 190.168 2.034 10 0 AEAEHN N[C@@H](CC(F)(F)F)c1ccccn1 82718640 169243734 /nfs/dbraw/zinc/24/37/34/169243734.db2.gz ARYBWWQEKHFROJ-LURJTMIESA-N 0 3 190.168 2.034 10 0 AEAEHN N[C@@H](CC1CC1)c1ccco1 49844537 169243777 /nfs/dbraw/zinc/24/37/77/169243777.db2.gz MAAVLZDVKCZIJZ-QMMMGPOBSA-N 0 3 151.209 2.080 10 0 AEAEHN N[C@@H](CC(F)(F)F)c1cscn1 82386073 169243839 /nfs/dbraw/zinc/24/38/39/169243839.db2.gz ITPLVEUUSRYVPY-BYPYZUCNSA-N 0 3 196.197 2.095 10 0 AEAEHN N[C@@H](CF)Cc1ccc(Cl)cc1 6092946 169244493 /nfs/dbraw/zinc/24/44/93/169244493.db2.gz BXLICFUSUZPSHT-SECBINFHSA-N 0 3 187.645 2.179 10 0 AEAEHN N[C@@H](Cn1cccc1)c1ccccc1 11979960 169247143 /nfs/dbraw/zinc/24/71/43/169247143.db2.gz ZFNLXBKUNQHYFZ-LBPRGKRZSA-N 0 3 186.258 2.188 10 0 AEAEHN N[C@@H](C[C@H]1CCCO1)c1cccs1 40237879 169247301 /nfs/dbraw/zinc/24/73/01/169247301.db2.gz MLYCJCJIMNUPOV-BDAKNGLRSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@@H](C[C@@H]1CCCO1)c1cccs1 40237875 169248334 /nfs/dbraw/zinc/24/83/34/169248334.db2.gz MLYCJCJIMNUPOV-IUCAKERBSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@@H](c1nc2c(s1)CCC2)C1CC1 41059406 169248982 /nfs/dbraw/zinc/24/89/82/169248982.db2.gz JABXOQRXXRCBLK-SECBINFHSA-N 0 3 194.303 2.042 10 0 AEAEHN N[C@@H](c1ccccc1)[C@H]1CCCCO1 50960592 169249204 /nfs/dbraw/zinc/24/92/04/169249204.db2.gz ZOBVSNQVXDTMPS-NEPJUHHUSA-N 0 3 191.274 2.256 10 0 AEAEHN N[C@@H](c1cccs1)[C@@H]1CCCCO1 50960651 169249242 /nfs/dbraw/zinc/24/92/42/169249242.db2.gz REVKSMFEPMDRCJ-WCBMZHEXSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@@H](c1ccc(F)cc1)c1ccoc1 35379525 169249347 /nfs/dbraw/zinc/24/93/47/169249347.db2.gz VJDCNDMUKSHVBY-NSHDSACASA-N 0 3 191.205 2.467 10 0 AEAEHN N[C@@H](c1cccs1)[C@H]1CCCCO1 50960655 169249364 /nfs/dbraw/zinc/24/93/64/169249364.db2.gz REVKSMFEPMDRCJ-PSASIEDQSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@@H](c1ccccc1)c1ccc[nH]1 11848736 169249368 /nfs/dbraw/zinc/24/93/68/169249368.db2.gz ALEHGEABPWWUSP-NSHDSACASA-N 0 3 172.231 2.063 10 0 AEAEHN N[C@@H](c1cccnc1)c1cccs1 19795707 169249463 /nfs/dbraw/zinc/24/94/63/169249463.db2.gz MVMUPSQPCZWMRA-JTQLQIEISA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@@H](c1ccncc1)c1ccsc1 41653331 169249616 /nfs/dbraw/zinc/24/96/16/169249616.db2.gz ISCWWMAEPRXPAD-JTQLQIEISA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@@H](c1cnccn1)C1CCCCC1 37467066 169249708 /nfs/dbraw/zinc/24/97/08/169249708.db2.gz VZKMTINBRKOIHI-LLVKDONJSA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@@H](c1cccnc1)c1ccsc1 37761815 169249792 /nfs/dbraw/zinc/24/97/92/169249792.db2.gz AKAXFAQVLSMPFF-JTQLQIEISA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@@H](c1nccs1)C1CCCC1 50272830 169249923 /nfs/dbraw/zinc/24/99/23/169249923.db2.gz GXIVYWDVMWLRKI-MRVPVSSYSA-N 0 3 182.292 2.333 10 0 AEAEHN N[C@@H](c1ccc(F)cc1)c1ccc[nH]1 11823062 169249946 /nfs/dbraw/zinc/24/99/46/169249946.db2.gz NGVBBONMIBKDEF-NSHDSACASA-N 0 3 190.221 2.202 10 0 AEAEHN N[C@@H](c1ccccc1)[C@@H]1CCCCO1 50960588 169250049 /nfs/dbraw/zinc/25/00/49/169250049.db2.gz ZOBVSNQVXDTMPS-RYUDHWBXSA-N 0 3 191.274 2.256 10 0 AEAEHN N[C@@H](c1cncnc1)C1CCCCC1 52887035 169250120 /nfs/dbraw/zinc/25/01/20/169250120.db2.gz LSOHTEVZQXVTCO-LLVKDONJSA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@@H]1C=Cc2cccc(Cl)c21 57935572 169250563 /nfs/dbraw/zinc/25/05/63/169250563.db2.gz UHESNODDEURUMP-MRVPVSSYSA-N 0 3 165.623 2.367 10 0 AEAEHN N[C@@H]1C=Cc2cc(Cl)ccc21 57935570 169250852 /nfs/dbraw/zinc/25/08/52/169250852.db2.gz AUFQAYJOWBNANI-SECBINFHSA-N 0 3 165.623 2.367 10 0 AEAEHN N[C@@H]1C=CCc2cccc(Cl)c21 75569672 169251193 /nfs/dbraw/zinc/25/11/93/169251193.db2.gz JENZIBAHYRXCKK-SECBINFHSA-N 0 3 179.650 2.452 10 0 AEAEHN N[C@@H]1CCCNc2ccc(F)cc21 95751325 169251734 /nfs/dbraw/zinc/25/17/34/169251734.db2.gz BZRPXYDSRAQFMR-SECBINFHSA-N 0 3 180.226 2.031 10 0 AEAEHN N[C@@H]1CCCNc2c(F)cccc21 95751298 169251984 /nfs/dbraw/zinc/25/19/84/169251984.db2.gz KVQRPEBVTJYIIG-SECBINFHSA-N 0 3 180.226 2.031 10 0 AEAEHN N[C@@H]1CCCOc2c1ccc(F)c2F 62611237 169252246 /nfs/dbraw/zinc/25/22/46/169252246.db2.gz FUQVEHLRHONZTD-MRVPVSSYSA-N 0 3 199.200 2.137 10 0 AEAEHN N[C@@H]1CCCOc2c(F)cc(F)cc21 36928607 169252293 /nfs/dbraw/zinc/25/22/93/169252293.db2.gz BEXNUYLCBGMUPI-SECBINFHSA-N 0 3 199.200 2.137 10 0 AEAEHN N[C@@H]1CCCOc2cc(F)cc(F)c21 54931965 169252375 /nfs/dbraw/zinc/25/23/75/169252375.db2.gz KYHFXJSEFXVAFE-MRVPVSSYSA-N 0 3 199.200 2.137 10 0 AEAEHN N[C@@H]1CCCc2nc(C3CC3)sc21 50329908 169252702 /nfs/dbraw/zinc/25/27/02/169252702.db2.gz XXFKMYLYHPNMRC-SSDOTTSWSA-N 0 3 194.303 2.357 10 0 AEAEHN N[C@@H]1CCNc2c(Cl)cccc21 71479900 169253851 /nfs/dbraw/zinc/25/38/51/169253851.db2.gz WEDIXCGUWTZXSE-MRVPVSSYSA-N 0 3 182.654 2.155 10 0 AEAEHN N[C@@H]1CCn2c1cc1ccccc12 82400007 169257711 /nfs/dbraw/zinc/25/77/11/169257711.db2.gz SFSWJZORFBRPIJ-SECBINFHSA-N 0 3 172.231 2.045 10 0 AEAEHN N[C@@H]1C[C@@]1(F)c1ccc(Cl)cc1 13584956 169258660 /nfs/dbraw/zinc/25/86/60/169258660.db2.gz UTADHPUNQUNGFZ-RKDXNWHRSA-N 0 3 185.629 2.236 10 0 AEAEHN N[C@@H]1C[C@]1(F)c1ccc(Cl)cc1 13584963 169260276 /nfs/dbraw/zinc/26/02/76/169260276.db2.gz UTADHPUNQUNGFZ-BDAKNGLRSA-N 0 3 185.629 2.236 10 0 in-vivo AEAEHN N[C@@H]1c2ccsc2CC12CC2 71489402 169260502 /nfs/dbraw/zinc/26/05/02/169260502.db2.gz LPSIQFQXETUCQA-MRVPVSSYSA-N 0 3 165.261 2.084 10 0 AEAEHN N[C@@H]1c2cccnc2-c2sccc21 82781697 169260539 /nfs/dbraw/zinc/26/05/39/169260539.db2.gz BSILNMZKIUKSGZ-MRVPVSSYSA-N 0 3 188.255 2.172 10 0 AEAEHN N[C@@H]1c2ccsc2CCC12CC2 71489325 169260699 /nfs/dbraw/zinc/26/06/99/169260699.db2.gz MUKOMIQGAROEQA-SECBINFHSA-N 0 3 179.288 2.474 10 0 AEAEHN N[C@@H]1c2cccc(F)c2NCC12CC2 71490041 169260878 /nfs/dbraw/zinc/26/08/78/169260878.db2.gz UHMMFRLKHCMMEJ-SNVBAGLBSA-N 0 3 192.237 2.031 10 0 AEAEHN N[C@@H]1c2ccccc2-c2ncccc21 82781693 169260932 /nfs/dbraw/zinc/26/09/32/169260932.db2.gz PLJJNEKTCSNODJ-LLVKDONJSA-N 0 3 182.226 2.110 10 0 AEAEHN N[C@@H]1c2cc(F)ccc2NCC12CC2 71490017 169261554 /nfs/dbraw/zinc/26/15/54/169261554.db2.gz MFCPHIQURDMIRO-SNVBAGLBSA-N 0 3 192.237 2.031 10 0 AEAEHN N[C@H](CC(F)(F)F)c1cscn1 82386072 169263313 /nfs/dbraw/zinc/26/33/13/169263313.db2.gz ITPLVEUUSRYVPY-SCSAIBSYSA-N 0 3 196.197 2.095 10 0 AEAEHN N[C@H](C1=CCCCCC1)c1cn[nH]c1 62777311 169263464 /nfs/dbraw/zinc/26/34/64/169263464.db2.gz OJOGAQAWSABVHU-LLVKDONJSA-N 0 3 191.278 2.300 10 0 AEAEHN N[C@H](CC1CCCC1)c1cnccn1 53819461 169263740 /nfs/dbraw/zinc/26/37/40/169263740.db2.gz SYIPPORUXCMMCW-SNVBAGLBSA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@H](CC(F)(F)F)c1ccccn1 82718639 169263883 /nfs/dbraw/zinc/26/38/83/169263883.db2.gz ARYBWWQEKHFROJ-ZCFIWIBFSA-N 0 3 190.168 2.034 10 0 AEAEHN N[C@H](C1=CCCC1)c1ccoc1 50326911 169263896 /nfs/dbraw/zinc/26/38/96/169263896.db2.gz LTIPRUMFQBJDBM-SNVBAGLBSA-N 0 3 163.220 2.390 10 0 AEAEHN N[C@H](CC(F)(F)F)c1cccnc1 42413214 169264280 /nfs/dbraw/zinc/26/42/80/169264280.db2.gz PJDFMWZBIGAKDJ-SSDOTTSWSA-N 0 3 190.168 2.034 10 0 AEAEHN N[C@H](CC1CC1)c1ccco1 49844536 169264333 /nfs/dbraw/zinc/26/43/33/169264333.db2.gz MAAVLZDVKCZIJZ-MRVPVSSYSA-N 0 3 151.209 2.080 10 0 AEAEHN N[C@H](CC1CCOCC1)c1ccco1 54455860 169265353 /nfs/dbraw/zinc/26/53/53/169265353.db2.gz WYLZBQIADBOIPM-SNVBAGLBSA-N 0 3 195.262 2.096 10 0 AEAEHN N[C@H](CF)Cc1ccc(Cl)cc1 6092931 169265834 /nfs/dbraw/zinc/26/58/34/169265834.db2.gz BXLICFUSUZPSHT-VIFPVBQESA-N 0 3 187.645 2.179 10 0 AEAEHN N[C@H](C[C@@H]1CCCO1)c1cccs1 40237873 169267712 /nfs/dbraw/zinc/26/77/12/169267712.db2.gz MLYCJCJIMNUPOV-DTWKUNHWSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@H](C[C@H]1CCCO1)c1cccs1 40237877 169267748 /nfs/dbraw/zinc/26/77/48/169267748.db2.gz MLYCJCJIMNUPOV-RKDXNWHRSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@H](c1cnccn1)C1CCCCC1 37467068 169269066 /nfs/dbraw/zinc/26/90/66/169269066.db2.gz VZKMTINBRKOIHI-NSHDSACASA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@H](c1ccccc1)c1ccc[nH]1 11848737 169269306 /nfs/dbraw/zinc/26/93/06/169269306.db2.gz ALEHGEABPWWUSP-LLVKDONJSA-N 0 3 172.231 2.063 10 0 AEAEHN N[C@H](Cn1cccc1)c1ccccc1 11979967 169269322 /nfs/dbraw/zinc/26/93/22/169269322.db2.gz ZFNLXBKUNQHYFZ-GFCCVEGCSA-N 0 3 186.258 2.188 10 0 AEAEHN N[C@H](c1cccnc1)c1ccsc1 37761816 169269325 /nfs/dbraw/zinc/26/93/25/169269325.db2.gz AKAXFAQVLSMPFF-SNVBAGLBSA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@H](c1nccs1)C1CCCC1 50272831 169269353 /nfs/dbraw/zinc/26/93/53/169269353.db2.gz GXIVYWDVMWLRKI-QMMMGPOBSA-N 0 3 182.292 2.333 10 0 AEAEHN N[C@H](c1cncnc1)C1CCCCC1 52887036 169269627 /nfs/dbraw/zinc/26/96/27/169269627.db2.gz LSOHTEVZQXVTCO-NSHDSACASA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@H](c1nc2c(s1)CCC2)C1CC1 41059407 169269976 /nfs/dbraw/zinc/26/99/76/169269976.db2.gz JABXOQRXXRCBLK-VIFPVBQESA-N 0 3 194.303 2.042 10 0 AEAEHN N[C@H](c1ccc(F)cc1)c1ccoc1 35379526 169270071 /nfs/dbraw/zinc/27/00/71/169270071.db2.gz VJDCNDMUKSHVBY-LLVKDONJSA-N 0 3 191.205 2.467 10 0 AEAEHN N[C@H](c1cccnc1)c1cccs1 19795709 169270169 /nfs/dbraw/zinc/27/01/69/169270169.db2.gz MVMUPSQPCZWMRA-SNVBAGLBSA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@H](c1ccccc1)[C@@H]1CCCCO1 50960590 169270184 /nfs/dbraw/zinc/27/01/84/169270184.db2.gz ZOBVSNQVXDTMPS-NWDGAFQWSA-N 0 3 191.274 2.256 10 0 AEAEHN N[C@H](c1ccc(F)cc1)c1ccc[nH]1 11823066 169270195 /nfs/dbraw/zinc/27/01/95/169270195.db2.gz NGVBBONMIBKDEF-LLVKDONJSA-N 0 3 190.221 2.202 10 0 AEAEHN N[C@H](c1ccncc1)c1ccsc1 41653336 169270212 /nfs/dbraw/zinc/27/02/12/169270212.db2.gz ISCWWMAEPRXPAD-SNVBAGLBSA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@H](c1ccccc1)[C@H]1CCCCO1 50960594 169270279 /nfs/dbraw/zinc/27/02/79/169270279.db2.gz ZOBVSNQVXDTMPS-VXGBXAGGSA-N 0 3 191.274 2.256 10 0 AEAEHN N[C@H](c1cccs1)[C@H]1CCCCO1 50960656 169270282 /nfs/dbraw/zinc/27/02/82/169270282.db2.gz REVKSMFEPMDRCJ-SCZZXKLOSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@H](c1cccs1)[C@@H]1CCCCO1 50960653 169270297 /nfs/dbraw/zinc/27/02/97/169270297.db2.gz REVKSMFEPMDRCJ-WPRPVWTQSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@H]1C=Cc2cc(Cl)ccc21 57935566 169270532 /nfs/dbraw/zinc/27/05/32/169270532.db2.gz AUFQAYJOWBNANI-VIFPVBQESA-N 0 3 165.623 2.367 10 0 AEAEHN N[C@H]1C=CCc2cccc(Cl)c21 75569679 169270821 /nfs/dbraw/zinc/27/08/21/169270821.db2.gz JENZIBAHYRXCKK-VIFPVBQESA-N 0 3 179.650 2.452 10 0 AEAEHN N[C@H]1C=Cc2cccc(Cl)c21 57935574 169271396 /nfs/dbraw/zinc/27/13/96/169271396.db2.gz UHESNODDEURUMP-QMMMGPOBSA-N 0 3 165.623 2.367 10 0 AEAEHN N[C@H]1CCCOc2cc(F)cc(F)c21 54931964 169273020 /nfs/dbraw/zinc/27/30/20/169273020.db2.gz KYHFXJSEFXVAFE-QMMMGPOBSA-N 0 3 199.200 2.137 10 0 AEAEHN N[C@H]1CCCNc2c(F)cccc21 95751294 169273254 /nfs/dbraw/zinc/27/32/54/169273254.db2.gz KVQRPEBVTJYIIG-VIFPVBQESA-N 0 3 180.226 2.031 10 0 AEAEHN N[C@H]1CCCOc2c(F)cc(F)cc21 36928608 169273622 /nfs/dbraw/zinc/27/36/22/169273622.db2.gz BEXNUYLCBGMUPI-VIFPVBQESA-N 0 3 199.200 2.137 10 0 AEAEHN N[C@H]1CCCOc2c1ccc(F)c2F 62611239 169273970 /nfs/dbraw/zinc/27/39/70/169273970.db2.gz FUQVEHLRHONZTD-QMMMGPOBSA-N 0 3 199.200 2.137 10 0 AEAEHN N[C@H]1CCCNc2ccc(F)cc21 95751327 169273980 /nfs/dbraw/zinc/27/39/80/169273980.db2.gz BZRPXYDSRAQFMR-VIFPVBQESA-N 0 3 180.226 2.031 10 0 AEAEHN N[C@H]1CCNc2c(Cl)cccc21 71479899 169274688 /nfs/dbraw/zinc/27/46/88/169274688.db2.gz WEDIXCGUWTZXSE-QMMMGPOBSA-N 0 3 182.654 2.155 10 0 AEAEHN N[C@H]1CCCc2nc(C3CC3)sc21 50329909 169275129 /nfs/dbraw/zinc/27/51/29/169275129.db2.gz XXFKMYLYHPNMRC-ZETCQYMHSA-N 0 3 194.303 2.357 10 0 AEAEHN N[C@H]1CCn2c1cc1ccccc12 82400005 169276908 /nfs/dbraw/zinc/27/69/08/169276908.db2.gz SFSWJZORFBRPIJ-VIFPVBQESA-N 0 3 172.231 2.045 10 0 AEAEHN N[C@H]1C[C@@]1(F)c1ccc(Cl)cc1 28464311 169278774 /nfs/dbraw/zinc/27/87/74/169278774.db2.gz UTADHPUNQUNGFZ-DTWKUNHWSA-N 0 3 185.629 2.236 10 0 AEAEHN N[C@H]1C[C@]1(F)c1ccc(Cl)cc1 28464316 169280124 /nfs/dbraw/zinc/28/01/24/169280124.db2.gz UTADHPUNQUNGFZ-IUCAKERBSA-N 0 3 185.629 2.236 10 0 in-vivo AEAEHN N[C@H]1c2cccc(F)c2NCC12CC2 71490043 169280393 /nfs/dbraw/zinc/28/03/93/169280393.db2.gz UHMMFRLKHCMMEJ-JTQLQIEISA-N 0 3 192.237 2.031 10 0 AEAEHN N[C@H]1c2cccnc2-c2sccc21 82781698 169280403 /nfs/dbraw/zinc/28/04/03/169280403.db2.gz BSILNMZKIUKSGZ-QMMMGPOBSA-N 0 3 188.255 2.172 10 0 AEAEHN N[C@H]1c2cc(F)ccc2NCC12CC2 71490015 169280715 /nfs/dbraw/zinc/28/07/15/169280715.db2.gz MFCPHIQURDMIRO-JTQLQIEISA-N 0 3 192.237 2.031 10 0 AEAEHN N[C@H]1c2ccsc2CC12CC2 71489400 169281128 /nfs/dbraw/zinc/28/11/28/169281128.db2.gz LPSIQFQXETUCQA-QMMMGPOBSA-N 0 3 165.261 2.084 10 0 AEAEHN N[C@H]1c2ccccc2-c2ncccc21 82781694 169281775 /nfs/dbraw/zinc/28/17/75/169281775.db2.gz PLJJNEKTCSNODJ-NSHDSACASA-N 0 3 182.226 2.110 10 0 AEAEHN N[C@H]1c2ccsc2CCC12CC2 71489322 169281784 /nfs/dbraw/zinc/28/17/84/169281784.db2.gz MUKOMIQGAROEQA-VIFPVBQESA-N 0 3 179.288 2.474 10 0 AEAEHN Nc1c2c(nc3ccsc13)CCC2 82390287 169283106 /nfs/dbraw/zinc/28/31/06/169283106.db2.gz DBQSKAMOOBBBEY-UHFFFAOYSA-N 0 3 190.271 2.367 10 0 AEAEHN Nc1ccc(CNC2CCCCC2)o1 105516832 169291542 /nfs/dbraw/zinc/29/15/42/169291542.db2.gz PYNXJVARDJWOKH-UHFFFAOYSA-N 0 3 194.278 2.284 10 0 AEAEHN Nc1ccc([C@@H]2CCCCN2)c(F)c1 75905508 169293716 /nfs/dbraw/zinc/29/37/16/169293716.db2.gz ISYLOXJTDPYRHI-NSHDSACASA-N 0 3 194.253 2.223 10 0 AEAEHN Nc1ccc([C@H]2CCCCN2)c(F)c1 75905509 169293974 /nfs/dbraw/zinc/29/39/74/169293974.db2.gz ISYLOXJTDPYRHI-LLVKDONJSA-N 0 3 194.253 2.223 10 0 AEAEHN Nc1ccc2c3c(cccc13)CNC2 21983076 169295080 /nfs/dbraw/zinc/29/50/80/169295080.db2.gz OULSGMNHQKTMPO-UHFFFAOYSA-N 0 3 184.242 2.025 10 0 AEAEHN Nc1cccc(CNc2ccncc2)c1 52926010 169296267 /nfs/dbraw/zinc/29/62/67/169296267.db2.gz IVVWVIWSPBTBIN-UHFFFAOYSA-N 0 3 199.257 2.276 10 0 AEAEHN Nc1cccc(NCc2ccccc2)n1 75601347 169297112 /nfs/dbraw/zinc/29/71/12/169297112.db2.gz AAMORHMWELAOSM-UHFFFAOYSA-N 0 3 199.257 2.276 10 0 AEAEHN Nc1cccc2ccc3nc[nH]c3c12 95922963 169297344 /nfs/dbraw/zinc/29/73/44/169297344.db2.gz KBRFRVICYFEYPT-UHFFFAOYSA-N 0 3 183.214 2.298 10 0 AEAEHN Nc1ccccc1CNc1ccncc1 50015448 169298917 /nfs/dbraw/zinc/29/89/17/169298917.db2.gz WVKVHZMHFIHMDG-UHFFFAOYSA-N 0 3 199.257 2.276 10 0 AEAEHN Nc1ccnc(C2CCCC2)c1 72192988 169299533 /nfs/dbraw/zinc/29/95/33/169299533.db2.gz FTNVALISXGOWOH-UHFFFAOYSA-N 0 3 162.236 2.321 10 0 AEAEHN Nc1ccnc(-c2cccc(F)c2)c1 47203674 169300041 /nfs/dbraw/zinc/30/00/41/169300041.db2.gz CZDPXLZUPLJQIY-UHFFFAOYSA-N 0 3 188.205 2.470 10 0 AEAEHN Nc1ccnc2c1Cc1ccccc1-2 4181426 169300659 /nfs/dbraw/zinc/30/06/59/169300659.db2.gz HCVUSBQWYQPPPW-UHFFFAOYSA-N 0 3 182.226 2.235 10 0 AEAEHN Nc1nc2cc3c(cc2[nH]1)CCCC3 75422906 169306873 /nfs/dbraw/zinc/30/68/73/169306873.db2.gz KDDITOVEJPNECU-UHFFFAOYSA-N 0 3 187.246 2.024 10 0 AEAEHN Nc1ncc(-c2ccccc2)n1C1CC1 66111731 169307477 /nfs/dbraw/zinc/30/74/77/169307477.db2.gz TVEWLQKQZJCCPB-UHFFFAOYSA-N 0 3 199.257 2.467 10 0 AEAEHN Nc1[nH]ccc2nc3ccccc3c1-2 39270568 169309308 /nfs/dbraw/zinc/30/93/08/169309308.db2.gz ZGLULYHNORNQCE-UHFFFAOYSA-N 0 3 183.214 2.298 10 0 AEAEHN O=C1CCCCC[C@H]1N1CCCCC1 37660935 169370960 /nfs/dbraw/zinc/37/09/60/169370960.db2.gz GZBXXUHFYNAKIR-LLVKDONJSA-N 0 3 195.306 2.374 10 0 AEAEHN O=C1CCCCC[C@@H]1N1CCCCC1 37660934 169371078 /nfs/dbraw/zinc/37/10/78/169371078.db2.gz GZBXXUHFYNAKIR-NSHDSACASA-N 0 3 195.306 2.374 10 0 AEAEHN O=C1CCC[C@@H]1N1CCCCCCC1 37331662 169372762 /nfs/dbraw/zinc/37/27/62/169372762.db2.gz MEQOIFCUFTVCGU-NSHDSACASA-N 0 3 195.306 2.374 10 0 AEAEHN O=C1CCC[C@H]1N1CCCCCCC1 37331660 169372885 /nfs/dbraw/zinc/37/28/85/169372885.db2.gz MEQOIFCUFTVCGU-LLVKDONJSA-N 0 3 195.306 2.374 10 0 AEAEHN O=C1CCN(C2CCCCCC2)CC1 34947583 169373468 /nfs/dbraw/zinc/37/34/68/169373468.db2.gz ZKHCUIMTECSQMC-UHFFFAOYSA-N 0 3 195.306 2.374 10 0 AEAEHN O=C1CCNC2(CCCCCC2)C1 82395615 169373765 /nfs/dbraw/zinc/37/37/65/169373765.db2.gz JGCDBTPWNXUUNX-UHFFFAOYSA-N 0 3 181.279 2.032 10 0 AEAEHN [O-]c1ccc([C@@H]2CCCC[NH2+]2)cc1F 82896043 169458164 /nfs/dbraw/zinc/45/81/64/169458164.db2.gz SZKKAFDDEMURIF-JTQLQIEISA-N 0 3 195.237 2.346 10 0 AEAEHN [O-]c1ccc([C@@H]2CC[NH2+]C2)cc1Cl 82910937 169458286 /nfs/dbraw/zinc/45/82/86/169458286.db2.gz CCCIHQQJMKVNED-MRVPVSSYSA-N 0 3 197.665 2.123 10 0 AEAEHN c1cc(N2C3CCC2CC3)ccn1 13474761 169470401 /nfs/dbraw/zinc/47/04/01/169470401.db2.gz DCZKBTCUJWTORX-UHFFFAOYSA-N 0 3 174.247 2.213 10 0 AEAEHN c1cc(CN[C@H]2CC23CC3)cs1 335284101 169470918 /nfs/dbraw/zinc/47/09/18/169470918.db2.gz BKSBPIPSNJSSQI-VIFPVBQESA-N 0 3 179.288 2.390 10 0 AEAEHN c1ccc2c(c1)OCC[C@@H]2NC1CC1 19268133 169479981 /nfs/dbraw/zinc/47/99/81/169479981.db2.gz XUXRXLASGNDMFG-NSHDSACASA-N 0 3 189.258 2.262 10 0 AEAEHN c1coc(CCNc2ccncc2)c1 38059624 169485849 /nfs/dbraw/zinc/48/58/49/169485849.db2.gz NKTCXTWXYDAPSD-UHFFFAOYSA-N 0 3 188.230 2.329 10 0 AEAEHN CCCCc1cc(C)cc(N)n1 2002259 171003598 /nfs/dbraw/zinc/00/35/98/171003598.db2.gz VXEVTWMFMKSFLP-UHFFFAOYSA-N 0 3 164.252 2.315 10 0 AEAEHN CCOc1ccc(F)cc1[C@@H](C)N 3705522 171009246 /nfs/dbraw/zinc/00/92/46/171009246.db2.gz DDEZQEZURZKQPZ-SSDOTTSWSA-N 0 3 183.226 2.244 10 0 AEAEHN CCOc1ccc(F)cc1[C@H](C)N 3705523 171009380 /nfs/dbraw/zinc/00/93/80/171009380.db2.gz DDEZQEZURZKQPZ-ZETCQYMHSA-N 0 3 183.226 2.244 10 0 AEAEHN CC1(C)CO[C@H](c2cccs2)CN1 11803196 171023669 /nfs/dbraw/zinc/02/36/69/171023669.db2.gz FQABBAFXXGRQRY-QMMMGPOBSA-N 0 3 197.303 2.188 10 0 AEAEHN CC1(C)CO[C@@H](c2cccs2)CN1 11803194 171023695 /nfs/dbraw/zinc/02/36/95/171023695.db2.gz FQABBAFXXGRQRY-MRVPVSSYSA-N 0 3 197.303 2.188 10 0 AEAEHN Cc1ccccc1[C@@H](N)c1ccc[nH]1 11823970 171023763 /nfs/dbraw/zinc/02/37/63/171023763.db2.gz RTXOWZJEVHTGFU-GFCCVEGCSA-N 0 3 186.258 2.371 10 0 AEAEHN Cc1ccccc1[C@H](N)c1ccc[nH]1 11823972 171023867 /nfs/dbraw/zinc/02/38/67/171023867.db2.gz RTXOWZJEVHTGFU-LBPRGKRZSA-N 0 3 186.258 2.371 10 0 AEAEHN Cc1ccccc1[C@@H](N)c1cccnc1 37466416 171032171 /nfs/dbraw/zinc/03/21/71/171032171.db2.gz ARTFVIOXKYQKES-ZDUSSCGKSA-N 0 3 198.269 2.438 10 0 AEAEHN Cc1ccccc1[C@H](N)c1cccnc1 37466414 171032201 /nfs/dbraw/zinc/03/22/01/171032201.db2.gz ARTFVIOXKYQKES-CYBMUJFWSA-N 0 3 198.269 2.438 10 0 AEAEHN C[C@@H]1CN=C(NC2CCCC2)S1 20354406 171038908 /nfs/dbraw/zinc/03/89/08/171038908.db2.gz ABYOVRIJJKBOPW-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@H]1CN=C(NC2CCCC2)S1 20354408 171038996 /nfs/dbraw/zinc/03/89/96/171038996.db2.gz ABYOVRIJJKBOPW-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN COc1ccccc1N1CCCC1=N 20443820 171039182 /nfs/dbraw/zinc/03/91/82/171039182.db2.gz ZGOMYNLVTWWOCH-UHFFFAOYSA-N 0 3 190.246 2.273 10 0 AEAEHN CN1CCC2=C(Cc3ccccc32)C1 26292980 171045011 /nfs/dbraw/zinc/04/50/11/171045011.db2.gz BPGPBEYOYLIMCC-UHFFFAOYSA-N 0 3 185.270 2.332 10 0 biogenic,in-vitro AEAEHN CC(=O)C[C@@H](c1ccccc1)N(C)C 39471138 171046757 /nfs/dbraw/zinc/04/67/57/171046757.db2.gz SDENKFVOBSEBMT-LBPRGKRZSA-N 0 3 191.274 2.268 10 0 AEAEHN CN(C)CCSC(C)(C)C 27737750 171046785 /nfs/dbraw/zinc/04/67/85/171046785.db2.gz GGNMUZPXZVTCHJ-UHFFFAOYSA-N 0 3 161.314 2.080 10 0 AEAEHN CN1CCc2c[nH]c3cccc(c23)C1 27710856 171047147 /nfs/dbraw/zinc/04/71/47/171047147.db2.gz CLOHLCGYYLTLCS-UHFFFAOYSA-N 0 3 186.258 2.156 10 0 AEAEHN NCC(=C(F)F)c1ccccc1 29562705 171048740 /nfs/dbraw/zinc/04/87/40/171048740.db2.gz GYRCEZKIOPQVCY-UHFFFAOYSA-N 0 3 169.174 2.253 10 0 AEAEHN CCCc1ncc2ccccn12 32005977 171049254 /nfs/dbraw/zinc/04/92/54/171049254.db2.gz NJEHALOQUQSMQB-UHFFFAOYSA-N 0 3 160.220 2.287 10 0 AEAEHN Cc1ccccc1[C@@H]1CNC[C@H](C)O1 32008402 171049361 /nfs/dbraw/zinc/04/93/61/171049361.db2.gz UVVUMQWSEWLMNY-JQWIXIFHSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1ccccc1[C@@H]1CNC[C@@H](C)O1 32008400 171049401 /nfs/dbraw/zinc/04/94/01/171049401.db2.gz UVVUMQWSEWLMNY-PWSUYJOCSA-N 0 3 191.274 2.044 10 0 AEAEHN CC1(C)COC2(CCCCC2)CN1 32007729 171049498 /nfs/dbraw/zinc/04/94/98/171049498.db2.gz PTARRZRWURTXDA-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CN1CCCC[C@@H]1c1ccccn1 32132925 171049957 /nfs/dbraw/zinc/04/99/57/171049957.db2.gz QXZRRKPSLHBRRW-LLVKDONJSA-N 0 3 176.263 2.238 10 0 AEAEHN CN1CCCC[C@H]1c1ccccn1 32132927 171049993 /nfs/dbraw/zinc/04/99/93/171049993.db2.gz QXZRRKPSLHBRRW-NSHDSACASA-N 0 3 176.263 2.238 10 0 AEAEHN C/C=C/CC[C@H]1NCCS1 33984069 171052461 /nfs/dbraw/zinc/05/24/61/171052461.db2.gz AWFQPUBEUUGVKO-SGJFDWMWSA-N 0 3 157.282 2.005 10 0 AEAEHN C/C=C/CC[C@@H]1NCCS1 33984068 171052563 /nfs/dbraw/zinc/05/25/63/171052563.db2.gz AWFQPUBEUUGVKO-UFUPEUMYSA-N 0 3 157.282 2.005 10 0 AEAEHN NC1(c2ccco2)CCCCC1 34413231 171055227 /nfs/dbraw/zinc/05/52/27/171055227.db2.gz HGEUHWQVQTXTIN-UHFFFAOYSA-N 0 3 165.236 2.398 10 0 AEAEHN CC(C)(C)C(=O)CN1CCCCCC1 34981356 171057457 /nfs/dbraw/zinc/05/74/57/171057457.db2.gz CDCQHMMUWIKLGH-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CC(C)(C)Sc1ncccc1CN 35719967 171058904 /nfs/dbraw/zinc/05/89/04/171058904.db2.gz CFRCBBGFPOWKLS-UHFFFAOYSA-N 0 3 196.319 2.431 10 0 AEAEHN CC(C)(C)Sc1ccc(CN)cn1 35719970 171059118 /nfs/dbraw/zinc/05/91/18/171059118.db2.gz QXCQLYRNUVHUSJ-UHFFFAOYSA-N 0 3 196.319 2.431 10 0 AEAEHN Oc1cccc2c1CC[C@@H]2NC1CC1 36851769 171061957 /nfs/dbraw/zinc/06/19/57/171061957.db2.gz FSAATZQXQDGPML-NSHDSACASA-N 0 3 189.258 2.132 10 0 AEAEHN Oc1cccc2c1CC[C@H]2NC1CC1 36851770 171062217 /nfs/dbraw/zinc/06/22/17/171062217.db2.gz FSAATZQXQDGPML-LLVKDONJSA-N 0 3 189.258 2.132 10 0 AEAEHN CCN(CC)[C@@H]1CCCCCC1=O 37660903 171065873 /nfs/dbraw/zinc/06/58/73/171065873.db2.gz WKEOTJVMMXKXLZ-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN COC1=CC(=N)CC(C)(C)C1 39089226 171074370 /nfs/dbraw/zinc/07/43/70/171074370.db2.gz YYHUPIVYDBDDID-UHFFFAOYSA-N 0 3 153.225 2.356 10 0 AEAEHN CNc1ccc(CN2CCCCC2)o1 39126923 171075942 /nfs/dbraw/zinc/07/59/42/171075942.db2.gz XINMYDPYWQUKCE-UHFFFAOYSA-N 0 3 194.278 2.307 10 0 AEAEHN CCCc1ncc(CNCC)s1 40996644 171081552 /nfs/dbraw/zinc/08/15/52/171081552.db2.gz OCLCZPHGXNZZOB-UHFFFAOYSA-N 0 3 184.308 2.205 10 0 AEAEHN CCCc1ncc(CNC2CC2)s1 40996808 171081723 /nfs/dbraw/zinc/08/17/23/171081723.db2.gz UMKAIUOUEIXMNN-UHFFFAOYSA-N 0 3 196.319 2.348 10 0 AEAEHN Cc1ccccc1C(=O)CNC(C)C 82530429 171086193 /nfs/dbraw/zinc/08/61/93/171086193.db2.gz HUZMNHPLBVWKCS-UHFFFAOYSA-N 0 3 191.274 2.176 10 0 AEAEHN CCCc1ncsc1CNC1CC1 82426310 171086221 /nfs/dbraw/zinc/08/62/21/171086221.db2.gz RRYMJHITMUSEOQ-UHFFFAOYSA-N 0 3 196.319 2.348 10 0 AEAEHN CC(C)O[C@@H](CN)c1ccsc1 43124981 171087643 /nfs/dbraw/zinc/08/76/43/171087643.db2.gz VOSKRARTNDXWKP-VIFPVBQESA-N 0 3 185.292 2.173 10 0 AEAEHN C[C@H]1CN=Cc2ccccc21 39407150 171089077 /nfs/dbraw/zinc/08/90/77/171089077.db2.gz WYKKMLDQCFENNJ-QMMMGPOBSA-N 0 3 145.205 2.223 10 0 AEAEHN CC1(C)CO[C@@H](c2ccsc2)CN1 50339955 171095719 /nfs/dbraw/zinc/09/57/19/171095719.db2.gz VPOGLYQNZCAWHF-SECBINFHSA-N 0 3 197.303 2.188 10 0 AEAEHN CC1(C)CO[C@H](c2ccsc2)CN1 50339953 171095791 /nfs/dbraw/zinc/09/57/91/171095791.db2.gz VPOGLYQNZCAWHF-VIFPVBQESA-N 0 3 197.303 2.188 10 0 AEAEHN CCCc1ncc([C@@H](C)N)s1 54159360 171098525 /nfs/dbraw/zinc/09/85/25/171098525.db2.gz DNGSHIBEMCSRSJ-ZCFIWIBFSA-N 0 3 170.281 2.115 10 0 AEAEHN CCCc1ncc([C@H](C)N)s1 54159361 171098699 /nfs/dbraw/zinc/09/86/99/171098699.db2.gz DNGSHIBEMCSRSJ-LURJTMIESA-N 0 3 170.281 2.115 10 0 AEAEHN NCc1ccc2cccc(Cl)c2n1 62567699 171102925 /nfs/dbraw/zinc/10/29/25/171102925.db2.gz QFYUTOGBDCMMMB-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN Cc1ccccc1N[C@H]1CCN(C)C1 61984696 171102969 /nfs/dbraw/zinc/10/29/69/171102969.db2.gz JBROHDJYHHYKNC-NSHDSACASA-N 0 3 190.290 2.111 10 0 AEAEHN Cc1ccccc1N[C@@H]1CCN(C)C1 61984695 171103146 /nfs/dbraw/zinc/10/31/46/171103146.db2.gz JBROHDJYHHYKNC-LLVKDONJSA-N 0 3 190.290 2.111 10 0 AEAEHN NC1(c2ccc3ccccc3n2)CC1 63076584 171103799 /nfs/dbraw/zinc/10/37/99/171103799.db2.gz PDWBIYDGJUSGPX-UHFFFAOYSA-N 0 3 184.242 2.183 10 0 AEAEHN CC(C)c1ccnc([C@@H]2CCCN2)n1 70951587 171106424 /nfs/dbraw/zinc/10/64/24/171106424.db2.gz QHQFBMUXVZLIOR-JTQLQIEISA-N 0 3 191.278 2.025 10 0 AEAEHN CC(C)c1ccnc([C@H]2CCCN2)n1 70951592 171106752 /nfs/dbraw/zinc/10/67/52/171106752.db2.gz QHQFBMUXVZLIOR-SNVBAGLBSA-N 0 3 191.278 2.025 10 0 AEAEHN NC1(c2ccc(Cl)s2)CC1 71496759 171107838 /nfs/dbraw/zinc/10/78/38/171107838.db2.gz XRYKKMNUVHKNLA-UHFFFAOYSA-N 0 3 173.668 2.349 10 0 AEAEHN COc1ccccc1[C@@H](N)C1(C)CC1 71505882 171107997 /nfs/dbraw/zinc/10/79/97/171107997.db2.gz MFNYWBMUXASNLI-LLVKDONJSA-N 0 3 191.274 2.495 10 0 AEAEHN Cc1ccccc1[C@@H]1CNC(C)(C)O1 71505792 171108086 /nfs/dbraw/zinc/10/80/86/171108086.db2.gz REDPENVXYDJTPF-NSHDSACASA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1ccccc1[C@@H]1NCC(C)(C)O1 71505790 171108104 /nfs/dbraw/zinc/10/81/04/171108104.db2.gz DYQRESJECYBIDT-LLVKDONJSA-N 0 3 191.274 2.392 10 0 AEAEHN Oc1ccc(F)c([C@@H]2CCCCN2)c1 75905848 171115496 /nfs/dbraw/zinc/11/54/96/171115496.db2.gz IYALRYLODMPRBF-NSHDSACASA-N 0 3 195.237 2.346 10 0 AEAEHN c1c(C2CC2)n[nH]c1[C@@H]1CCCCN1 75905890 171115604 /nfs/dbraw/zinc/11/56/04/171115604.db2.gz VTHUYMAPZZDMLL-VIFPVBQESA-N 0 3 191.278 2.102 10 0 AEAEHN Nc1ccc(F)cc1[C@H]1CCCCN1 75869380 171115642 /nfs/dbraw/zinc/11/56/42/171115642.db2.gz NPMRKJOVYLDJPB-LLVKDONJSA-N 0 3 194.253 2.223 10 0 AEAEHN CN1CCC(c2ccccc2O)CC1 75905926 171115645 /nfs/dbraw/zinc/11/56/45/171115645.db2.gz XUGKPGCTPLRUDX-UHFFFAOYSA-N 0 3 191.274 2.201 10 0 AEAEHN Oc1ccc(F)c([C@H]2CCCCN2)c1 75905851 171115812 /nfs/dbraw/zinc/11/58/12/171115812.db2.gz IYALRYLODMPRBF-LLVKDONJSA-N 0 3 195.237 2.346 10 0 AEAEHN c1c(C2CC2)n[nH]c1[C@H]1CCCCN1 75905892 171115913 /nfs/dbraw/zinc/11/59/13/171115913.db2.gz VTHUYMAPZZDMLL-SECBINFHSA-N 0 3 191.278 2.102 10 0 AEAEHN [O-]c1cccc([C@@H]2CCCC[NH2+]2)c1F 75905852 171115919 /nfs/dbraw/zinc/11/59/19/171115919.db2.gz VKGLHXBEXPUJOT-VIFPVBQESA-N 0 3 195.237 2.346 10 0 AEAEHN Nc1ccc(F)cc1[C@@H]1CCCCN1 75869379 171115980 /nfs/dbraw/zinc/11/59/80/171115980.db2.gz NPMRKJOVYLDJPB-NSHDSACASA-N 0 3 194.253 2.223 10 0 AEAEHN [O-]c1cccc([C@H]2CCCC[NH2+]2)c1F 75905853 171115985 /nfs/dbraw/zinc/11/59/85/171115985.db2.gz VKGLHXBEXPUJOT-SECBINFHSA-N 0 3 195.237 2.346 10 0 AEAEHN NC1(c2ccc(F)c(F)c2F)CC1 75934162 171116517 /nfs/dbraw/zinc/11/65/17/171116517.db2.gz YWJXOJANPUQXCG-UHFFFAOYSA-N 0 3 187.164 2.052 10 0 AEAEHN NC1(c2c(F)ccc(F)c2F)CC1 75934164 171116554 /nfs/dbraw/zinc/11/65/54/171116554.db2.gz AUGJCZKFFROJPP-UHFFFAOYSA-N 0 3 187.164 2.052 10 0 AEAEHN NC1(c2c(F)cc(F)cc2F)CC1 75934161 171116703 /nfs/dbraw/zinc/11/67/03/171116703.db2.gz GHJYBOFYSZPVDG-UHFFFAOYSA-N 0 3 187.164 2.052 10 0 AEAEHN CC(C)(C)Sc1cccc(CN)n1 81596383 171121029 /nfs/dbraw/zinc/12/10/29/171121029.db2.gz MBXQVFGEESSGRX-UHFFFAOYSA-N 0 3 196.319 2.431 10 0 AEAEHN CC(C)c1ccsc1CN 83268805 171128840 /nfs/dbraw/zinc/12/88/40/171128840.db2.gz BJFYOTREJPNXSK-UHFFFAOYSA-N 0 3 155.266 2.330 10 0 AEAEHN F[C@@H]1CCNCc2ccsc21 91305643 171134724 /nfs/dbraw/zinc/13/47/24/171134724.db2.gz MLJFSJFTDDGILB-SSDOTTSWSA-N 0 3 171.240 2.252 10 0 AEAEHN CC(C)O[C@@H](CN)c1cccs1 43109748 171149876 /nfs/dbraw/zinc/14/98/76/171149876.db2.gz HCXMXQJWPSQAHQ-QMMMGPOBSA-N 0 3 185.292 2.173 10 0 AEAEHN CC(C)O[C@H](CN)c1ccsc1 43124982 171149999 /nfs/dbraw/zinc/14/99/99/171149999.db2.gz VOSKRARTNDXWKP-SECBINFHSA-N 0 3 185.292 2.173 10 0 AEAEHN CC(C)O[C@H](CN)c1cccs1 43109752 171150128 /nfs/dbraw/zinc/15/01/28/171150128.db2.gz HCXMXQJWPSQAHQ-MRVPVSSYSA-N 0 3 185.292 2.173 10 0 AEAEHN CC(C)O[C@H](c1ccco1)[C@@H](C)N 43337260 171150440 /nfs/dbraw/zinc/15/04/40/171150440.db2.gz VCDJTJYAIPMZKN-SCZZXKLOSA-N 0 3 183.251 2.093 10 0 AEAEHN CC(C)O[C@@H](c1ccco1)[C@@H](C)N 43337259 171150581 /nfs/dbraw/zinc/15/05/81/171150581.db2.gz VCDJTJYAIPMZKN-PSASIEDQSA-N 0 3 183.251 2.093 10 0 AEAEHN CCN(CC)[C@@H](c1ccco1)[C@H](C)N 43334319 171150674 /nfs/dbraw/zinc/15/06/74/171150674.db2.gz DEZBZLRCFRROAX-GXSJLCMTSA-N 0 3 196.294 2.010 10 0 AEAEHN CCN(CC)[C@@H](c1ccco1)[C@@H](C)N 43334317 171150700 /nfs/dbraw/zinc/15/07/00/171150700.db2.gz DEZBZLRCFRROAX-MWLCHTKSSA-N 0 3 196.294 2.010 10 0 AEAEHN CC(C)O[C@H](c1ccco1)[C@H](C)N 43337262 171150896 /nfs/dbraw/zinc/15/08/96/171150896.db2.gz VCDJTJYAIPMZKN-WPRPVWTQSA-N 0 3 183.251 2.093 10 0 AEAEHN CC(C)O[C@@H](c1ccco1)[C@H](C)N 43337261 171151097 /nfs/dbraw/zinc/15/10/97/171151097.db2.gz VCDJTJYAIPMZKN-WCBMZHEXSA-N 0 3 183.251 2.093 10 0 AEAEHN c1c[nH]c(CNCc2cccs2)c1 48436046 171153702 /nfs/dbraw/zinc/15/37/02/171153702.db2.gz RWOWDFRLHVYGDN-UHFFFAOYSA-N 0 3 192.287 2.366 10 0 AEAEHN c1cc(CCNc2ccncc2)ccn1 48262706 171153780 /nfs/dbraw/zinc/15/37/80/171153780.db2.gz KUKNHSSDRGVVHJ-UHFFFAOYSA-N 0 3 199.257 2.131 10 0 AEAEHN c1c[nH]c(CNCCC2CCCC2)n1 49715492 171154247 /nfs/dbraw/zinc/15/42/47/171154247.db2.gz ZFNNRBCFMUCYNB-UHFFFAOYSA-N 0 3 193.294 2.080 10 0 AEAEHN CC(C)(C)C(=O)CN1C[C@H]2CC[C@@H]1C2 49716373 171154523 /nfs/dbraw/zinc/15/45/23/171154523.db2.gz BRGKKMSKUKYTHP-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN CCCCCCNCc1nccn1C 49753075 171154949 /nfs/dbraw/zinc/15/49/49/171154949.db2.gz VULCTGUXZLJKBE-UHFFFAOYSA-N 0 3 195.310 2.090 10 0 AEAEHN CC[C@@H]1CCN(Cc2cncs2)C1 306148865 171156569 /nfs/dbraw/zinc/15/65/69/171156569.db2.gz CVYCWXAWJMLXDH-SECBINFHSA-N 0 3 196.319 2.375 10 0 AEAEHN c1cc(CN2CCC23CCC3)c[nH]1 306301772 171157161 /nfs/dbraw/zinc/15/71/61/171157161.db2.gz ZOGLPEDYTXBKKR-UHFFFAOYSA-N 0 3 176.263 2.143 10 0 AEAEHN F[C@@H]1CCCC[C@H]1NCc1cc[nH]c1 306372128 171158301 /nfs/dbraw/zinc/15/83/01/171158301.db2.gz CVLLWQPCHRBLRJ-GHMZBOCLSA-N 0 3 196.269 2.385 10 0 AEAEHN COc1ccccc1CN[C@@H]1C[C@@H]1C 52269507 171162276 /nfs/dbraw/zinc/16/22/76/171162276.db2.gz ULSHMKLVOXMQAA-GXSJLCMTSA-N 0 3 191.274 2.193 10 0 AEAEHN COc1ccccc1CN[C@H]1C[C@@H]1C 52269503 171162402 /nfs/dbraw/zinc/16/24/02/171162402.db2.gz ULSHMKLVOXMQAA-ONGXEEELSA-N 0 3 191.274 2.193 10 0 AEAEHN COc1ccccc1CN[C@H]1C[C@H]1C 52269499 171162494 /nfs/dbraw/zinc/16/24/94/171162494.db2.gz ULSHMKLVOXMQAA-KOLCDFICSA-N 0 3 191.274 2.193 10 0 AEAEHN COc1ccccc1CN[C@@H]1C[C@H]1C 52269506 171162550 /nfs/dbraw/zinc/16/25/50/171162550.db2.gz ULSHMKLVOXMQAA-MWLCHTKSSA-N 0 3 191.274 2.193 10 0 AEAEHN CCCN[C@@H](C)C(=O)c1ccccc1 1610670 171162678 /nfs/dbraw/zinc/16/26/78/171162678.db2.gz GXPFWFAQFTVCDU-JTQLQIEISA-N 0 3 191.274 2.257 10 0 in-vitro AEAEHN c1ccc(CN2CCC23CCC3)nc1 334908517 171163416 /nfs/dbraw/zinc/16/34/16/171163416.db2.gz VMMZILQIIUVNEY-UHFFFAOYSA-N 0 3 188.274 2.210 10 0 AEAEHN c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 13760751 171166770 /nfs/dbraw/zinc/16/67/70/171166770.db2.gz NFSIDEIKDWWMOX-UHFFFAOYSA-N 0 3 199.217 2.030 10 0 in-vivo AEAEHN NCc1ccc2cc(Cl)ccc2n1 40539040 171166974 /nfs/dbraw/zinc/16/69/74/171166974.db2.gz WHSHMXLCBVHPPP-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN Cc1ccccc1[C@@H](N)COC(C)C 19281153 171168026 /nfs/dbraw/zinc/16/80/26/171168026.db2.gz JGDJXVKHVDTVIG-LBPRGKRZSA-N 0 3 193.290 2.420 10 0 AEAEHN CO[C@@H](C(C)C)[C@@H](N)c1ccccc1 19257512 171168065 /nfs/dbraw/zinc/16/80/65/171168065.db2.gz QNYOMWUHMQBUMF-RYUDHWBXSA-N 0 3 193.290 2.357 10 0 AEAEHN Cc1ccccc1[C@H](N)COC(C)C 19281150 171168265 /nfs/dbraw/zinc/16/82/65/171168265.db2.gz JGDJXVKHVDTVIG-GFCCVEGCSA-N 0 3 193.290 2.420 10 0 AEAEHN CO[C@@H](C(C)C)[C@H](N)c1ccccc1 19257516 171168331 /nfs/dbraw/zinc/16/83/31/171168331.db2.gz QNYOMWUHMQBUMF-NEPJUHHUSA-N 0 3 193.290 2.357 10 0 AEAEHN c1c(C2CCCC2)[nH]c2c1CCNC2 82390244 171169312 /nfs/dbraw/zinc/16/93/12/171169312.db2.gz HCNOJGNUKXQPFV-UHFFFAOYSA-N 0 3 190.290 2.318 10 0 AEAEHN c1c(C2CCCC2)[nH]c2c1CNCC2 82390281 171169434 /nfs/dbraw/zinc/16/94/34/171169434.db2.gz JBLFLVGRDIIRNE-UHFFFAOYSA-N 0 3 190.290 2.318 10 0 AEAEHN c1cc(C2CCCC2)n2c1CNCC2 82390241 171169685 /nfs/dbraw/zinc/16/96/85/171169685.db2.gz PGIQRMBCZWTOAZ-UHFFFAOYSA-N 0 3 190.290 2.249 10 0 AEAEHN CCCc1ncc([C@@H](C)NC)s1 54159548 171169953 /nfs/dbraw/zinc/16/99/53/171169953.db2.gz MRGAIQHMEQUTIU-SSDOTTSWSA-N 0 3 184.308 2.376 10 0 AEAEHN CCCc1ncc([C@H](C)NC)s1 54159549 171170350 /nfs/dbraw/zinc/17/03/50/171170350.db2.gz MRGAIQHMEQUTIU-ZETCQYMHSA-N 0 3 184.308 2.376 10 0 AEAEHN c1c(C2CCCC2)[nH]c2c1CNC2 82398592 171170908 /nfs/dbraw/zinc/17/09/08/171170908.db2.gz BMWPZOMVKHXHBH-UHFFFAOYSA-N 0 3 176.263 2.276 10 0 AEAEHN COc1ccccc1[C@@H](N)CSC 54495089 171173567 /nfs/dbraw/zinc/17/35/67/171173567.db2.gz GECOFEOSSJXFCX-VIFPVBQESA-N 0 3 197.303 2.058 10 0 AEAEHN NC1(c2cc(F)ccc2Cl)CC1 82878721 171176194 /nfs/dbraw/zinc/17/61/94/171176194.db2.gz BZPSAMQIERFMFI-UHFFFAOYSA-N 0 3 185.629 2.427 10 0 AEAEHN Cc1ccnc(C2(N)CCCC2)c1 82873975 171176337 /nfs/dbraw/zinc/17/63/37/171176337.db2.gz MPUAZZYFJQRGBT-UHFFFAOYSA-N 0 3 176.263 2.118 10 0 AEAEHN CCCc1ncc([C@@H](C)NC)c(C)n1 54962712 171176446 /nfs/dbraw/zinc/17/64/46/171176446.db2.gz URQRIEJLVKVIJM-MRVPVSSYSA-N 0 3 193.294 2.018 10 0 AEAEHN CCCc1ncc([C@H](C)NC)c(C)n1 54962713 171176552 /nfs/dbraw/zinc/17/65/52/171176552.db2.gz URQRIEJLVKVIJM-QMMMGPOBSA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1ccccc1[C@@H]1OCCN[C@@H]1C 82890174 171177040 /nfs/dbraw/zinc/17/70/40/171177040.db2.gz KTZIYKHTKRSEOE-ZYHUDNBSSA-N 0 3 191.274 2.044 10 0 AEAEHN COc1ccc2c(C)coc2c1CN 82889370 171177083 /nfs/dbraw/zinc/17/70/83/171177083.db2.gz VYGXCTNNRGFSDG-UHFFFAOYSA-N 0 3 191.230 2.209 10 0 AEAEHN Cc1ccccc1[C@@H]1CCOCCN1 82889987 171177127 /nfs/dbraw/zinc/17/71/27/171177127.db2.gz XZTBJZXFNPFLNJ-LBPRGKRZSA-N 0 3 191.274 2.046 10 0 AEAEHN [NH3+]C1(c2ccc([O-])cc2Cl)CCC1 82910936 171177288 /nfs/dbraw/zinc/17/72/88/171177288.db2.gz ZNLQBSBLZCWTDE-UHFFFAOYSA-N 0 3 197.665 2.384 10 0 AEAEHN Cc1ccccc1[C@@H]1COCCCN1 82889989 171177297 /nfs/dbraw/zinc/17/72/97/171177297.db2.gz HSCAGNZCKAGSLR-LBPRGKRZSA-N 0 3 191.274 2.046 10 0 AEAEHN NC1(c2cscn2)CCCCC1 82887212 171177365 /nfs/dbraw/zinc/17/73/65/171177365.db2.gz JKIDYUYFYBUYTD-UHFFFAOYSA-N 0 3 182.292 2.261 10 0 AEAEHN Cc1ccccc1[C@@H]1OCCN[C@H]1C 82890172 171177458 /nfs/dbraw/zinc/17/74/58/171177458.db2.gz KTZIYKHTKRSEOE-CMPLNLGQSA-N 0 3 191.274 2.044 10 0 AEAEHN c1c[nH]c(CNc2ccncc2)c1 83340162 171180748 /nfs/dbraw/zinc/18/07/48/171180748.db2.gz GLIXYLXGBUFCJA-UHFFFAOYSA-N 0 3 173.219 2.022 10 0 AEAEHN NC1(c2csc(C3CCC3)n2)CC1 83279864 171180998 /nfs/dbraw/zinc/18/09/98/171180998.db2.gz XVPZRYVKRWTXLZ-UHFFFAOYSA-N 0 3 194.303 2.358 10 0 AEAEHN Oc1ccc(CNC2CC2)c(Cl)c1 83342848 171181782 /nfs/dbraw/zinc/18/17/82/171181782.db2.gz YHXZDWZDXBVPNF-UHFFFAOYSA-N 0 3 197.665 2.298 10 0 AEAEHN Oc1cccc(CN[C@H]2CC23CC3)c1 335284155 171183972 /nfs/dbraw/zinc/18/39/72/171183972.db2.gz DYENYWHEMGGZPO-NSHDSACASA-N 0 3 189.258 2.034 10 0 AEAEHN c1cncc(CN2CCC23CCC3)c1 335797271 171186013 /nfs/dbraw/zinc/18/60/13/171186013.db2.gz XIBPOUCFLNVXLR-UHFFFAOYSA-N 0 3 188.274 2.210 10 0 AEAEHN C[C@H]1CC[C@@H](C)N(Cc2c[nH]cn2)C1 335723356 171186171 /nfs/dbraw/zinc/18/61/71/171186171.db2.gz XYLAFLATCGUYNQ-VHSXEESVSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CC[C@@H](C)N(Cc2cnc[nH]2)C1 335723356 171186172 /nfs/dbraw/zinc/18/61/72/171186172.db2.gz XYLAFLATCGUYNQ-VHSXEESVSA-N 0 3 193.294 2.030 10 0 AEAEHN c1cc(CN2CCC23CCC3)ccn1 334440138 171191609 /nfs/dbraw/zinc/19/16/09/171191609.db2.gz VYYQOSJRJSXMNN-UHFFFAOYSA-N 0 3 188.274 2.210 10 0 AEAEHN CCCc1ncc(C(C)(C)N)s1 62201166 171197849 /nfs/dbraw/zinc/19/78/49/171197849.db2.gz HNXVOTSMUIFRPY-UHFFFAOYSA-N 0 3 184.308 2.289 10 0 AEAEHN NCc1ccc2ccc(Cl)cc2n1 62567701 171198229 /nfs/dbraw/zinc/19/82/29/171198229.db2.gz OUSCMBUQYHHWQZ-UHFFFAOYSA-N 0 3 192.649 2.347 10 0 AEAEHN F[C@@H]1CNCC[C@H]1Cc1ccccc1 96941619 171199458 /nfs/dbraw/zinc/19/94/58/171199458.db2.gz XIFVUJPPJSPIJH-NWDGAFQWSA-N 0 3 193.265 2.177 10 0 AEAEHN Oc1cccc(CN[C@@H]2CC23CC3)c1 335284154 171202186 /nfs/dbraw/zinc/20/21/86/171202186.db2.gz DYENYWHEMGGZPO-LLVKDONJSA-N 0 3 189.258 2.034 10 0 AEAEHN c1cc(CN2CCCC23CCC3)on1 335874242 171205600 /nfs/dbraw/zinc/20/56/00/171205600.db2.gz RLGKGVFRBDZWBY-UHFFFAOYSA-N 0 3 192.262 2.193 10 0 AEAEHN CC[C@@H]1CCN(Cc2conc2C)C1 335975726 171208575 /nfs/dbraw/zinc/20/85/75/171208575.db2.gz JKLPRZSOQVRREN-SNVBAGLBSA-N 0 3 194.278 2.215 10 0 AEAEHN c1cc(CN2CC[C@@H]2C2CC2)ccn1 336215187 171209279 /nfs/dbraw/zinc/20/92/79/171209279.db2.gz ASUJRQUYGIIMHS-GFCCVEGCSA-N 0 3 188.274 2.066 10 0 AEAEHN c1cc(CN2CC[C@H]2C2CC2)ccn1 336215188 171209385 /nfs/dbraw/zinc/20/93/85/171209385.db2.gz ASUJRQUYGIIMHS-LBPRGKRZSA-N 0 3 188.274 2.066 10 0 AEAEHN c1cncc(CN2CC[C@H]2C2CC2)c1 336215430 171209735 /nfs/dbraw/zinc/20/97/35/171209735.db2.gz MHRVUAJBQMGYOI-LBPRGKRZSA-N 0 3 188.274 2.066 10 0 AEAEHN c1cncc(CN2CC[C@@H]2C2CC2)c1 336215429 171209963 /nfs/dbraw/zinc/20/99/63/171209963.db2.gz MHRVUAJBQMGYOI-GFCCVEGCSA-N 0 3 188.274 2.066 10 0 AEAEHN C[C@H]1CC[C@@H](C)N(Cc2ccno2)C1 336427682 171210272 /nfs/dbraw/zinc/21/02/72/171210272.db2.gz RCGPFAILGIKNGH-VHSXEESVSA-N 0 3 194.278 2.295 10 0 AEAEHN C[C@H]1CC[C@@H](C)CN1Cc1ccno1 336427683 171210562 /nfs/dbraw/zinc/21/05/62/171210562.db2.gz RCGPFAILGIKNGH-ZJUUUORDSA-N 0 3 194.278 2.295 10 0 AEAEHN CC1(C)COCCN1C1CCCC1 336344730 171210825 /nfs/dbraw/zinc/21/08/25/171210825.db2.gz ZQBKQKXEPSAVKO-UHFFFAOYSA-N 0 3 183.295 2.040 10 0 AEAEHN CN1CCC[C@@H](Oc2ccccc2)C1 67175862 171219086 /nfs/dbraw/zinc/21/90/86/171219086.db2.gz ZDRSBLWRKCVNAM-GFCCVEGCSA-N 0 3 191.274 2.160 10 0 AEAEHN CN1CCC(O)(C2CCCCC2)CC1 5966311 171222074 /nfs/dbraw/zinc/22/20/74/171222074.db2.gz BTPYUMGLCZLDHO-UHFFFAOYSA-N 0 3 197.322 2.023 10 0 AEAEHN CCCc1ncsc1CNCC 82426307 171222721 /nfs/dbraw/zinc/22/27/21/171222721.db2.gz ZUIZXJNXNNVHHO-UHFFFAOYSA-N 0 3 184.308 2.205 10 0 AEAEHN CN1CCC=C(c2ccccc2)C1 32211732 171225519 /nfs/dbraw/zinc/22/55/19/171225519.db2.gz QKROHGALCSHSER-UHFFFAOYSA-N 0 3 173.259 2.406 10 0 AEAEHN NC[C@H](F)c1ccc(Cl)cc1F 156372704 344083943 /nfs/dbraw/zinc/08/39/43/344083943.db2.gz IPLOGFLPPBGUQP-QMMMGPOBSA-N 0 3 191.608 2.448 10 0 AEAEHN NC[C@@](F)(c1cccs1)C1CC1 156512806 344089350 /nfs/dbraw/zinc/08/93/50/344089350.db2.gz DZHTUQQKHYZRBN-VIFPVBQESA-N 0 3 185.267 2.282 10 0 AEAEHN CC(C)[C@](F)(CN)c1ccoc1 156498031 344089679 /nfs/dbraw/zinc/08/96/79/344089679.db2.gz XJSJLBJDGSMARF-SECBINFHSA-N 0 3 171.215 2.059 10 0 AEAEHN CCC[C@@](C)(N)c1ccc(F)cn1 150203870 344078423 /nfs/dbraw/zinc/07/84/23/344078423.db2.gz ANWDVPZYHIAZOB-SNVBAGLBSA-N 0 3 182.242 2.195 10 0 AEAEHN C[C@H](C1CC1)[C@@H](N)c1ccncc1F 156835562 344096781 /nfs/dbraw/zinc/09/67/81/344096781.db2.gz GEHJOGWRLLKOGY-RDDDGLTNSA-N 0 3 194.253 2.267 10 0 AEAEHN C[C@H]1CN[C@H]1c1ccccc1F 157274709 344102727 /nfs/dbraw/zinc/10/27/27/344102727.db2.gz ZVALMZVYPBYBMW-OIBJUYFYSA-N 0 3 165.211 2.106 10 0 AEAEHN C[C@H]1CN[C@@H]1c1ccccc1F 157274407 344102743 /nfs/dbraw/zinc/10/27/43/344102743.db2.gz ZVALMZVYPBYBMW-XVKPBYJWSA-N 0 3 165.211 2.106 10 0 AEAEHN N[C@@H](c1ccncc1F)C1CCC1 157443783 344107218 /nfs/dbraw/zinc/10/72/18/344107218.db2.gz NPXHQUKIACMKPM-SNVBAGLBSA-N 0 3 180.226 2.021 10 0 AEAEHN COc1cnccc1[C@H](N)C=C(C)C 157783993 344114184 /nfs/dbraw/zinc/11/41/84/344114184.db2.gz CXFLYUGDAZFHEI-SNVBAGLBSA-N 0 3 192.262 2.056 10 0 AEAEHN NC[C@H](F)c1cccc2cccnc12 158073218 344117943 /nfs/dbraw/zinc/11/79/43/344117943.db2.gz LGOKRBBDQOUZOF-JTQLQIEISA-N 0 3 190.221 2.204 10 0 AEAEHN NC[C@H](F)c1ccc(F)c(F)c1F 158073813 344117961 /nfs/dbraw/zinc/11/79/61/344117961.db2.gz HOXHUVRXIPUMCR-LURJTMIESA-N 0 3 193.143 2.073 10 0 AEAEHN NC[C@H](F)c1cccc2[nH]ccc12 158080386 344117964 /nfs/dbraw/zinc/11/79/64/344117964.db2.gz RFUGZSHLOBJKPD-VIFPVBQESA-N 0 3 178.210 2.137 10 0 AEAEHN NC[C@@H](F)c1cccc2cnccc12 158082902 344117974 /nfs/dbraw/zinc/11/79/74/344117974.db2.gz PTKPAPMVXWYMME-LLVKDONJSA-N 0 3 190.221 2.204 10 0 AEAEHN C[C@@](F)(CN)Cc1ccccc1F 158245684 344122741 /nfs/dbraw/zinc/12/27/41/344122741.db2.gz BHZAJUVEHCYLQS-JTQLQIEISA-N 0 3 185.217 2.055 10 0 AEAEHN Cc1ccccc1C[C@@](C)(F)CN 158255536 344122747 /nfs/dbraw/zinc/12/27/47/344122747.db2.gz NDKWBIFTZBHNNF-LLVKDONJSA-N 0 3 181.254 2.224 10 0 AEAEHN Cc1ccc(F)c([C@@](C)(F)CN)c1 158238918 344122756 /nfs/dbraw/zinc/12/27/56/344122756.db2.gz HNTWRCPKJUVOAH-JTQLQIEISA-N 0 3 185.217 2.278 10 0 AEAEHN CCc1ccc([C@@](C)(F)CN)cc1 158241993 344122764 /nfs/dbraw/zinc/12/27/64/344122764.db2.gz SOXJWQDKPHJXAH-NSHDSACASA-N 0 3 181.254 2.392 10 0 AEAEHN CCc1ccc([C@](C)(F)CN)cc1 158241853 344122768 /nfs/dbraw/zinc/12/27/68/344122768.db2.gz SOXJWQDKPHJXAH-LLVKDONJSA-N 0 3 181.254 2.392 10 0 AEAEHN NC[C@](F)(c1cccc(F)c1)C1CC1 158417052 344126407 /nfs/dbraw/zinc/12/64/07/344126407.db2.gz ISVKWNBIHSITBQ-LLVKDONJSA-N 0 3 197.228 2.359 10 0 AEAEHN NC[C@@](F)(c1ccccc1F)C1CC1 158408495 344126598 /nfs/dbraw/zinc/12/65/98/344126598.db2.gz ZXTZLJGITJAFTB-NSHDSACASA-N 0 3 197.228 2.359 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC2(C)C)cn1 158160058 344120662 /nfs/dbraw/zinc/12/06/62/344120662.db2.gz XLEVQQFVAYFHKS-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1ccccc1F 161010585 344183434 /nfs/dbraw/zinc/18/34/34/344183434.db2.gz UUIZHAPYVVPRLN-GZMMTYOYSA-N 0 3 179.238 2.410 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1ccccc1F 161010455 344183436 /nfs/dbraw/zinc/18/34/36/344183436.db2.gz UUIZHAPYVVPRLN-LDYMZIIASA-N 0 3 179.238 2.410 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1occc1C 161273439 344188179 /nfs/dbraw/zinc/18/81/79/344188179.db2.gz ZTGJDYHWQNOYQV-PSASIEDQSA-N 0 3 165.236 2.172 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1occc1C 161273829 344188191 /nfs/dbraw/zinc/18/81/91/344188191.db2.gz ZTGJDYHWQNOYQV-WPRPVWTQSA-N 0 3 165.236 2.172 10 0 AEAEHN Cc1ccc([C@H](N)[C@H]2CO[C@@H](C)C2)o1 162023397 344202608 /nfs/dbraw/zinc/20/26/08/344202608.db2.gz RIRCHEMWYYLZQZ-IQJOONFLSA-N 0 3 195.262 2.013 10 0 AEAEHN N[C@H](CC1CCCC1)c1cnsn1 162544060 344209981 /nfs/dbraw/zinc/20/99/81/344209981.db2.gz QJCGBISXXKCLOB-MRVPVSSYSA-N 0 3 197.307 2.118 10 0 AEAEHN Cc1ncsc1[C@@H](N)C(C)(C)C 162765663 344213730 /nfs/dbraw/zinc/21/37/30/344213730.db2.gz PBPFZLKLBFRKKD-MRVPVSSYSA-N 0 3 184.308 2.497 10 0 AEAEHN C[C@H](N1CCC(=O)C[C@H]1C)C(C)(C)C 162815993 344214591 /nfs/dbraw/zinc/21/45/91/344214591.db2.gz SCRTWAIXOOCKQY-ZJUUUORDSA-N 0 3 197.322 2.474 10 0 AEAEHN CC[C@](N)(c1ccc(F)cn1)C(C)C 163221402 344220928 /nfs/dbraw/zinc/22/09/28/344220928.db2.gz KDSDLSIVZQWOJC-LLVKDONJSA-N 0 3 196.269 2.441 10 0 AEAEHN CC[C@@](N)(c1ccc(F)cn1)C(C)C 163221284 344220988 /nfs/dbraw/zinc/22/09/88/344220988.db2.gz KDSDLSIVZQWOJC-NSHDSACASA-N 0 3 196.269 2.441 10 0 AEAEHN Cc1cc(F)cc2c1CSC[C@@H]2N 163461274 344223484 /nfs/dbraw/zinc/22/34/84/344223484.db2.gz FUEPTZDYJRLFSL-JTQLQIEISA-N 0 3 197.278 2.381 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1cccnc1Cl 163883919 344232245 /nfs/dbraw/zinc/23/22/45/344232245.db2.gz GDUJTBBUFBAGMW-APPZFPTMSA-N 0 3 196.681 2.233 10 0 AEAEHN CN[C@H](c1occc1C)C1CC1 163924235 344233103 /nfs/dbraw/zinc/23/31/03/344233103.db2.gz ARBBTMVUMZILDR-VIFPVBQESA-N 0 3 165.236 2.259 10 0 AEAEHN CC(C)=C[C@@H](N)c1cccnc1C 164023823 344234907 /nfs/dbraw/zinc/23/49/07/344234907.db2.gz ZLKUAPIMPVJHQQ-LLVKDONJSA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)=C[C@H](N)c1scnc1C 164022338 344235077 /nfs/dbraw/zinc/23/50/77/344235077.db2.gz YSRBNKCJUYARNU-QMMMGPOBSA-N 0 3 182.292 2.418 10 0 AEAEHN CN[C@@H](C=C(C)C)c1cncc(F)c1 164055344 344235892 /nfs/dbraw/zinc/23/58/92/344235892.db2.gz OKAIJUSTBQGACR-NSHDSACASA-N 0 3 194.253 2.447 10 0 AEAEHN CC(C)=C[C@@H](N)c1cncc(F)c1 164061142 344236340 /nfs/dbraw/zinc/23/63/40/344236340.db2.gz UWHVJJJBPHPQCS-SNVBAGLBSA-N 0 3 180.226 2.187 10 0 AEAEHN CCC1(Nc2cccc(N)n2)CCC1 164098179 344237036 /nfs/dbraw/zinc/23/70/36/344237036.db2.gz WSANJKCXQYVSPN-UHFFFAOYSA-N 0 3 191.278 2.408 10 0 AEAEHN CCC(C)(CC)NCc1ccn(C)n1 164094670 344237045 /nfs/dbraw/zinc/23/70/45/344237045.db2.gz QBEVDLCOSSHFFZ-UHFFFAOYSA-N 0 3 195.310 2.088 10 0 AEAEHN CC(C)(N)c1csc(C2(C)CC2)n1 165235181 344260609 /nfs/dbraw/zinc/26/06/09/344260609.db2.gz ICDOQPLCAHBWGX-UHFFFAOYSA-N 0 3 196.319 2.388 10 0 AEAEHN CC[C@H](N)c1csc(C2CC2)n1 165333563 344262357 /nfs/dbraw/zinc/26/23/57/344262357.db2.gz MAXGSBUTEASZMH-ZETCQYMHSA-N 0 3 182.292 2.430 10 0 AEAEHN CCn1nc(C)cc1[C@H](N)C1CCC1 165350927 344262616 /nfs/dbraw/zinc/26/26/16/344262616.db2.gz GCPJNIJOWBZXFO-LLVKDONJSA-N 0 3 193.294 2.011 10 0 AEAEHN CC[C@H](C)[C@H](N)c1csc(NC)n1 165418791 344263295 /nfs/dbraw/zinc/26/32/95/344263295.db2.gz ANUMQMJJLPNWPI-XPUUQOCRSA-N 0 3 199.323 2.231 10 0 AEAEHN C[C@@H]1C[C@H]1c1nc(C2(N)CC2)cs1 165597554 344267118 /nfs/dbraw/zinc/26/71/18/344267118.db2.gz RELJYKCPXSLOPJ-RNFRBKRXSA-N 0 3 194.303 2.214 10 0 AEAEHN C[C@H]1C[C@@H]1c1nc(C(C)(C)N)cs1 165611377 344267136 /nfs/dbraw/zinc/26/71/36/344267136.db2.gz VXQZHPCXOUZUJQ-BQBZGAKWSA-N 0 3 196.319 2.460 10 0 AEAEHN CC(C)(C)c1ccc([C@@H](N)CN)s1 166069677 344274288 /nfs/dbraw/zinc/27/42/88/344274288.db2.gz NSOOSKSAHHWKNH-ZETCQYMHSA-N 0 3 198.335 2.004 10 0 AEAEHN CNc1ccnc(CNC(C)(C)C)c1 166292711 344278259 /nfs/dbraw/zinc/27/82/59/344278259.db2.gz CDSPJOQIKMOOCR-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CNc1ncccc1CNC(C)(C)C 166288906 344278463 /nfs/dbraw/zinc/27/84/63/344278463.db2.gz GKQIOXLJMVPGMC-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CNc1ccncc1CNC(C)(C)C 166298694 344278481 /nfs/dbraw/zinc/27/84/81/344278481.db2.gz FEDGNUNOWINWAF-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CC(C)[C@H]1CCN([C@@H]2CCCC2=O)C1 166453031 344282141 /nfs/dbraw/zinc/28/21/41/344282141.db2.gz FUVUJYRSFIAIRG-WDEREUQCSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1C[C@H]1CNc1ccncc1 167124063 344297960 /nfs/dbraw/zinc/29/79/60/344297960.db2.gz PUPHFXSVERPCFS-BDAKNGLRSA-N 0 3 162.236 2.150 10 0 AEAEHN CC[C@@H](C)C(=O)C1(N)CCCCC1 167876752 344316248 /nfs/dbraw/zinc/31/62/48/344316248.db2.gz BSSFJWVINDKJEF-SECBINFHSA-N 0 3 183.295 2.263 10 0 AEAEHN CC[C@H](C)[C@@H](C)N1CCC(=O)[C@@H](C)C1 219739128 344427775 /nfs/dbraw/zinc/42/77/75/344427775.db2.gz YQQLCBUKYOHHRA-GARJFASQSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)C[C@@H](C)N1CCC(=O)C[C@@H]1C 219800825 344428404 /nfs/dbraw/zinc/42/84/04/344428404.db2.gz UOIRHWIDGABSES-MNOVXSKESA-N 0 3 197.322 2.474 10 0 AEAEHN CC(C)C(=O)CN1CC[C@@H](C)C[C@@H]1C 221709667 344445641 /nfs/dbraw/zinc/44/56/41/344445641.db2.gz KPXMDPPGADTGGD-MNOVXSKESA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@H](C)N1CCC(=O)[C@@H](C)[C@@H]1C 221799371 344446232 /nfs/dbraw/zinc/44/62/32/344446232.db2.gz XEGFAQKQALYUMA-GUBZILKMSA-N 0 3 183.295 2.084 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC[C@@H](C)[C@@H]1C 224483302 344469687 /nfs/dbraw/zinc/46/96/87/344469687.db2.gz USOANBNRZRLTMV-VWYCJHECSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@@H](C)C[C@@H]1C 225742269 344485829 /nfs/dbraw/zinc/48/58/29/344485829.db2.gz GZGPKWXYLMGWHP-UTLUCORTSA-N 0 3 183.295 2.084 10 0 AEAEHN C[C@@]1(C(=O)c2ccsc2)CCCN1 226489710 344504619 /nfs/dbraw/zinc/50/46/19/344504619.db2.gz SKWMSWHTJXZRNA-JTQLQIEISA-N 0 3 195.287 2.073 10 0 AEAEHN C[C@]1(C(=O)c2cccs2)CCCN1 226493036 344504635 /nfs/dbraw/zinc/50/46/35/344504635.db2.gz JXTNSGBBFUPLKD-SNVBAGLBSA-N 0 3 195.287 2.073 10 0 AEAEHN C[C@@]1(C(=O)c2cccs2)CCCN1 226493031 344504651 /nfs/dbraw/zinc/50/46/51/344504651.db2.gz JXTNSGBBFUPLKD-JTQLQIEISA-N 0 3 195.287 2.073 10 0 AEAEHN C[C@]1(C(=O)c2ccsc2)CCCN1 226489716 344504676 /nfs/dbraw/zinc/50/46/76/344504676.db2.gz SKWMSWHTJXZRNA-SNVBAGLBSA-N 0 3 195.287 2.073 10 0 AEAEHN CC(C)(C)C(=O)[C@@H]1CCCCCN1 226521653 344505626 /nfs/dbraw/zinc/50/56/26/344505626.db2.gz MKPIVKBMMARQJF-VIFPVBQESA-N 0 3 183.295 2.134 10 0 AEAEHN C[C@H]1CCC[C@]12NC[C@@H](C)CS2 226588216 344507264 /nfs/dbraw/zinc/50/72/64/344507264.db2.gz PGKIDXBXIGVAFP-KXUCPTDWSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@]2(CCC[C@H]2C)SC1 226588210 344507289 /nfs/dbraw/zinc/50/72/89/344507289.db2.gz PGKIDXBXIGVAFP-OPRDCNLKSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CC[C@]2(C1)NC[C@@H](C)CS2 226590762 344507798 /nfs/dbraw/zinc/50/77/98/344507798.db2.gz OOWNWMJWAXKIJA-AEJSXWLSSA-N 0 3 185.336 2.475 10 0 AEAEHN CC(C)(C)C(=O)[C@H]1CCCCCN1 226521661 344505686 /nfs/dbraw/zinc/50/56/86/344505686.db2.gz MKPIVKBMMARQJF-SECBINFHSA-N 0 3 183.295 2.134 10 0 AEAEHN CC[C@H](N)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 226539254 344506170 /nfs/dbraw/zinc/50/61/70/344506170.db2.gz PZEZSJUNQRYAOS-YTWAJWBKSA-N 0 3 197.322 2.365 10 0 AEAEHN Cc1ccc([C@H](N)[C@H]2C[C@H]2C)o1 226983696 344518766 /nfs/dbraw/zinc/51/87/66/344518766.db2.gz WABSCUFFWQRXES-KDILMLJESA-N 0 3 165.236 2.244 10 0 AEAEHN CC(C)[C@@H](C)CN1CCC(=O)C[C@@H]1C 227073920 344521480 /nfs/dbraw/zinc/52/14/80/344521480.db2.gz QFIVJIIUVXNJFN-QWRGUYRKSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H]1NC[C@H](C2CCCCC2)O[C@@H]1C 227498288 344532835 /nfs/dbraw/zinc/53/28/35/344532835.db2.gz MSSKFFHFZYUTQV-HOSYDEDBSA-N 0 3 197.322 2.332 10 0 AEAEHN Cc1cnc([C@H](N)C(C)C)c(C)c1 227563818 344535646 /nfs/dbraw/zinc/53/56/46/344535646.db2.gz FFLWYKFXVOMSGO-SNVBAGLBSA-N 0 3 178.279 2.354 10 0 AEAEHN Cc1cnc([C@H](N)C2CC2)c(C)c1 227563571 344535655 /nfs/dbraw/zinc/53/56/55/344535655.db2.gz ZRKQUCIKSGMEMS-SNVBAGLBSA-N 0 3 176.263 2.108 10 0 AEAEHN Cc1sccc1[C@@](C)(F)CN 227877763 344549934 /nfs/dbraw/zinc/54/99/34/344549934.db2.gz MQCUINBQRNIUQO-QMMMGPOBSA-N 0 3 173.256 2.200 10 0 AEAEHN CCNC1=N[C@@](C)(CC)CCS1 228490357 344562507 /nfs/dbraw/zinc/56/25/07/344562507.db2.gz QKFQMCTZDOCSIZ-VIFPVBQESA-N 0 3 186.324 2.258 10 0 AEAEHN Cc1cncc(CN[C@H]2CC2(C)C)c1 228683841 344565945 /nfs/dbraw/zinc/56/59/45/344565945.db2.gz LLRQJWHGAHYFAP-NSHDSACASA-N 0 3 190.290 2.278 10 0 AEAEHN Cc1cncc(CN[C@@H]2CC2(C)C)c1 228683829 344565953 /nfs/dbraw/zinc/56/59/53/344565953.db2.gz LLRQJWHGAHYFAP-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN C[C@H]1CSC(NC2(C)CC2)=N[C@@H]1C 228896509 344573893 /nfs/dbraw/zinc/57/38/93/344573893.db2.gz DHNQQAALPULNTK-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCO[C@@H]1[C@@H](N)c1ccsc1 229393965 344593843 /nfs/dbraw/zinc/59/38/43/344593843.db2.gz GKVBSRYFVODASD-JEZHCXPESA-N 0 3 197.303 2.173 10 0 AEAEHN CCC[C@H]1CNC[C@](C)(C(C)C)O1 229361029 344592484 /nfs/dbraw/zinc/59/24/84/344592484.db2.gz QCFBERCMUJIKEP-WDEREUQCSA-N 0 3 185.311 2.190 10 0 AEAEHN C[C@@H]1CCO[C@H]1[C@@H](N)c1ccsc1 229393979 344593703 /nfs/dbraw/zinc/59/37/03/344593703.db2.gz GKVBSRYFVODASD-FKTZTGRPSA-N 0 3 197.303 2.173 10 0 AEAEHN C[C@@H]1CC[C@@H]([C@@H](N)c2ccsc2)O1 229390758 344593771 /nfs/dbraw/zinc/59/37/71/344593771.db2.gz APOOABYUWGBNEB-JEZHCXPESA-N 0 3 197.303 2.315 10 0 AEAEHN Cc1ccc([C@H](N)[C@H]2CO[C@H](C)C2)o1 229489210 344598069 /nfs/dbraw/zinc/59/80/69/344598069.db2.gz RIRCHEMWYYLZQZ-FXPVBKGRSA-N 0 3 195.262 2.013 10 0 AEAEHN CCC1(NC2=NCCCS2)CCC1 229516676 344599957 /nfs/dbraw/zinc/59/99/57/344599957.db2.gz UCYZWNGWIIBCQN-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN Cc1cc(-c2cnccc2N)ccn1 229579753 344606710 /nfs/dbraw/zinc/60/67/10/344606710.db2.gz BGSLUYURTNWVOA-UHFFFAOYSA-N 0 3 185.230 2.034 10 0 AEAEHN Cc1csc([C@@](C)(N)CC2CC2)n1 229733342 344612973 /nfs/dbraw/zinc/61/29/73/344612973.db2.gz DWKLQBNANLRNFB-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@H]1CSC(NC2CCC2)=N[C@@H]1C 229750353 344613887 /nfs/dbraw/zinc/61/38/87/344613887.db2.gz MOIBYCOEGXCIMM-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@]1(CC2CCC2)NCCS1 229753130 344613906 /nfs/dbraw/zinc/61/39/06/344613906.db2.gz QRTDFIHMWGTPIH-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@@H]1N=C(NC2CCC2)SC[C@@H]1C 229750364 344614047 /nfs/dbraw/zinc/61/40/47/344614047.db2.gz MOIBYCOEGXCIMM-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CN[C@@](C)(CC2CC2)SC1 229753390 344614605 /nfs/dbraw/zinc/61/46/05/344614605.db2.gz KTHAYZWSEFWLPC-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN CC[C@@H]1CN=C(NC2CCCC2)S1 229998745 344622852 /nfs/dbraw/zinc/62/28/52/344622852.db2.gz OPWPOKPOBANPAV-SECBINFHSA-N 0 3 198.335 2.400 10 0 AEAEHN CC(C)[C@@H]1CN=C(NC2(C)CC2)S1 230011656 344623497 /nfs/dbraw/zinc/62/34/97/344623497.db2.gz IDGXUAHRSJGYEX-QMMMGPOBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1CN=C(N[C@H]2CC2(C)C)S1 230005701 344623543 /nfs/dbraw/zinc/62/35/43/344623543.db2.gz QMJIWBJXBRLMHH-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1CNC[C@@H](c2cccs2)O1 230013609 344623556 /nfs/dbraw/zinc/62/35/56/344623556.db2.gz DONPMLUCMVTVSA-IUCAKERBSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@@H]1CN=C(NC2(C)CCC2)S1 230011663 344623558 /nfs/dbraw/zinc/62/35/58/344623558.db2.gz AEQDMDTWWLIHNW-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@@H]1CN=C(N[C@H]2CC2(C)C)S1 230005695 344623564 /nfs/dbraw/zinc/62/35/64/344623564.db2.gz QMJIWBJXBRLMHH-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)[C@H]1CN=C(NC2CCC2)S1 230006378 344623566 /nfs/dbraw/zinc/62/35/66/344623566.db2.gz CKDHSLAYSGOIHC-SECBINFHSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1CN=C(N[C@@H]2CC2(C)C)S1 230005690 344623592 /nfs/dbraw/zinc/62/35/92/344623592.db2.gz QMJIWBJXBRLMHH-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN NC[C@H](F)c1sccc1Cl 229955712 344621549 /nfs/dbraw/zinc/62/15/49/344621549.db2.gz ULNGRMWAXVZLJA-YFKPBYRVSA-N 0 3 179.647 2.371 10 0 AEAEHN CC[C@H]1CN=C(NC2CCCC2)S1 229998752 344622780 /nfs/dbraw/zinc/62/27/80/344622780.db2.gz OPWPOKPOBANPAV-VIFPVBQESA-N 0 3 198.335 2.400 10 0 AEAEHN CC(C)NC1=NC[C@@H](C(C)C)S1 229998355 344622788 /nfs/dbraw/zinc/62/27/88/344622788.db2.gz VMSOHXGINBMJDK-QMMMGPOBSA-N 0 3 186.324 2.112 10 0 AEAEHN CC(C)NC1=NC[C@H](C(C)C)S1 229998349 344622828 /nfs/dbraw/zinc/62/28/28/344622828.db2.gz VMSOHXGINBMJDK-MRVPVSSYSA-N 0 3 186.324 2.112 10 0 AEAEHN CC[C@@H]1CN=C(NC(C)(C)C)S1 229998323 344622832 /nfs/dbraw/zinc/62/28/32/344622832.db2.gz DFHADEUSWCJUOY-SSDOTTSWSA-N 0 3 186.324 2.256 10 0 AEAEHN CCc1ccc2nc(CN)ccc2c1 230093465 344626319 /nfs/dbraw/zinc/62/63/19/344626319.db2.gz YEGVIEPAHLKDDW-UHFFFAOYSA-N 0 3 186.258 2.256 10 0 AEAEHN Cc1ccc(C)c2nc(CN)ccc12 230093350 344626330 /nfs/dbraw/zinc/62/63/30/344626330.db2.gz SXUXZSHHHUUSJQ-UHFFFAOYSA-N 0 3 186.258 2.310 10 0 AEAEHN CCc1cccc2ccc(CN)nc12 230093478 344626333 /nfs/dbraw/zinc/62/63/33/344626333.db2.gz SJKAPAZCSIHTMT-UHFFFAOYSA-N 0 3 186.258 2.256 10 0 AEAEHN Cc1ccc(F)c2nc(CN)ccc12 230093473 344626339 /nfs/dbraw/zinc/62/63/39/344626339.db2.gz AYVVYVMXWQBPFL-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN Cc1c(F)ccc2ccc(CN)nc12 230093388 344626347 /nfs/dbraw/zinc/62/63/47/344626347.db2.gz OOBDCFCKQZZFRH-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN CCN[C@@H]1CCCCc2oncc21 230185751 344628681 /nfs/dbraw/zinc/62/86/81/344628681.db2.gz ZNDKDAPAGVRMIN-SECBINFHSA-N 0 3 180.251 2.052 10 0 AEAEHN CCN[C@H]1CCCCc2oncc21 230185755 344628693 /nfs/dbraw/zinc/62/86/93/344628693.db2.gz ZNDKDAPAGVRMIN-VIFPVBQESA-N 0 3 180.251 2.052 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@@H](C(C)(C)C)C1 230273604 344630302 /nfs/dbraw/zinc/63/03/02/344630302.db2.gz DRRDLTBEWIMHIU-GXSJLCMTSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(=O)[C@@H](C)N1CC[C@@H](C(C)(C)C)C1 230273599 344630381 /nfs/dbraw/zinc/63/03/81/344630381.db2.gz DRRDLTBEWIMHIU-MWLCHTKSSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)[C@H](N)c1nc2c([nH]1)CC[C@@H]2C 230370045 344631997 /nfs/dbraw/zinc/63/19/97/344631997.db2.gz VGCONNMYOMSEPU-CBAPKCEASA-N 0 3 193.294 2.115 10 0 AEAEHN CC(C)[C@H](N)c1nc2c([nH]1)[C@@H](C)CC2 230370045 344631999 /nfs/dbraw/zinc/63/19/99/344631999.db2.gz VGCONNMYOMSEPU-CBAPKCEASA-N 0 3 193.294 2.115 10 0 AEAEHN CC(C)[C@@H]1CCSC(NC2CC2)=N1 231091300 344648402 /nfs/dbraw/zinc/64/84/02/344648402.db2.gz BMXDPGSTPYZAQC-VIFPVBQESA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)CC[C@H]1NCCS1 231182686 344649609 /nfs/dbraw/zinc/64/96/09/344649609.db2.gz BWFMCOLWSAFHSF-QMMMGPOBSA-N 0 3 159.298 2.085 10 0 AEAEHN CC(C)=C[C@H](F)[C@H]1CCCCN1 232564979 344683348 /nfs/dbraw/zinc/68/33/48/344683348.db2.gz MCFJLWKTGXUZBZ-VHSXEESVSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@H](F)[C@@H]1CCCCN1 232564922 344683381 /nfs/dbraw/zinc/68/33/81/344683381.db2.gz MCFJLWKTGXUZBZ-UWVGGRQHSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@H](N)c1ccnc(C)c1 232566504 344683404 /nfs/dbraw/zinc/68/34/04/344683404.db2.gz SDCNQWHJAWKBEB-NSHDSACASA-N 0 3 176.263 2.356 10 0 AEAEHN Cc1cccc(NC(C)C)c1CN 232672383 344687545 /nfs/dbraw/zinc/68/75/45/344687545.db2.gz YTVYFSDPSCORJG-UHFFFAOYSA-N 0 3 178.279 2.274 10 0 AEAEHN CC[C@@H]1CSC2(CC(C)C2)N1 233938560 344708052 /nfs/dbraw/zinc/70/80/52/344708052.db2.gz MGZFCGXIHPYFRG-QJAFJHJLSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=NC(C)(C)CS1 233948421 344708579 /nfs/dbraw/zinc/70/85/79/344708579.db2.gz OWYPPSNDRONRQF-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN CNCc1scc(C)c1Cl 234406113 344720128 /nfs/dbraw/zinc/72/01/28/344720128.db2.gz PVJXQDMSWMPMCY-UHFFFAOYSA-N 0 3 175.684 2.429 10 0 AEAEHN COC1(CNc2ccncc2)CCC1 234773065 344727003 /nfs/dbraw/zinc/72/70/03/344727003.db2.gz NDIVNDNBWCFHDN-UHFFFAOYSA-N 0 3 192.262 2.063 10 0 AEAEHN CO[C@@H]1CC[C@H](Nc2ccncc2)C1 234979676 344731319 /nfs/dbraw/zinc/73/13/19/344731319.db2.gz AGDLZAZUUZCQNC-WDEREUQCSA-N 0 3 192.262 2.061 10 0 AEAEHN C[C@@H]1CN=C(NCC2(C)CCC2)S1 235392749 344748027 /nfs/dbraw/zinc/74/80/27/344748027.db2.gz AAMISWOBJCVLMS-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H]1CN=C(NC(C)(C)C2CC2)S1 235392558 344748030 /nfs/dbraw/zinc/74/80/30/344748030.db2.gz YFAWVRRXEYOOMW-SSDOTTSWSA-N 0 3 198.335 2.256 10 0 AEAEHN Cc1ncc([C@H](N)C(C)(C)C)s1 235839043 344768917 /nfs/dbraw/zinc/76/89/17/344768917.db2.gz SMKJYQIYTWBLKC-QMMMGPOBSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1cncc(-c2ccoc2CN)c1 235931747 344770027 /nfs/dbraw/zinc/77/00/27/344770027.db2.gz LBRUITXNDSOXNC-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN Cc1nc([C@@H]2CC2(C)C)sc1CN 235930905 344770069 /nfs/dbraw/zinc/77/00/69/344770069.db2.gz ZUXXNRJIXYSGSN-ZETCQYMHSA-N 0 3 196.319 2.424 10 0 AEAEHN F[C@H](c1ccco1)[C@H]1CCCCN1 236145305 344775266 /nfs/dbraw/zinc/77/52/66/344775266.db2.gz BPQPFAFVNDRWET-SCZZXKLOSA-N 0 3 183.226 2.432 10 0 AEAEHN F[C@H](C1=COCCC1)[C@@H]1CCCCN1 236141776 344775294 /nfs/dbraw/zinc/77/52/94/344775294.db2.gz XKLNPIOXNQCYPQ-WDEREUQCSA-N 0 3 199.269 2.161 10 0 AEAEHN F[C@H](c1ccoc1)[C@@H]1CCCCN1 236142608 344775337 /nfs/dbraw/zinc/77/53/37/344775337.db2.gz GRAFEDXFCYVLSS-VHSXEESVSA-N 0 3 183.226 2.432 10 0 AEAEHN F[C@@H](c1ccco1)[C@@H]1CCCCN1 236171878 344776256 /nfs/dbraw/zinc/77/62/56/344776256.db2.gz BPQPFAFVNDRWET-WCBMZHEXSA-N 0 3 183.226 2.432 10 0 AEAEHN F[C@@H](c1ccoc1)[C@@H]1CCCCN1 236172177 344776267 /nfs/dbraw/zinc/77/62/67/344776267.db2.gz GRAFEDXFCYVLSS-UWVGGRQHSA-N 0 3 183.226 2.432 10 0 AEAEHN NC[C@H](F)C1=CCCCCC1 236174992 344776670 /nfs/dbraw/zinc/77/66/70/344776670.db2.gz SOPDBUUITMAFED-VIFPVBQESA-N 0 3 157.232 2.174 10 0 AEAEHN NCc1ccc(-c2ccc[nH]2)s1 236221217 344777745 /nfs/dbraw/zinc/77/77/45/344777745.db2.gz QNTWAQBGHFQVQZ-UHFFFAOYSA-N 0 3 178.260 2.202 10 0 AEAEHN NC[C@@H](F)C1=CCCCCC1 236263129 344778706 /nfs/dbraw/zinc/77/87/06/344778706.db2.gz SOPDBUUITMAFED-SECBINFHSA-N 0 3 157.232 2.174 10 0 AEAEHN Cc1cc(F)c(Cl)c(CN)c1 238524827 344811008 /nfs/dbraw/zinc/81/10/08/344811008.db2.gz KCTGVWKHCOEKRO-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN N[C@@H](CF)c1cccc2[nH]ccc12 238575180 344813807 /nfs/dbraw/zinc/81/38/07/344813807.db2.gz JINOCKXUOBLDBK-VIFPVBQESA-N 0 3 178.210 2.137 10 0 AEAEHN N[C@H](c1sccc1F)C1CC1 238582278 344814330 /nfs/dbraw/zinc/81/43/30/344814330.db2.gz LZPBYZUYWVXSPK-ZETCQYMHSA-N 0 3 171.240 2.297 10 0 AEAEHN N[C@H](CF)c1cccc2[nH]ccc12 238685564 344818994 /nfs/dbraw/zinc/81/89/94/344818994.db2.gz JINOCKXUOBLDBK-SECBINFHSA-N 0 3 178.210 2.137 10 0 AEAEHN N[C@H](CF)c1ccc2cc[nH]c2c1 238685859 344819066 /nfs/dbraw/zinc/81/90/66/344819066.db2.gz OQXHJWKWLDYQGW-SECBINFHSA-N 0 3 178.210 2.137 10 0 AEAEHN N[C@H](c1ccco1)[C@H]1C[C@@H]2C[C@@H]2C1 250100760 344829963 /nfs/dbraw/zinc/82/99/63/344829963.db2.gz WSJCWWIWRBXTDQ-DKIAZLNASA-N 0 3 177.247 2.326 10 0 AEAEHN N[C@@H](c1ccco1)[C@H]1C[C@@H]2C[C@@H]2C1 250100769 344829991 /nfs/dbraw/zinc/82/99/91/344829991.db2.gz WSJCWWIWRBXTDQ-PKIKSRDPSA-N 0 3 177.247 2.326 10 0 AEAEHN N[C@H](c1ccco1)[C@@H]1[C@H]2CCC[C@H]21 250091524 344830026 /nfs/dbraw/zinc/83/00/26/344830026.db2.gz PYDKNHOFNHGPHM-YKDSUIRESA-N 0 3 177.247 2.326 10 0 AEAEHN C[C@@H](N(C)[C@H]1CCCC1=O)C(C)(C)C 251022672 344844267 /nfs/dbraw/zinc/84/42/67/344844267.db2.gz DKVJHDHOWCGZJM-ZJUUUORDSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N1CC[C@@H](C)C[C@H]1C 251242177 344850394 /nfs/dbraw/zinc/85/03/94/344850394.db2.gz TYAAXAMJMHOCKO-MXWKQRLJSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N1C[C@@H](C)CC[C@H]1C 251243394 344850401 /nfs/dbraw/zinc/85/04/01/344850401.db2.gz TZHZRMOBRDRQGL-AXFHLTTASA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)CN1CCC[C@@H](C)[C@H]1C 251262008 344850931 /nfs/dbraw/zinc/85/09/31/344850931.db2.gz YNYJBIHOTWWNHZ-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@@H](C)N1CCC[C@H](C)CC1 252124807 344886639 /nfs/dbraw/zinc/88/66/39/344886639.db2.gz JXLFWXJVENGTMQ-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@@H]1CCCCN1[C@H]1CCCCC1=O 252425552 344895407 /nfs/dbraw/zinc/89/54/07/344895407.db2.gz OHQGQHKPKPMMIJ-MNOVXSKESA-N 0 3 195.306 2.373 10 0 AEAEHN CC[C@@H]1CCCN([C@H](C)C(C)=O)C1 252424680 344895418 /nfs/dbraw/zinc/89/54/18/344895418.db2.gz ISAWORMFVKJLBU-MWLCHTKSSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@@H]1CC[C@H]([C@H](F)CN)C[C@H]1C 252737789 344911273 /nfs/dbraw/zinc/91/12/73/344911273.db2.gz CRZKZJUFEJQUDC-DOLQZWNJSA-N 0 3 173.275 2.356 10 0 AEAEHN C[C@@H]1CSC(N[C@@H]2C[C@@H]2C)=N[C@H]1C 252962936 344922959 /nfs/dbraw/zinc/92/29/59/344922959.db2.gz VXRHOLAGIROHNS-UYXSQOIJSA-N 0 3 198.335 2.112 10 0 AEAEHN Cc1occc1[C@]1(N)[C@H]2CCC[C@H]21 252829104 344915455 /nfs/dbraw/zinc/91/54/55/344915455.db2.gz JWDLVJDBAQCANF-JGPRNRPPSA-N 0 3 177.247 2.172 10 0 AEAEHN CCC[C@@H]1CCN([C@H]2CCCC2=O)C1 252868841 344917297 /nfs/dbraw/zinc/91/72/97/344917297.db2.gz RRDOXMAVIOPLPN-MNOVXSKESA-N 0 3 195.306 2.230 10 0 AEAEHN CC1CC(N2CCC(=O)[C@@H](C)[C@H]2C)C1 252909876 344918578 /nfs/dbraw/zinc/91/85/78/344918578.db2.gz BGUMDGWRXHCROI-LIZLNQBYSA-N 0 3 195.306 2.084 10 0 AEAEHN C[C@H]1CC[C@H](NCc2cnco2)CC1 253135900 344928337 /nfs/dbraw/zinc/92/83/37/344928337.db2.gz RRSPHEVUZYPMIJ-MGCOHNPYSA-N 0 3 194.278 2.343 10 0 AEAEHN Cc1oncc1CN[C@H]1CCC[C@@H]1C 306153384 345044319 /nfs/dbraw/zinc/04/43/19/345044319.db2.gz AWUHXLHSBQVUOZ-KWQFWETISA-N 0 3 194.278 2.261 10 0 AEAEHN F[C@H]1CC[C@@H](NCc2ccoc2)C1 306182438 345073525 /nfs/dbraw/zinc/07/35/25/345073525.db2.gz XNQPIZBXCJTUTD-VHSXEESVSA-N 0 3 183.226 2.260 10 0 AEAEHN F[C@@H]1CC[C@H](NCc2ccoc2)C1 306182439 345073536 /nfs/dbraw/zinc/07/35/36/345073536.db2.gz XNQPIZBXCJTUTD-ZJUUUORDSA-N 0 3 183.226 2.260 10 0 AEAEHN Cc1cccnc1CN1CCCCC1 306193094 345082924 /nfs/dbraw/zinc/08/29/24/345082924.db2.gz DIHNENNCAFJZKI-UHFFFAOYSA-N 0 3 190.290 2.376 10 0 AEAEHN Fc1ccc([C@@H]2C=CCN2)c(F)c1 306203181 345092717 /nfs/dbraw/zinc/09/27/17/345092717.db2.gz OPDVDYMXZZXXEZ-JTQLQIEISA-N 0 3 181.185 2.165 10 0 AEAEHN CC(C)NC1=NC[C@@H](C2CCC2)S1 306263057 345153225 /nfs/dbraw/zinc/15/32/25/345153225.db2.gz ZZMCWUYQKYIUMY-VIFPVBQESA-N 0 3 198.335 2.256 10 0 AEAEHN Fc1cccc([C@H]2C=CCN2)c1F 306268893 345157786 /nfs/dbraw/zinc/15/77/86/345157786.db2.gz LKDZDOKOKVPHOZ-SECBINFHSA-N 0 3 181.185 2.165 10 0 AEAEHN CC[C@H](C)[C@H](C)C1(O)CCN(C)CC1 306253595 345144724 /nfs/dbraw/zinc/14/47/24/345144724.db2.gz SXDIJMBGTHNWRU-QWRGUYRKSA-N 0 3 199.338 2.125 10 0 AEAEHN NC[C@@H](F)c1ccsc1Cl 306284838 345168747 /nfs/dbraw/zinc/16/87/47/345168747.db2.gz CFDQWYGIMWTWNV-RXMQYKEDSA-N 0 3 179.647 2.371 10 0 AEAEHN CC[C@@H]1CSC(N[C@H]2CC[C@@H]2C)=N1 306285141 345169396 /nfs/dbraw/zinc/16/93/96/345169396.db2.gz DRHWBNLXEYHZQH-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)CN[C@@H]1c1nccs1 306314205 345193176 /nfs/dbraw/zinc/19/31/76/345193176.db2.gz NJLOGAMSWYDXRY-VXNVDRBHSA-N 0 3 182.292 2.204 10 0 AEAEHN CC[C@H](N)c1cc(C)cc(C)n1 306298111 345179244 /nfs/dbraw/zinc/17/92/44/345179244.db2.gz ORNOWQDZRXZZQX-VIFPVBQESA-N 0 3 164.252 2.108 10 0 AEAEHN C[C@@H]1CN[C@]2(CC[C@H]2C)SC1 306429613 345287348 /nfs/dbraw/zinc/28/73/48/345287348.db2.gz ANLVIGOLNRYMDP-IWSPIJDZSA-N 0 3 171.309 2.085 10 0 AEAEHN FC1(F)CC(Nc2ccncc2)C1 306440312 345300707 /nfs/dbraw/zinc/30/07/07/345300707.db2.gz HRRJDUHZALYCNR-UHFFFAOYSA-N 0 3 184.189 2.291 10 0 AEAEHN CC[C@@]1(c2ccsn2)CCCN1 306452353 345312793 /nfs/dbraw/zinc/31/27/93/345312793.db2.gz XIAPBFFHNWQEDZ-VIFPVBQESA-N 0 3 182.292 2.132 10 0 AEAEHN CC[C@@H]1CN=C(N[C@@H]2CC[C@H]2C)S1 306457146 345317013 /nfs/dbraw/zinc/31/70/13/345317013.db2.gz YFWQIBCBERPZNR-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN C/C=C/CN(C)[C@H]1CC1(C)C 306468524 345330572 /nfs/dbraw/zinc/33/05/72/345330572.db2.gz NUXKAQMGHPMWTH-CYNONHLPSA-N 0 3 153.269 2.293 10 0 AEAEHN C/C=C/CN(C)[C@@H]1CC1(C)C 306468525 345330577 /nfs/dbraw/zinc/33/05/77/345330577.db2.gz NUXKAQMGHPMWTH-VUHVRTRXSA-N 0 3 153.269 2.293 10 0 AEAEHN NCc1csc(CC2CCCC2)n1 306478037 345344412 /nfs/dbraw/zinc/34/44/12/345344412.db2.gz ZBDLHDNQVNILOJ-UHFFFAOYSA-N 0 3 196.319 2.335 10 0 AEAEHN CC[C@]1([C@@H]2C[C@H]2C)NCCCS1 306479980 345347322 /nfs/dbraw/zinc/34/73/22/345347322.db2.gz INQAYHVZFXTEIE-BBBLOLIVSA-N 0 3 185.336 2.475 10 0 AEAEHN N[C@]1(c2nccs2)CCC[C@H]2C[C@H]21 306500842 345374445 /nfs/dbraw/zinc/37/44/45/345374445.db2.gz ZCLORPOECSARDR-QXFUBDJGSA-N 0 3 194.303 2.117 10 0 AEAEHN NCc1cc(F)c(C(F)F)cc1F 306523669 345396280 /nfs/dbraw/zinc/39/62/80/345396280.db2.gz ULIBETDTIJQPLK-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN COc1ccnc(NC[C@@H]2C[C@@H]2C)c1 306532942 345405155 /nfs/dbraw/zinc/40/51/55/345405155.db2.gz HBWRXFZGHAUCRY-IUCAKERBSA-N 0 3 192.262 2.158 10 0 AEAEHN C[C@H]1CCN(CC2(F)CC2)C[C@H]1C 306567879 345444718 /nfs/dbraw/zinc/44/47/18/345444718.db2.gz IMCKZDWFLJAUKW-VHSXEESVSA-N 0 3 185.286 2.466 10 0 AEAEHN Cc1ccoc1CN[C@@H]1CC[C@@H]2C[C@@H]21 306568069 345444721 /nfs/dbraw/zinc/44/47/21/345444721.db2.gz UDUXZBQHYHDQDX-OUAUKWLOSA-N 0 3 191.274 2.476 10 0 AEAEHN C[C@@H]1CN(CC(C)(C)C)[C@H](C)CO1 306568805 345445414 /nfs/dbraw/zinc/44/54/14/345445414.db2.gz JRTWAKKKIIBJND-NXEZZACHSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@H]1CN(c2ccncc2)C[C@@H]1C 306577495 345454789 /nfs/dbraw/zinc/45/47/89/345454789.db2.gz VDRFSMLJXRDUIW-UWVGGRQHSA-N 0 3 176.263 2.174 10 0 AEAEHN CC(C)[C@@]1(C)C[C@@H]1NC1=NCCS1 306577123 345454943 /nfs/dbraw/zinc/45/49/43/345454943.db2.gz LAJGJAUIASGSFP-WCBMZHEXSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H]1CN[C@@H](CCC2CC2)SC1 306595947 345472556 /nfs/dbraw/zinc/47/25/56/345472556.db2.gz MBIHULVXFDBHNS-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@H](CCC2CC2)SC1 306595946 345472601 /nfs/dbraw/zinc/47/26/01/345472601.db2.gz MBIHULVXFDBHNS-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN N[C@@H](c1cscn1)[C@@H]1[C@H]2CCC[C@H]21 306615882 345489235 /nfs/dbraw/zinc/48/92/35/345489235.db2.gz OIQBFAXWNYYKBX-WDQPUEAGSA-N 0 3 194.303 2.189 10 0 AEAEHN CN[C@H](c1ccsn1)[C@@H]1CC1(C)C 306622019 345494489 /nfs/dbraw/zinc/49/44/89/345494489.db2.gz AFWCILMXMJLEDO-CBAPKCEASA-N 0 3 196.319 2.450 10 0 AEAEHN Cc1csc([C@H]2NC[C@H]2C2CC2)n1 306626504 345498129 /nfs/dbraw/zinc/49/81/29/345498129.db2.gz YWHKOIVMCIUYRX-IUCAKERBSA-N 0 3 194.303 2.122 10 0 AEAEHN C[C@H]1C[C@H]1[C@@]1(C)NCC[C@@H](C)S1 306635581 345503903 /nfs/dbraw/zinc/50/39/03/345503903.db2.gz ADJFPUULOUWZDI-JLIMGVALSA-N 0 3 185.336 2.474 10 0 AEAEHN CC(C)(N)c1snc2ccccc12 306641470 345509665 /nfs/dbraw/zinc/50/96/65/345509665.db2.gz MJWJUKGNDIALAI-UHFFFAOYSA-N 0 3 192.287 2.490 10 0 AEAEHN CC[C@H](C)C[C@@H]1NC[C@H](C)S1 306707031 345560438 /nfs/dbraw/zinc/56/04/38/345560438.db2.gz RDZGYZNEYPOQTH-XHNCKOQMSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)n1nccc1[C@H](F)C(C)(C)N 306712497 345565071 /nfs/dbraw/zinc/56/50/71/345565071.db2.gz UKFINCZGWNPRFG-VIFPVBQESA-N 0 3 199.273 2.212 10 0 AEAEHN CC(C)n1nccc1[C@@H](F)C(C)(C)N 306712496 345565073 /nfs/dbraw/zinc/56/50/73/345565073.db2.gz UKFINCZGWNPRFG-SECBINFHSA-N 0 3 199.273 2.212 10 0 AEAEHN C[C@@H]1N=C(N[C@H](C)C2CC2)S[C@@H]1C 306742846 345586748 /nfs/dbraw/zinc/58/67/48/345586748.db2.gz GJMRSIUXODGIKZ-XLPZGREQSA-N 0 3 198.335 2.254 10 0 AEAEHN NCc1ccc(-c2cscn2)s1 306761452 345597284 /nfs/dbraw/zinc/59/72/84/345597284.db2.gz ZNIPTMZGITUNEQ-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN COc1ccc([C@H](N)[C@H]2C[C@H]2C)s1 306784298 345611980 /nfs/dbraw/zinc/61/19/80/345611980.db2.gz RWVFJECMVGLTIH-MATHAZKKSA-N 0 3 197.303 2.413 10 0 AEAEHN Cc1cocc1-c1cncc(CN)c1 306812254 345630977 /nfs/dbraw/zinc/63/09/77/345630977.db2.gz YTFGSNNZFAOIFZ-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CCC1(C=C2CNC2)CCC1 306788466 345614924 /nfs/dbraw/zinc/61/49/24/345614924.db2.gz WZRCCQVTNHOONJ-UHFFFAOYSA-N 0 3 151.253 2.096 10 0 AEAEHN CCC(C)(C)[C@@H]1CN[C@H](C)[C@@H](C)O1 306833222 345645831 /nfs/dbraw/zinc/64/58/31/345645831.db2.gz POKVSUHVLQGQRO-BBBLOLIVSA-N 0 3 185.311 2.188 10 0 AEAEHN CSC(C)(C)C[C@@H]1NCCS1 306833464 345645857 /nfs/dbraw/zinc/64/58/57/345645857.db2.gz PUOJSBYTFYHNSP-SSDOTTSWSA-N 0 3 191.365 2.181 10 0 AEAEHN CSC(C)(C)C[C@H]1NCCS1 306833465 345645859 /nfs/dbraw/zinc/64/58/59/345645859.db2.gz PUOJSBYTFYHNSP-ZETCQYMHSA-N 0 3 191.365 2.181 10 0 AEAEHN Cc1cc(-n2ccc(C)n2)cc(C)n1 306824726 345639398 /nfs/dbraw/zinc/63/93/98/345639398.db2.gz UYFAOWZZIWFBFJ-UHFFFAOYSA-N 0 3 187.246 2.193 10 0 AEAEHN CC(C)=C[C@@]1(F)CCCN[C@H]1C 306860735 345663985 /nfs/dbraw/zinc/66/39/85/345663985.db2.gz GHMWKUVJUDNLER-UWVGGRQHSA-N 0 3 171.259 2.433 10 0 AEAEHN CC[C@H]1SC(NC2CCC2)=N[C@@H]1C 306861080 345664766 /nfs/dbraw/zinc/66/47/66/345664766.db2.gz FDQIJJMJYBZSEG-VXNVDRBHSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@H]1[C@H](C)C[C@H]1NC1=N[C@H](C)CS1 306886527 345682430 /nfs/dbraw/zinc/68/24/30/345682430.db2.gz SNIZEAREAYGJAF-LURQLKTLSA-N 0 3 198.335 2.112 10 0 AEAEHN Cc1cc(F)c([C@H](F)CN)c(F)c1 306885963 345682448 /nfs/dbraw/zinc/68/24/48/345682448.db2.gz ONUBGTITFSMDBZ-MRVPVSSYSA-N 0 3 189.180 2.243 10 0 AEAEHN CC[C@@]1(C)C[C@H]1NC1=NCCCS1 306897942 345690378 /nfs/dbraw/zinc/69/03/78/345690378.db2.gz VPKWPTFEFDRLLK-SCZZXKLOSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@](F)([C@H]1CCCCN1)C(F)(F)F 306947474 345713014 /nfs/dbraw/zinc/71/30/14/345713014.db2.gz PRWCSIVWXIOINI-RQJHMYQMSA-N 0 3 199.191 2.419 10 0 AEAEHN Cn1ccnc1N[C@@H]1CC12CCCC2 306976314 345729498 /nfs/dbraw/zinc/72/94/98/345729498.db2.gz AIEGMIVXZIKLPA-SECBINFHSA-N 0 3 191.278 2.165 10 0 AEAEHN N[C@H](c1ccns1)[C@H]1C[C@@H]2C[C@@H]2C1 306984712 345734838 /nfs/dbraw/zinc/73/48/38/345734838.db2.gz VOLWMUVVJCCXRW-ODHVRURNSA-N 0 3 194.303 2.189 10 0 AEAEHN Cc1nc(-c2cnccc2N)cs1 307003283 345745410 /nfs/dbraw/zinc/74/54/10/345745410.db2.gz CPIYADUNMJOGBA-UHFFFAOYSA-N 0 3 191.259 2.096 10 0 AEAEHN C1CCC2(C1)CCC[C@H]2NC1COC1 307012512 345752261 /nfs/dbraw/zinc/75/22/61/345752261.db2.gz KXAHQWQFLWLAPZ-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ccns1 307012552 345752266 /nfs/dbraw/zinc/75/22/66/345752266.db2.gz MMQRTDZYYIZSTN-POYBYMJQSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@@H]1N=C(NCC2(C)CC2)S[C@H]1C 307025311 345761817 /nfs/dbraw/zinc/76/18/17/345761817.db2.gz WZRRGYLWHKQPLI-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CC[C@@H]1NC1=N[C@H](C)CCS1 307035075 345768448 /nfs/dbraw/zinc/76/84/48/345768448.db2.gz USYJFCBEWMDGHT-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCSC(N[C@H]2CC[C@H]2C)=N1 307035073 345768476 /nfs/dbraw/zinc/76/84/76/345768476.db2.gz USYJFCBEWMDGHT-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCSC(N[C@@H]2CC[C@H]2C)=N1 307035074 345768501 /nfs/dbraw/zinc/76/85/01/345768501.db2.gz USYJFCBEWMDGHT-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN Cc1cc([C@@H](F)C(C)(C)N)sn1 307043426 345774122 /nfs/dbraw/zinc/77/41/22/345774122.db2.gz DDTVSXYHQDPMAK-SSDOTTSWSA-N 0 3 188.271 2.199 10 0 AEAEHN C[C@@H]1N[C@@H](CC(C)(C)C)CO[C@@H]1C 307057475 345783341 /nfs/dbraw/zinc/78/33/41/345783341.db2.gz YRBNXOMZBQVXEZ-AEJSXWLSSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@H]1CCC[C@@H](SC2=NCCN2)C1 307060634 345786454 /nfs/dbraw/zinc/78/64/54/345786454.db2.gz KAOICKZBBSYTPV-DTWKUNHWSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H]1CN=C(SC2CCCC2)N1 307072349 345793608 /nfs/dbraw/zinc/79/36/08/345793608.db2.gz ICGNKDUZXMZHHV-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN Cc1sc(C2CC2)nc1[C@@H](C)N 307106113 345813265 /nfs/dbraw/zinc/81/32/65/345813265.db2.gz DONPBINEPFJFIO-RXMQYKEDSA-N 0 3 182.292 2.349 10 0 AEAEHN Cc1cc(-c2cnccc2N)sn1 307208681 345892176 /nfs/dbraw/zinc/89/21/76/345892176.db2.gz KIEXLGYMYHHKJV-UHFFFAOYSA-N 0 3 191.259 2.096 10 0 AEAEHN Cc1nc([C@@](C)(N)C(C)C)cs1 307237139 345912988 /nfs/dbraw/zinc/91/29/88/345912988.db2.gz GQHNZKFJMQGXLO-VIFPVBQESA-N 0 3 184.308 2.281 10 0 AEAEHN CCC1(C[C@H]2CNCCC2=O)CCC1 307272647 345939135 /nfs/dbraw/zinc/93/91/35/345939135.db2.gz GHIMVOBXQXKOJN-JTQLQIEISA-N 0 3 195.306 2.135 10 0 AEAEHN CCC1(C[C@@H]2CNCCC2=O)CCC1 307272649 345939139 /nfs/dbraw/zinc/93/91/39/345939139.db2.gz GHIMVOBXQXKOJN-SNVBAGLBSA-N 0 3 195.306 2.135 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccsn1 307301928 345956644 /nfs/dbraw/zinc/95/66/44/345956644.db2.gz YEMWUZHEMDGJOD-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN CC(C)N1CCCC[C@H](F)C1 307311840 345963778 /nfs/dbraw/zinc/96/37/78/345963778.db2.gz GBBPQJNRGOQSKD-VIFPVBQESA-N 0 3 159.248 2.219 10 0 AEAEHN C[C@@H]1CC[C@](F)(c2ccoc2)CN1 307341015 345981960 /nfs/dbraw/zinc/98/19/60/345981960.db2.gz JMEYLZKNACHFRQ-PSASIEDQSA-N 0 3 183.226 2.216 10 0 AEAEHN CC[C@@]1(C)C[C@H]1Nc1nccn1C 307381037 346006053 /nfs/dbraw/zinc/00/60/53/346006053.db2.gz YSVYKIZNWSZQBM-SCZZXKLOSA-N 0 3 179.267 2.021 10 0 AEAEHN NCc1ncoc1-c1sccc1F 307390655 346011715 /nfs/dbraw/zinc/01/17/15/346011715.db2.gz TWPSLRXWNLSMMN-UHFFFAOYSA-N 0 3 198.222 2.001 10 0 AEAEHN Cc1cc(-c2c[nH]c(N)n2)cs1 307407022 346023832 /nfs/dbraw/zinc/02/38/32/346023832.db2.gz FLZILQFMCDSSQH-UHFFFAOYSA-N 0 3 179.248 2.029 10 0 AEAEHN C[C@@H]1NC[C@H](c2ccsc2)O[C@H]1C 307405115 346022307 /nfs/dbraw/zinc/02/23/07/346022307.db2.gz CVJHFVLKWJTCOA-OYNCUSHFSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NCCC[C@@]1(F)c1ccoc1 307468024 346058378 /nfs/dbraw/zinc/05/83/78/346058378.db2.gz LXRPXDXIDFLAIT-WPRPVWTQSA-N 0 3 183.226 2.216 10 0 AEAEHN Cc1cc([C@H](N)CC2CC2)sn1 307502728 346078312 /nfs/dbraw/zinc/07/83/12/346078312.db2.gz ODRBJJDYYBTGJB-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1cocc1[C@H](N)[C@@H]1CCSC1 307508118 346081004 /nfs/dbraw/zinc/08/10/04/346081004.db2.gz UFMSEWBQOQFOOK-PSASIEDQSA-N 0 3 197.303 2.341 10 0 AEAEHN Cc1cocc1[C@@H](N)[C@H]1CCSC1 307508121 346081021 /nfs/dbraw/zinc/08/10/21/346081021.db2.gz UFMSEWBQOQFOOK-WPRPVWTQSA-N 0 3 197.303 2.341 10 0 AEAEHN CC(C)[C@H](C)[C@H]1NCCCS1 307507528 346081027 /nfs/dbraw/zinc/08/10/27/346081027.db2.gz ZPOZILAPVSSVKX-IUCAKERBSA-N 0 3 173.325 2.331 10 0 AEAEHN N[C@@H](C1=COCC1)c1ccoc1Cl 307537721 346099181 /nfs/dbraw/zinc/09/91/81/346099181.db2.gz RDLCRIFKJPZMLI-QMMMGPOBSA-N 0 3 199.637 2.237 10 0 AEAEHN CC(C)[C@H]1CN[C@H]1c1nccs1 307554021 346109425 /nfs/dbraw/zinc/10/94/25/346109425.db2.gz WFGMHSRHNUBJJG-HTQZYQBOSA-N 0 3 182.292 2.060 10 0 AEAEHN C[C@H]1CC[C@](N)(c2cscn2)C1 307589222 346131974 /nfs/dbraw/zinc/13/19/74/346131974.db2.gz ZXLUQXQQEQPFBQ-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1csc([C@@H]2NC[C@@H]2C(C)C)n1 307591564 346133699 /nfs/dbraw/zinc/13/36/99/346133699.db2.gz DMMYEMPHFLNBBJ-RKDXNWHRSA-N 0 3 196.319 2.368 10 0 AEAEHN C[C@]1([C@@H](N)c2cccs2)C[C@@H]1F 307638757 346162320 /nfs/dbraw/zinc/16/23/20/346162320.db2.gz DGWOTCYUZVNUOW-CIUDSAMLSA-N 0 3 185.267 2.496 10 0 AEAEHN C[C@H](N)[C@](C)(F)c1cccs1 307643403 346164120 /nfs/dbraw/zinc/16/41/20/346164120.db2.gz LPHGKNCOVXEWQM-XPUUQOCRSA-N 0 3 173.256 2.280 10 0 AEAEHN CC(C)[C@H](C)[C@@H]1CN[C@@H](C)[C@H](C)O1 307645478 346165197 /nfs/dbraw/zinc/16/51/97/346165197.db2.gz YTOIARVLBVTUCJ-NAKRPEOUSA-N 0 3 185.311 2.044 10 0 AEAEHN NCc1csc(-c2ccns2)c1 307654880 346167757 /nfs/dbraw/zinc/16/77/57/346167757.db2.gz WGFZBPVSAPRBEX-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN Cc1ncc([C@@H]2NCC23CCC3)s1 307692149 346186610 /nfs/dbraw/zinc/18/66/10/346186610.db2.gz REIQMLFHAQMEFE-VIFPVBQESA-N 0 3 194.303 2.266 10 0 AEAEHN CN[C@@H](C)c1sccc1F 307691758 346186683 /nfs/dbraw/zinc/18/66/83/346186683.db2.gz QEALXYQSUPLTAD-YFKPBYRVSA-N 0 3 159.229 2.168 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1ccccn1 307696210 346189362 /nfs/dbraw/zinc/18/93/62/346189362.db2.gz KADCWHSHDKAEQC-UWVGGRQHSA-N 0 3 176.263 2.064 10 0 AEAEHN C[C@@](N)(c1nccs1)C1CCC1 307717964 346200812 /nfs/dbraw/zinc/20/08/12/346200812.db2.gz KMLBXPGZPXVXAZ-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CCC[C@H](N)c1cc(C)ns1 307720963 346201882 /nfs/dbraw/zinc/20/18/82/346201882.db2.gz VGDAOMUAAOOGCC-ZETCQYMHSA-N 0 3 170.281 2.251 10 0 AEAEHN Cc1cc(F)c(F)c2c(CN)coc12 307732852 346209431 /nfs/dbraw/zinc/20/94/31/346209431.db2.gz QMQRLSUVSQZYPY-UHFFFAOYSA-N 0 3 197.184 2.478 10 0 AEAEHN CCCCCN1C[C@H](C)OC[C@H]1C 308459369 346305401 /nfs/dbraw/zinc/30/54/01/346305401.db2.gz GZUZLWHOAHLKCU-MNOVXSKESA-N 0 3 185.311 2.286 10 0 AEAEHN CS[C@@H]1CC[C@H]1NCc1ccco1 308308293 346285765 /nfs/dbraw/zinc/28/57/65/346285765.db2.gz PIFTVCWNADOSSL-NXEZZACHSA-N 0 3 197.303 2.263 10 0 AEAEHN C[C@H]1CCCN(Cc2cc[nH]n2)CC1 334315504 346340111 /nfs/dbraw/zinc/34/01/11/346340111.db2.gz NQPSRYPNTDFVAV-JTQLQIEISA-N 0 3 193.294 2.032 10 0 AEAEHN Cc1cc(CN2CC[C@@H](C)[C@H]2C)on1 335294444 346386810 /nfs/dbraw/zinc/38/68/10/346386810.db2.gz AIUIZUPVVSLZBP-PSASIEDQSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1cncc(CN2C[C@H](C)[C@H]2C)c1 334942525 346370730 /nfs/dbraw/zinc/37/07/30/346370730.db2.gz OXKZHNOPCCJXSE-WDEREUQCSA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1CC[C@H](C)N(Cc2c[nH]cn2)C1 335723354 346416360 /nfs/dbraw/zinc/41/63/60/346416360.db2.gz XYLAFLATCGUYNQ-UWVGGRQHSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1cccc(O)c1 335804476 346421159 /nfs/dbraw/zinc/42/11/59/346421159.db2.gz HCQLWMUUNMRUIA-UWVGGRQHSA-N 0 3 191.274 2.375 10 0 AEAEHN Cc1c[nH]nc1CN(C)C1CCCC1 335835778 346422675 /nfs/dbraw/zinc/42/26/75/346422675.db2.gz VXJVXUDCHGWKCN-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@@]1(F)CCCN(CC2CC2)C1 336214384 346445184 /nfs/dbraw/zinc/44/51/84/346445184.db2.gz LDQXJBNRBMUZOX-SNVBAGLBSA-N 0 3 171.259 2.220 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCc1ccncc1 336340093 346456243 /nfs/dbraw/zinc/45/62/43/346456243.db2.gz URRWUQWFUFNPSL-PHIMTYICSA-N 0 3 190.290 2.107 10 0 AEAEHN Cc1ccc(CN2[C@@H](C)C[C@H]2C)nc1 336055981 346436069 /nfs/dbraw/zinc/43/60/69/346436069.db2.gz KAZSEYALDDVAOY-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN CC[C@@H]1C[C@H](C)CN1Cc1ccno1 336508336 346468970 /nfs/dbraw/zinc/46/89/70/346468970.db2.gz IBSYMDCNASNTGV-VHSXEESVSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1C[C@@H](C)CN1Cc1ccno1 336508334 346469243 /nfs/dbraw/zinc/46/92/43/346469243.db2.gz IBSYMDCNASNTGV-NXEZZACHSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1COCCN1C1CCCC1 336553287 346471794 /nfs/dbraw/zinc/47/17/94/346471794.db2.gz GDFGOMPZFMVZIA-JTQLQIEISA-N 0 3 183.295 2.040 10 0 AEAEHN Cc1ncc(CN2CCC[C@@H]2C)s1 336631373 346480602 /nfs/dbraw/zinc/48/06/02/346480602.db2.gz BKPIFDVJAFYIPM-QMMMGPOBSA-N 0 3 196.319 2.436 10 0 AEAEHN C/C=C\CNCc1ccc(OC)cc1 389154904 346569694 /nfs/dbraw/zinc/56/96/94/346569694.db2.gz KDTSVUBYGSOGPO-ARJAWSKDSA-N 0 3 191.274 2.361 10 0 AEAEHN C/C=C\CNCc1cnc(CC)s1 384885335 346540734 /nfs/dbraw/zinc/54/07/34/346540734.db2.gz RXRORRRGNUGZLE-HYXAFXHYSA-N 0 3 196.319 2.371 10 0 AEAEHN Cc1nocc1CN[C@H](C)[C@H]1C[C@H]1C 398119582 346594441 /nfs/dbraw/zinc/59/44/41/346594441.db2.gz WJZSDTILTPSEDY-ZOFUNIGCSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1cc([C@@H]2NCC23CCC3)sn1 404463109 346644155 /nfs/dbraw/zinc/64/41/55/346644155.db2.gz SUPZQKMSHDSSAP-VIFPVBQESA-N 0 3 194.303 2.266 10 0 AEAEHN C[C@H](NCc1ccns1)C1CC1 404489262 346645444 /nfs/dbraw/zinc/64/54/44/346645444.db2.gz FYONJKSFHHINAK-ZETCQYMHSA-N 0 3 182.292 2.031 10 0 AEAEHN N[C@H](c1cnsc1)[C@H]1C[C@@H]2C[C@@H]2C1 404865508 346653950 /nfs/dbraw/zinc/65/39/50/346653950.db2.gz VQCUROWOYRBMJM-ODHVRURNSA-N 0 3 194.303 2.189 10 0 AEAEHN c1nscc1[C@@H]1CCCCCN1 404981687 346655589 /nfs/dbraw/zinc/65/55/89/346655589.db2.gz GPZUEVKUGVPTRQ-VIFPVBQESA-N 0 3 182.292 2.348 10 0 AEAEHN CC1(CNCc2ccns2)CCC1 404497663 346645959 /nfs/dbraw/zinc/64/59/59/346645959.db2.gz TYDQAOSDWORSPD-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN CC(C)[C@H](C)NCc1ccns1 404508182 346646051 /nfs/dbraw/zinc/64/60/51/346646051.db2.gz NVVWAEHKEYBLJI-QMMMGPOBSA-N 0 3 184.308 2.277 10 0 AEAEHN c1ccc2c(c1)OC[C@H]2N1CCCC1 584612825 346728590 /nfs/dbraw/zinc/72/85/90/346728590.db2.gz POZMZPHZAWFNNX-LLVKDONJSA-N 0 3 189.258 2.216 10 0 AEAEHN CC(C)N1CCCC[C@H]1c1cnno1 616615132 347122255 /nfs/dbraw/zinc/12/22/55/347122255.db2.gz DHHZUJGZIVKNAK-VIFPVBQESA-N 0 3 195.266 2.005 10 0 AEAEHN CCN1CCC[C@@H](c2ccno2)CC1 616609548 347113928 /nfs/dbraw/zinc/11/39/28/347113928.db2.gz BCKMXXWVZGRGSZ-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCC[C@@H](c2ncco2)CC1 616610459 347114854 /nfs/dbraw/zinc/11/48/54/347114854.db2.gz JYXBLTSSXVTIIW-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCCC[C@@H](c2cnoc2)C1 616654886 347155901 /nfs/dbraw/zinc/15/59/01/347155901.db2.gz QYFMNNPLICYETK-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCC[C@H](c2cnco2)CC1 616628995 347130803 /nfs/dbraw/zinc/13/08/03/347130803.db2.gz RXKBMPZUVRTNRG-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCO[C@H](C(C)(C)C)CC1 616687274 347168826 /nfs/dbraw/zinc/16/88/26/347168826.db2.gz ROHSCKRFPQANQV-JTQLQIEISA-N 0 3 185.311 2.143 10 0 AEAEHN c1ccc(CN(C2CC2)C2CC2)nc1 625836996 347293231 /nfs/dbraw/zinc/29/32/31/347293231.db2.gz BRMNORYUCIQYPD-UHFFFAOYSA-N 0 3 188.274 2.208 10 0 AEAEHN CC[C@H]1CCCN1Cc1cnc(C)o1 628153036 347308216 /nfs/dbraw/zinc/30/82/16/347308216.db2.gz YBSIQGDDXMPAKN-JTQLQIEISA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ncc(CN(C)CCC2CC2)o1 628191036 347308988 /nfs/dbraw/zinc/30/89/88/347308988.db2.gz XRSXRJNKQOFALF-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1ncc(CN2[C@H](C)CC[C@H]2C)o1 628190611 347309526 /nfs/dbraw/zinc/30/95/26/347309526.db2.gz KURBRFFNNXZZMA-RKDXNWHRSA-N 0 3 194.278 2.356 10 0 AEAEHN CC[C@@]1(C)CCCN(CC(C)=O)C1 639502610 347521268 /nfs/dbraw/zinc/52/12/68/347521268.db2.gz BNVBPQREFQXFCH-NSHDSACASA-N 0 3 183.295 2.088 10 0 AEAEHN c1cc(NCC[C@H]2CCCO2)ccn1 38097470 351479422 /nfs/dbraw/zinc/47/94/22/351479422.db2.gz UJZAJCOKRCPOED-LLVKDONJSA-N 0 3 192.262 2.063 10 0 AEAEHN NCc1cc(-c2ccsn2)cs1 306541243 351943468 /nfs/dbraw/zinc/94/34/68/351943468.db2.gz SJRYUEIKMNQBGV-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN C[C@@H]1CSC(N[C@@]23CCC[C@@H]2C3)=N1 575479894 352302334 /nfs/dbraw/zinc/30/23/34/352302334.db2.gz IUVQUERBOQPDFD-NQMVMOMDSA-N 0 3 196.319 2.010 10 0 AEAEHN Cc1ncc([C@H](N)[C@H]2CC2(C)C)s1 575490818 352359457 /nfs/dbraw/zinc/35/94/57/352359457.db2.gz MIMBQZKKTWCKOW-VXNVDRBHSA-N 0 3 196.319 2.497 10 0 AEAEHN CCC1(CC)NCCc2ccoc21 575491346 352361467 /nfs/dbraw/zinc/36/14/67/352361467.db2.gz IPHCSFKHVLWVPP-UHFFFAOYSA-N 0 3 179.263 2.441 10 0 AEAEHN CCC[C@@]1(C)NCCc2occc21 575516998 352495274 /nfs/dbraw/zinc/49/52/74/352495274.db2.gz BYHPDTUFRBVVHY-LLVKDONJSA-N 0 3 179.263 2.441 10 0 AEAEHN N[C@]1(c2cncs2)CCCC12CC2 575545873 352623724 /nfs/dbraw/zinc/62/37/24/352623724.db2.gz NUYRQQGCZJVTAJ-JTQLQIEISA-N 0 3 194.303 2.261 10 0 AEAEHN CC1(C)C[C@@]1(C)[C@H](N)C1=CCCO1 575553639 352649070 /nfs/dbraw/zinc/64/90/70/352649070.db2.gz BTGQWEVRJSJMMS-KOLCDFICSA-N 0 3 181.279 2.054 10 0 AEAEHN CC1(C)C[C@]1(C)[C@@H](N)C1=CCCO1 575553638 352649078 /nfs/dbraw/zinc/64/90/78/352649078.db2.gz BTGQWEVRJSJMMS-GXSJLCMTSA-N 0 3 181.279 2.054 10 0 AEAEHN CC1(C)C[C@]1(C)[C@H](N)C1=CCCO1 575553640 352649130 /nfs/dbraw/zinc/64/91/30/352649130.db2.gz BTGQWEVRJSJMMS-MWLCHTKSSA-N 0 3 181.279 2.054 10 0 AEAEHN C[C@H]1CCC[C@@]1(N)c1cscn1 575554920 352654334 /nfs/dbraw/zinc/65/43/34/352654334.db2.gz IENMETVJUGKTGM-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H](Nc1ccncc1)C1(C)CC1 575546371 352624831 /nfs/dbraw/zinc/62/48/31/352624831.db2.gz RMEVMSKCQUNNDG-SECBINFHSA-N 0 3 176.263 2.104 10 0 AEAEHN CC1(C)C[C@@](N)(c2ccsc2)CO1 575549485 352634663 /nfs/dbraw/zinc/63/46/63/352634663.db2.gz LQHUVFYXAZEAJH-JTQLQIEISA-N 0 3 197.303 2.101 10 0 AEAEHN Cc1nc(C2(N)CC(C)(C)C2)cs1 575561075 352679687 /nfs/dbraw/zinc/67/96/87/352679687.db2.gz NXJHXODNHMLPOG-UHFFFAOYSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1sccc1[C@@]1(N)CCO[C@@H]1C 575561418 352681354 /nfs/dbraw/zinc/68/13/54/352681354.db2.gz OSTSPVORKOAYFP-PSASIEDQSA-N 0 3 197.303 2.019 10 0 AEAEHN C/C=C/[C@@H](N)c1ncc(C)cc1C 575563979 352693677 /nfs/dbraw/zinc/69/36/77/352693677.db2.gz YFIFYDUNENMRJN-ORAHPGNNSA-N 0 3 176.263 2.274 10 0 AEAEHN C/C=C/[C@H](N)c1ccc(C)nc1C 575565546 352702214 /nfs/dbraw/zinc/70/22/14/352702214.db2.gz CUWUCEAMKCZWFS-ZWNMCFTASA-N 0 3 176.263 2.274 10 0 AEAEHN Cc1ncc([C@](C)(N)[C@H]2C[C@H]2C)s1 575568573 352717050 /nfs/dbraw/zinc/71/70/50/352717050.db2.gz NPJPEEVELFVRFX-KDILMLJESA-N 0 3 196.319 2.281 10 0 AEAEHN C[C@@H]1C[C@](N)(c2ccsc2)[C@@H](C)O1 575573734 352743056 /nfs/dbraw/zinc/74/30/56/352743056.db2.gz ZONJDUWZYNVJSD-NQMVMOMDSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1ccns1 575573890 352743837 /nfs/dbraw/zinc/74/38/37/352743837.db2.gz ZQMFPVHCTPCYHB-YEPSODPASA-N 0 3 182.292 2.189 10 0 AEAEHN CC(C)(C)[C@@](C)(N)c1cnsc1 575579144 352770651 /nfs/dbraw/zinc/77/06/51/352770651.db2.gz KBSYPBQEAYSVOF-VIFPVBQESA-N 0 3 184.308 2.363 10 0 AEAEHN C[C@@H]1CCN[C@@H]([C@@H]2CC23CC3)S1 575580712 352778997 /nfs/dbraw/zinc/77/89/97/352778997.db2.gz FSPJLQMEDBZOFI-HRDYMLBCSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1cccnc1 575582911 352790482 /nfs/dbraw/zinc/79/04/82/352790482.db2.gz JAACXHGMTKSVEO-IEBDPFPHSA-N 0 3 176.263 2.128 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1cccnc1 575582912 352790823 /nfs/dbraw/zinc/79/08/23/352790823.db2.gz JAACXHGMTKSVEO-MIMYLULJSA-N 0 3 176.263 2.128 10 0 AEAEHN CC1(C)OCC[C@@]1(N)c1cccs1 575576235 352755748 /nfs/dbraw/zinc/75/57/48/352755748.db2.gz LLNAMYDXSQDZFZ-SNVBAGLBSA-N 0 3 197.303 2.101 10 0 AEAEHN COc1cccc(C)c1[C@@H](C)N 104579969 325617751 /nfs/dbraw/zinc/61/77/51/325617751.db2.gz CEOUGENUEZLTRB-MRVPVSSYSA-N 0 3 165.236 2.023 10 0 AEAEHN CCCCNCc1ccc(F)cn1 129955993 325622785 /nfs/dbraw/zinc/62/27/85/325622785.db2.gz YMCMQNGMODENII-UHFFFAOYSA-N 0 3 182.242 2.110 10 0 AEAEHN Cc1ccc(F)c2c(CN)nccc12 521401114 325645392 /nfs/dbraw/zinc/64/53/92/325645392.db2.gz LJZIBOBMEXBOTK-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN CC(C)CN1CC(Cc2ccco2)C1 529648376 325662422 /nfs/dbraw/zinc/66/24/22/325662422.db2.gz ASNMVEOPDTVPGV-UHFFFAOYSA-N 0 3 193.290 2.410 10 0 AEAEHN Cc1ncc(CNCC2CC=CC2)o1 529643251 325662431 /nfs/dbraw/zinc/66/24/31/325662431.db2.gz YLBOIAUJNYJGFT-UHFFFAOYSA-N 0 3 192.262 2.039 10 0 AEAEHN CC[C@@H]1CO[C@H](c2ccccc2)CN1 1656359 342954767 /nfs/dbraw/zinc/95/47/67/342954767.db2.gz VKCOXHBUQIUVSF-NEPJUHHUSA-N 0 3 191.274 2.126 10 0 AEAEHN CC[C@H]1CO[C@@H](c2ccccc2)CN1 1656356 342954835 /nfs/dbraw/zinc/95/48/35/342954835.db2.gz VKCOXHBUQIUVSF-NWDGAFQWSA-N 0 3 191.274 2.126 10 0 AEAEHN CC1CN(Cc2ccccc2)C1 1683041 342958053 /nfs/dbraw/zinc/95/80/53/342958053.db2.gz ZIWCHAZURPWYCB-UHFFFAOYSA-N 0 3 161.248 2.138 10 0 AEAEHN CCc1oc2ccccc2c1CN 2013909 342966454 /nfs/dbraw/zinc/96/64/54/342966454.db2.gz VVSUCVZKZJDFRK-UHFFFAOYSA-N 0 3 175.231 2.454 10 0 AEAEHN CC1=N[C@@H](C)Cc2ccccc21 2472833 342972327 /nfs/dbraw/zinc/97/23/27/342972327.db2.gz MFRSLKXLFAZRBP-QMMMGPOBSA-N 0 3 159.232 2.440 10 0 AEAEHN CC1=N[C@H](C)Cc2ccccc21 2472835 342972366 /nfs/dbraw/zinc/97/23/66/342972366.db2.gz MFRSLKXLFAZRBP-MRVPVSSYSA-N 0 3 159.232 2.440 10 0 AEAEHN CCCCC[C@H]1NCCS1 3599046 342982276 /nfs/dbraw/zinc/98/22/76/342982276.db2.gz MOVBGBMWKHJQKI-QMMMGPOBSA-N 0 3 159.298 2.229 10 0 endogenous,in-man AEAEHN CCCCC[C@@H]1NCCS1 3599047 342982390 /nfs/dbraw/zinc/98/23/90/342982390.db2.gz MOVBGBMWKHJQKI-MRVPVSSYSA-N 0 3 159.298 2.229 10 0 endogenous,in-man AEAEHN CC1(C)NCCO[C@H]1c1ccccc1 3640746 342983157 /nfs/dbraw/zinc/98/31/57/342983157.db2.gz GAWYXLVYEOEEEN-NSHDSACASA-N 0 3 191.274 2.126 10 0 AEAEHN C[C@H](N)c1nc2c(s1)CCCCC2 3708712 342983733 /nfs/dbraw/zinc/98/37/33/342983733.db2.gz YDMCERABGNXVGB-ZETCQYMHSA-N 0 3 196.319 2.432 10 0 AEAEHN CCCCn1ccnc1CNC(C)C 4243945 342989518 /nfs/dbraw/zinc/98/95/18/342989518.db2.gz CYOFDGSQELYGSC-UHFFFAOYSA-N 0 3 195.310 2.181 10 0 AEAEHN CCCCCC1C=CC(=O)O1 5513289 343004136 /nfs/dbraw/zinc/00/41/36/343004136.db2.gz MXZSZHJBUODOJK-MRVPVSSYSA-N 0 3 154.209 2.048 10 0 endogenous,in-man AEAEHN CCCCCC1C=CC(=O)O1 5513439 343004269 /nfs/dbraw/zinc/00/42/69/343004269.db2.gz MXZSZHJBUODOJK-QMMMGPOBSA-N 0 3 154.209 2.048 10 0 endogenous,in-man AEAEHN CCCC[C@]1(C)NCCS1 5821987 343008754 /nfs/dbraw/zinc/00/87/54/343008754.db2.gz FRQZYPALTIYXIY-MRVPVSSYSA-N 0 3 159.298 2.229 10 0 AEAEHN CCCCCCC1C=CC(=O)O1 5820476 343008824 /nfs/dbraw/zinc/00/88/24/343008824.db2.gz DKHZWQLGZWVFFH-SECBINFHSA-N 0 3 168.236 2.438 10 0 AEAEHN CCCCCCC1C=CC(=O)O1 5820584 343008965 /nfs/dbraw/zinc/00/89/65/343008965.db2.gz DKHZWQLGZWVFFH-VIFPVBQESA-N 0 3 168.236 2.438 10 0 AEAEHN Cc1ccc(C)c(-c2c[nH]c(N)n2)c1 5905298 343009587 /nfs/dbraw/zinc/00/95/87/343009587.db2.gz DUFIMZRYDYAPRJ-UHFFFAOYSA-N 0 3 187.246 2.276 10 0 AEAEHN CN1CC=C(c2cccc(O)c2)CC1 5966279 343010733 /nfs/dbraw/zinc/01/07/33/343010733.db2.gz QNIPNOMEHDJBAL-UHFFFAOYSA-N 0 3 189.258 2.111 10 0 AEAEHN CN1CC=C(c2cccs2)CC1 5966298 343010801 /nfs/dbraw/zinc/01/08/01/343010801.db2.gz DOJTZGGAMMSDRP-UHFFFAOYSA-N 0 3 179.288 2.467 10 0 AEAEHN CN1CC=C(Cc2ccccc2)CC1 5966259 343010982 /nfs/dbraw/zinc/01/09/82/343010982.db2.gz ARYZGNSJMRABMB-UHFFFAOYSA-N 0 3 187.286 2.491 10 0 AEAEHN C[C@]1(Cc2ccccc2)NCCS1 6032168 343011598 /nfs/dbraw/zinc/01/15/98/343011598.db2.gz XFDASTCBLDRQCF-NSHDSACASA-N 0 3 193.315 2.282 10 0 AEAEHN Cc1ccc(CN(C)C)cc1 6070857 343012349 /nfs/dbraw/zinc/01/23/49/343012349.db2.gz JAOPKYRWYXCGOQ-UHFFFAOYSA-N 0 3 149.237 2.057 10 0 AEAEHN C[C@H](N)[C@H](F)c1ccccc1 6487408 343014816 /nfs/dbraw/zinc/01/48/16/343014816.db2.gz PPZYDZIZQRVGPE-CBAPKCEASA-N 0 3 153.200 2.044 10 0 AEAEHN CCn1c(CN)cc2ccccc21 9311774 343021631 /nfs/dbraw/zinc/02/16/31/343021631.db2.gz FTYMOLYZMYGVPO-UHFFFAOYSA-N 0 3 174.247 2.120 10 0 AEAEHN CC(C)[C@H](N)c1nc2c(s1)CCC2 11631794 343023366 /nfs/dbraw/zinc/02/33/66/343023366.db2.gz PXVMMDIRHNLITA-VIFPVBQESA-N 0 3 196.319 2.288 10 0 AEAEHN Cc1nc([C@H](N)C(C)C)sc1C 11631783 343023417 /nfs/dbraw/zinc/02/34/17/343023417.db2.gz NGVTZCNYPIJZFJ-MRVPVSSYSA-N 0 3 184.308 2.416 10 0 AEAEHN CC[C@@H](N)c1nc2c(s1)CCC2 11631731 343023470 /nfs/dbraw/zinc/02/34/70/343023470.db2.gz PZYOYDYCCGKDPJ-ZCFIWIBFSA-N 0 3 182.292 2.042 10 0 AEAEHN CC[C@H](N)c1nc2c(s1)CCCC2 11631734 343023509 /nfs/dbraw/zinc/02/35/09/343023509.db2.gz LDPCYQSANSTYIO-ZETCQYMHSA-N 0 3 196.319 2.432 10 0 AEAEHN CCc1csc([C@@H](N)CC)n1 11631724 343023588 /nfs/dbraw/zinc/02/35/88/343023588.db2.gz DTVSACIKYAUVJC-ZETCQYMHSA-N 0 3 170.281 2.115 10 0 AEAEHN Cc1nc([C@@H](N)C(C)C)sc1C 11631784 343023594 /nfs/dbraw/zinc/02/35/94/343023594.db2.gz NGVTZCNYPIJZFJ-QMMMGPOBSA-N 0 3 184.308 2.416 10 0 AEAEHN CC(C)c1ncc([C@H](C)N)s1 11760660 343024535 /nfs/dbraw/zinc/02/45/35/343024535.db2.gz VMGPMHCSBLBEJW-LURJTMIESA-N 0 3 170.281 2.286 10 0 AEAEHN Cc1cccc([C@@H](N)c2ccc[nH]2)c1 11822608 343024991 /nfs/dbraw/zinc/02/49/91/343024991.db2.gz FRIOKQTYPBBGSL-GFCCVEGCSA-N 0 3 186.258 2.371 10 0 AEAEHN CC1(C)CNC[C@@H](c2cccs2)O1 11803088 343025019 /nfs/dbraw/zinc/02/50/19/343025019.db2.gz HPCQFPXHPUZERM-QMMMGPOBSA-N 0 3 197.303 2.188 10 0 AEAEHN CC1(C)CNC[C@H](c2cccs2)O1 11803090 343025124 /nfs/dbraw/zinc/02/51/24/343025124.db2.gz HPCQFPXHPUZERM-MRVPVSSYSA-N 0 3 197.303 2.188 10 0 AEAEHN Cc1ccc([C@H](N)c2ccc[nH]2)cc1 11822708 343025137 /nfs/dbraw/zinc/02/51/37/343025137.db2.gz DNRBDLQMQQZOCN-LBPRGKRZSA-N 0 3 186.258 2.371 10 0 AEAEHN Cc1cccc([C@H](N)c2ccc[nH]2)c1 11822610 343025141 /nfs/dbraw/zinc/02/51/41/343025141.db2.gz FRIOKQTYPBBGSL-LBPRGKRZSA-N 0 3 186.258 2.371 10 0 AEAEHN Cc1ccc([C@@H](N)c2ccc[nH]2)cc1 11822703 343025164 /nfs/dbraw/zinc/02/51/64/343025164.db2.gz DNRBDLQMQQZOCN-GFCCVEGCSA-N 0 3 186.258 2.371 10 0 AEAEHN Cc1cc2c(cc1Cl)[C@@H](N)CCO2 11849019 343025397 /nfs/dbraw/zinc/02/53/97/343025397.db2.gz SYGAGOVSBFCPGX-VIFPVBQESA-N 0 3 197.665 2.431 10 0 AEAEHN Cc1cc2c(cc1Cl)[C@H](N)CCO2 11849018 343025725 /nfs/dbraw/zinc/02/57/25/343025725.db2.gz SYGAGOVSBFCPGX-SECBINFHSA-N 0 3 197.665 2.431 10 0 AEAEHN C[C@H]1C[C@@]1(N)c1ccccc1F 11886194 343025948 /nfs/dbraw/zinc/02/59/48/343025948.db2.gz VVZSOIAUIWWFRI-XVKPBYJWSA-N 0 3 165.211 2.020 10 0 AEAEHN C[C@H]1C[C@]1(N)c1ccccc1F 11886199 343026146 /nfs/dbraw/zinc/02/61/46/343026146.db2.gz VVZSOIAUIWWFRI-OIBJUYFYSA-N 0 3 165.211 2.020 10 0 AEAEHN CCc1nc([C@@H](C)N)sc1C 11887353 343026173 /nfs/dbraw/zinc/02/61/73/343026173.db2.gz KORQMGKCKVJCQR-RXMQYKEDSA-N 0 3 170.281 2.034 10 0 AEAEHN CN1CCC[C@H](c2cccc(O)c2)C1 13651748 343036779 /nfs/dbraw/zinc/03/67/79/343036779.db2.gz DKJJTEBJFLYIIS-NSHDSACASA-N 0 3 191.274 2.201 10 0 AEAEHN CN1CCC[C@@H](c2cccc(O)c2)C1 13651749 343036845 /nfs/dbraw/zinc/03/68/45/343036845.db2.gz DKJJTEBJFLYIIS-LLVKDONJSA-N 0 3 191.274 2.201 10 0 AEAEHN CC(C)OC[C@@H](N)c1ccccc1 19263066 343052618 /nfs/dbraw/zinc/05/26/18/343052618.db2.gz SQLLJZQWURQSHM-LLVKDONJSA-N 0 3 179.263 2.111 10 0 AEAEHN CC1(C)NC[C@@H](c2ccccc2)O1 21300643 343075122 /nfs/dbraw/zinc/07/51/22/343075122.db2.gz WADRXVPBDAHDJK-JTQLQIEISA-N 0 3 177.247 2.084 10 0 AEAEHN CC1(C)NC[C@H](c2ccccc2)O1 21300648 343075185 /nfs/dbraw/zinc/07/51/85/343075185.db2.gz WADRXVPBDAHDJK-SNVBAGLBSA-N 0 3 177.247 2.084 10 0 AEAEHN CCC(=O)Nc1ccccc1[C@@H](C)N 22210154 343080689 /nfs/dbraw/zinc/08/06/89/343080689.db2.gz DOEMCCBWTPOQQK-MRVPVSSYSA-N 0 3 192.262 2.055 10 0 AEAEHN CCC(=O)Nc1ccccc1[C@H](C)N 22210157 343080928 /nfs/dbraw/zinc/08/09/28/343080928.db2.gz DOEMCCBWTPOQQK-QMMMGPOBSA-N 0 3 192.262 2.055 10 0 AEAEHN CCCCNCc1nccs1 22861858 343082282 /nfs/dbraw/zinc/08/22/82/343082282.db2.gz DBLNFJWHIUVUAO-UHFFFAOYSA-N 0 3 170.281 2.033 10 0 AEAEHN Cc1noc(C)c1CN1CCCCC1 24547637 343085785 /nfs/dbraw/zinc/08/57/85/343085785.db2.gz HZJQJCOJTLQPOC-UHFFFAOYSA-N 0 3 194.278 2.277 10 0 AEAEHN CCC(C)(C)NC1=NCCCS1 26516288 343089671 /nfs/dbraw/zinc/08/96/71/343089671.db2.gz GJNHVSVRSKUBCB-UHFFFAOYSA-N 0 3 186.324 2.258 10 0 AEAEHN CN(C)[C@@H]1CCCc2ccncc21 27192090 343091095 /nfs/dbraw/zinc/09/10/95/343091095.db2.gz NIYRJBGYQWFLAO-LLVKDONJSA-N 0 3 176.263 2.021 10 0 AEAEHN CN(C)[C@H]1CCCc2ccncc21 27192096 343091279 /nfs/dbraw/zinc/09/12/79/343091279.db2.gz NIYRJBGYQWFLAO-NSHDSACASA-N 0 3 176.263 2.021 10 0 AEAEHN CN(Cc1ccccc1)C1CC1 28764264 343092365 /nfs/dbraw/zinc/09/23/65/343092365.db2.gz CZZTXRVBXKBAFE-UHFFFAOYSA-N 0 3 161.248 2.281 10 0 AEAEHN CC[C@H](N)c1cnc2c(C)cccn12 31911672 343094752 /nfs/dbraw/zinc/09/47/52/343094752.db2.gz ODAPBKBFXPMORH-VIFPVBQESA-N 0 3 189.262 2.053 10 0 AEAEHN CC[C@@H](N)c1cnc2c(C)cccn12 31911670 343094755 /nfs/dbraw/zinc/09/47/55/343094755.db2.gz ODAPBKBFXPMORH-SECBINFHSA-N 0 3 189.262 2.053 10 0 AEAEHN Cc1ccccc1[C@H]1CNC[C@H](C)O1 32008405 343096761 /nfs/dbraw/zinc/09/67/61/343096761.db2.gz UVVUMQWSEWLMNY-CMPLNLGQSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1ccccc1[C@H]1CNC[C@@H](C)O1 32008403 343096799 /nfs/dbraw/zinc/09/67/99/343096799.db2.gz UVVUMQWSEWLMNY-ZYHUDNBSSA-N 0 3 191.274 2.044 10 0 AEAEHN Cc1ccc(C)c2c(N)ccnc12 32099401 343097831 /nfs/dbraw/zinc/09/78/31/343097831.db2.gz UMDZTIYWZSHDGB-UHFFFAOYSA-N 0 3 172.231 2.434 10 0 AEAEHN Cc1nc(C2(N)CCCC2)sc1C 33487359 343105023 /nfs/dbraw/zinc/10/50/23/343105023.db2.gz RCDGKWSOPIIMBA-UHFFFAOYSA-N 0 3 196.319 2.488 10 0 AEAEHN CN(C)[C@@H]1CCCc2ccc(O)cc21 33645068 343105742 /nfs/dbraw/zinc/10/57/42/343105742.db2.gz PJLKHYMIWPSKIH-GFCCVEGCSA-N 0 3 191.274 2.331 10 0 AEAEHN CN[C@@H]1c2cccc3cccc(c23)[C@H]1O 34027553 343108827 /nfs/dbraw/zinc/10/88/27/343108827.db2.gz WVOMXVUXVVWHQB-CHWSQXEVSA-N 0 3 199.253 2.147 10 0 AEAEHN c1cc(N2CCCCCC2)ccn1 33992224 343109063 /nfs/dbraw/zinc/10/90/63/343109063.db2.gz QEJLOHRTWXIVFX-UHFFFAOYSA-N 0 3 176.263 2.462 10 0 AEAEHN CN[C@H]1c2cccc3cccc(c23)[C@H]1O 34027554 343109077 /nfs/dbraw/zinc/10/90/77/343109077.db2.gz WVOMXVUXVVWHQB-QWHCGFSZSA-N 0 3 199.253 2.147 10 0 AEAEHN CN[C@H]1c2cccc3cccc(c23)[C@@H]1O 34027552 343109081 /nfs/dbraw/zinc/10/90/81/343109081.db2.gz WVOMXVUXVVWHQB-STQMWFEESA-N 0 3 199.253 2.147 10 0 AEAEHN CN[C@@H]1c2cccc3cccc(c23)[C@@H]1O 34027551 343109089 /nfs/dbraw/zinc/10/90/89/343109089.db2.gz WVOMXVUXVVWHQB-OLZOCXBDSA-N 0 3 199.253 2.147 10 0 AEAEHN CCCN(CCC)COCC 34091662 343110230 /nfs/dbraw/zinc/11/02/30/343110230.db2.gz KZGFTKAJCVXVJI-UHFFFAOYSA-N 0 3 159.273 2.102 10 0 AEAEHN Nc1cccc([C@H](N)c2ccccc2)c1 34480742 343119991 /nfs/dbraw/zinc/11/99/91/343119991.db2.gz PAGUZWYDCUYZSG-CYBMUJFWSA-N 0 3 198.269 2.317 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N1c1ccncc1 34499796 343120478 /nfs/dbraw/zinc/12/04/78/343120478.db2.gz ZCLWLEJZXIHMFY-NXEZZACHSA-N 0 3 176.263 2.459 10 0 AEAEHN CCC(C)(C)Oc1ccc(CN)cn1 34958111 343126462 /nfs/dbraw/zinc/12/64/62/343126462.db2.gz BXNVSGKHLBPTNW-UHFFFAOYSA-N 0 3 194.278 2.108 10 0 AEAEHN CCC(C)(C)Oc1ncccc1CN 34958110 343126523 /nfs/dbraw/zinc/12/65/23/343126523.db2.gz XOMPLVFEXVZBBR-UHFFFAOYSA-N 0 3 194.278 2.108 10 0 AEAEHN CC1CCN(CC(=O)C(C)(C)C)CC1 34989707 343127172 /nfs/dbraw/zinc/12/71/72/343127172.db2.gz KOTARZFDOYEJPI-UHFFFAOYSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H]1CCCCN1CC(=O)C(C)(C)C 34989806 343127307 /nfs/dbraw/zinc/12/73/07/343127307.db2.gz XWIWAYHNLYVMCY-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)[C@@H](C)NC1=NC[C@@H](C)S1 35287022 343131118 /nfs/dbraw/zinc/13/11/18/343131118.db2.gz PMCYEEWIWOZQJY-HTQZYQBOSA-N 0 3 186.324 2.112 10 0 AEAEHN CC1(C)CSC(NC(C)(C)C)=N1 35287105 343131179 /nfs/dbraw/zinc/13/11/79/343131179.db2.gz AIVCJSRBDUHBNK-UHFFFAOYSA-N 0 3 186.324 2.256 10 0 AEAEHN C[C@H]1CSC(NC2CCCCC2)=N1 35287079 343131196 /nfs/dbraw/zinc/13/11/96/343131196.db2.gz ZLSPTOJFPHHITA-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN CC(C)[C@@H](C)NC1=N[C@H](C)CS1 35287018 343131210 /nfs/dbraw/zinc/13/12/10/343131210.db2.gz BFVIGIWGNWLDID-HTQZYQBOSA-N 0 3 186.324 2.112 10 0 AEAEHN CC(C)[C@H](C)NC1=N[C@H](C)CS1 35287015 343131218 /nfs/dbraw/zinc/13/12/18/343131218.db2.gz BFVIGIWGNWLDID-SFYZADRCSA-N 0 3 186.324 2.112 10 0 AEAEHN CCC(C)(C)NC1=NC[C@H](C)S1 35287091 343131226 /nfs/dbraw/zinc/13/12/26/343131226.db2.gz RWWAUHAZGDNHHN-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN CCC(C)(C)NC1=N[C@@H](C)CS1 35287090 343131237 /nfs/dbraw/zinc/13/12/37/343131237.db2.gz DKGVYJGLLMJPRN-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@H]1CNC[C@@H](c2ccccc2)O1 35285220 343131249 /nfs/dbraw/zinc/13/12/49/343131249.db2.gz CYBGOTNQYFPQME-RYUDHWBXSA-N 0 3 191.274 2.126 10 0 AEAEHN CC(C)[C@H](C)NC1=N[C@@H](C)CS1 35287016 343131253 /nfs/dbraw/zinc/13/12/53/343131253.db2.gz BFVIGIWGNWLDID-YUMQZZPRSA-N 0 3 186.324 2.112 10 0 AEAEHN CC[C@@H]1CSC(NC2CCCC2)=N1 35287162 343131269 /nfs/dbraw/zinc/13/12/69/343131269.db2.gz GDZHDIFKAJQBBL-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CC(C)[C@H](C)NC1=NC[C@@H](C)S1 35287020 343131291 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/nfs/dbraw/zinc/16/51/10/343165110.db2.gz VFJNFOPXOQHRNJ-NSHDSACASA-N 0 3 195.306 2.373 10 0 AEAEHN C[C@H]1CCCN([C@@H]2CCCCC2=O)C1 37332552 343165120 /nfs/dbraw/zinc/16/51/20/343165120.db2.gz ZODWBUHLIJDQRC-WDEREUQCSA-N 0 3 195.306 2.230 10 0 AEAEHN CN(C1CCCCC1)[C@@H]1CCCC1=O 37333180 343165173 /nfs/dbraw/zinc/16/51/73/343165173.db2.gz PIOHUQHSMKIONF-LLVKDONJSA-N 0 3 195.306 2.373 10 0 AEAEHN C[C@H]1CCCCN1[C@@H]1CCCCC1=O 37332282 343165320 /nfs/dbraw/zinc/16/53/20/343165320.db2.gz OHQGQHKPKPMMIJ-WDEREUQCSA-N 0 3 195.306 2.373 10 0 AEAEHN CC[C@@H]1CCCCN1[C@@H]1CCCC1=O 37334574 343165332 /nfs/dbraw/zinc/16/53/32/343165332.db2.gz JXFPYWNIFGSDTM-GHMZBOCLSA-N 0 3 195.306 2.373 10 0 AEAEHN CN(C1CCCC1)[C@@H]1CCCCC1=O 37334684 343165519 /nfs/dbraw/zinc/16/55/19/343165519.db2.gz VFJNFOPXOQHRNJ-LLVKDONJSA-N 0 3 195.306 2.373 10 0 AEAEHN CC(=O)CN1CCC[C@H]2CCCC[C@@H]21 37340325 343165819 /nfs/dbraw/zinc/16/58/19/343165819.db2.gz MYXTXDGEBFZFKQ-NEPJUHHUSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@H]1CCCN([C@@H](C)C(C)=O)C1 37339478 343165916 /nfs/dbraw/zinc/16/59/16/343165916.db2.gz ISAWORMFVKJLBU-ONGXEEELSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](N)c1nc2c(F)cccc2[nH]1 37442318 343168182 /nfs/dbraw/zinc/16/81/82/343168182.db2.gz IFESRHUKGUTSQJ-ZETCQYMHSA-N 0 3 193.225 2.112 10 0 AEAEHN CC[C@@H](N)c1nc2c(F)cccc2[nH]1 37442320 343168227 /nfs/dbraw/zinc/16/82/27/343168227.db2.gz IFESRHUKGUTSQJ-SSDOTTSWSA-N 0 3 193.225 2.112 10 0 AEAEHN CC(C)c1c[nH]c(C2(N)CCCC2)n1 37479659 343171019 /nfs/dbraw/zinc/17/10/19/343171019.db2.gz MUPOTWPRRFLQRS-UHFFFAOYSA-N 0 3 193.294 2.261 10 0 AEAEHN Cc1ncc(CNC(C)(C)C)s1 37505555 343172032 /nfs/dbraw/zinc/17/20/32/343172032.db2.gz OVQCBNONHFOMGZ-UHFFFAOYSA-N 0 3 184.308 2.340 10 0 AEAEHN CC(C)N(C)[C@H]1CCCCCC1=O 37660932 343173255 /nfs/dbraw/zinc/17/32/55/343173255.db2.gz NKGAZPOUQGHSRO-JTQLQIEISA-N 0 3 183.295 2.228 10 0 AEAEHN CC(C)N(C)[C@@H]1CCCCCC1=O 37660931 343173364 /nfs/dbraw/zinc/17/33/64/343173364.db2.gz NKGAZPOUQGHSRO-SNVBAGLBSA-N 0 3 183.295 2.228 10 0 AEAEHN CCCN(C)[C@@H]1CCCCCC1=O 37661070 343173406 /nfs/dbraw/zinc/17/34/06/343173406.db2.gz UQYVKRCMQWOROR-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCCN(C)[C@H]1CCCCCC1=O 37661071 343173506 /nfs/dbraw/zinc/17/35/06/343173506.db2.gz UQYVKRCMQWOROR-JTQLQIEISA-N 0 3 183.295 2.230 10 0 AEAEHN c1cncc(CCNc2ccncc2)c1 37718612 343176613 /nfs/dbraw/zinc/17/66/13/343176613.db2.gz XUDLPOQUEANLQC-UHFFFAOYSA-N 0 3 199.257 2.131 10 0 AEAEHN c1cc(CNCCC2CCCC2)n[nH]1 37739696 343177390 /nfs/dbraw/zinc/17/73/90/343177390.db2.gz JWVLHCADYHMFQM-UHFFFAOYSA-N 0 3 193.294 2.080 10 0 AEAEHN Cc1cccc(CNCC(C)C)n1 37898527 343179605 /nfs/dbraw/zinc/17/96/05/343179605.db2.gz INUXWAVNJIFSMQ-UHFFFAOYSA-N 0 3 178.279 2.136 10 0 AEAEHN Cc1cccc(CNC2CCCC2)n1 37898630 343179805 /nfs/dbraw/zinc/17/98/05/343179805.db2.gz JDVSLKLWUDJRLX-UHFFFAOYSA-N 0 3 190.290 2.422 10 0 AEAEHN C[C@H]1CCCN1c1ccccc1CN 37909596 343180258 /nfs/dbraw/zinc/18/02/58/343180258.db2.gz WXZLWUBWWFGIPH-JTQLQIEISA-N 0 3 190.290 2.134 10 0 AEAEHN C[C@H]1CCCN1CC(=O)C(C)(C)C 37911543 343180492 /nfs/dbraw/zinc/18/04/92/343180492.db2.gz XFKHXWSBGQXREB-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@H](NC1CCCCC1)c1cc[nH]n1 37906315 343180582 /nfs/dbraw/zinc/18/05/82/343180582.db2.gz DQXUGGAEGDIZJI-VIFPVBQESA-N 0 3 193.294 2.393 10 0 AEAEHN CN(CC1CC1)[C@@H]1CCCCCC1=O 37925131 343181822 /nfs/dbraw/zinc/18/18/22/343181822.db2.gz XKYODCZJRMDDEV-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN CN(CC1CC1)[C@H]1CCCCCC1=O 37925132 343181826 /nfs/dbraw/zinc/18/18/26/343181826.db2.gz XKYODCZJRMDDEV-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN CCCCNCc1occc1C 37927288 343182222 /nfs/dbraw/zinc/18/22/22/343182222.db2.gz HZTYXEMHKLJKEW-UHFFFAOYSA-N 0 3 167.252 2.478 10 0 AEAEHN C[C@@H](N)[C@H](F)c1ccccc1 38847040 343191133 /nfs/dbraw/zinc/19/11/33/343191133.db2.gz PPZYDZIZQRVGPE-APPZFPTMSA-N 0 3 153.200 2.044 10 0 AEAEHN Nc1ccc([C@@H](N)c2ccccc2)cc1 39039349 343193409 /nfs/dbraw/zinc/19/34/09/343193409.db2.gz JOOHQYFIZYBBBQ-ZDUSSCGKSA-N 0 3 198.269 2.317 10 0 AEAEHN Nc1ccc([C@H](N)c2ccccc2)cc1 39039350 343193440 /nfs/dbraw/zinc/19/34/40/343193440.db2.gz JOOHQYFIZYBBBQ-CYBMUJFWSA-N 0 3 198.269 2.317 10 0 AEAEHN CC1=N[C@@H]2CCC[C@H]2C1 39094665 343197992 /nfs/dbraw/zinc/19/79/92/343197992.db2.gz MJHCTOFBWVYXSV-JGVFFNPUSA-N 0 3 123.199 2.020 10 0 AEAEHN CC1=N[C@@H]2CCC[C@@H]2C1 39094574 343198017 /nfs/dbraw/zinc/19/80/17/343198017.db2.gz MJHCTOFBWVYXSV-HTQZYQBOSA-N 0 3 123.199 2.020 10 0 AEAEHN CC1=N[C@H]2CCC[C@H]2C1 39094667 343198109 /nfs/dbraw/zinc/19/81/09/343198109.db2.gz MJHCTOFBWVYXSV-YUMQZZPRSA-N 0 3 123.199 2.020 10 0 AEAEHN CC1=N[C@H]2CCC[C@@H]2C1 39094663 343198216 /nfs/dbraw/zinc/19/82/16/343198216.db2.gz MJHCTOFBWVYXSV-SFYZADRCSA-N 0 3 123.199 2.020 10 0 AEAEHN CC(C)N1CC12CCCCC2 39103227 343198526 /nfs/dbraw/zinc/19/85/26/343198526.db2.gz GVUYPHZJTRAJMY-UHFFFAOYSA-N 0 3 153.269 2.413 10 0 AEAEHN CC(C)c1scc2c1CNC2 39104182 343199306 /nfs/dbraw/zinc/19/93/06/343199306.db2.gz AEYCEJYWFWOKIT-UHFFFAOYSA-N 0 3 167.277 2.475 10 0 AEAEHN Cc1ccc2cc3n(c2c1)CCNC3 39115155 343200914 /nfs/dbraw/zinc/20/09/14/343200914.db2.gz XSNBVERMPZEHLC-UHFFFAOYSA-N 0 3 186.258 2.053 10 0 AEAEHN Cc1cccc2c1cc1n2CCNC1 39115156 343201004 /nfs/dbraw/zinc/20/10/04/343201004.db2.gz MQLUNELUIXHDHZ-UHFFFAOYSA-N 0 3 186.258 2.053 10 0 AEAEHN Cc1ccc2c(c1)cc1n2CCNC1 39115210 343201371 /nfs/dbraw/zinc/20/13/71/343201371.db2.gz DNBQBRIEOPMTKR-UHFFFAOYSA-N 0 3 186.258 2.053 10 0 AEAEHN CC1(C)Cc2sccc2CN1 39116286 343201824 /nfs/dbraw/zinc/20/18/24/343201824.db2.gz BAHPFYBCOUGAGK-UHFFFAOYSA-N 0 3 167.277 2.172 10 0 AEAEHN Cc1cc2c(s1)CN(C)[C@H](C)C2 39123409 343202422 /nfs/dbraw/zinc/20/24/22/343202422.db2.gz MLGMCMWACNJKAL-SSDOTTSWSA-N 0 3 181.304 2.433 10 0 AEAEHN C[C@H]1c2sccc2CCN1C 39123423 343202449 /nfs/dbraw/zinc/20/24/49/343202449.db2.gz MWVDOIYOOUPDCD-ZETCQYMHSA-N 0 3 167.277 2.297 10 0 AEAEHN Cc1cc2c(s1)CCN(C)C2 39123387 343202480 /nfs/dbraw/zinc/20/24/80/343202480.db2.gz HGHXQFRSZLKXJY-UHFFFAOYSA-N 0 3 167.277 2.044 10 0 AEAEHN Cc1cc2c(s1)CN(C)[C@@H](C)C2 39123410 343202562 /nfs/dbraw/zinc/20/25/62/343202562.db2.gz MLGMCMWACNJKAL-ZETCQYMHSA-N 0 3 181.304 2.433 10 0 AEAEHN CCCN1CCc2sc(N)cc2C1 39123417 343202658 /nfs/dbraw/zinc/20/26/58/343202658.db2.gz ZHTKGXHHJQKKMM-UHFFFAOYSA-N 0 3 196.319 2.098 10 0 AEAEHN CC1(C)CNCc2ccsc21 39123403 343202736 /nfs/dbraw/zinc/20/27/36/343202736.db2.gz RSUXWDAKWIAKEC-UHFFFAOYSA-N 0 3 167.277 2.129 10 0 AEAEHN CCc1cc(N2CCCC2)ccn1 39147896 343204708 /nfs/dbraw/zinc/20/47/08/343204708.db2.gz GHARZXJFFKQQKX-UHFFFAOYSA-N 0 3 176.263 2.244 10 0 AEAEHN CC(C)(F)[C@H](N)c1ccccc1 39245151 343207793 /nfs/dbraw/zinc/20/77/93/343207793.db2.gz XUVZFQQBKHZBTK-SECBINFHSA-N 0 3 167.227 2.435 10 0 AEAEHN CC(C)(F)[C@@H](N)c1ccccc1 39245152 343207865 /nfs/dbraw/zinc/20/78/65/343207865.db2.gz XUVZFQQBKHZBTK-VIFPVBQESA-N 0 3 167.227 2.435 10 0 AEAEHN COc1ccc(C)cc1CN(C)C 39250334 343208537 /nfs/dbraw/zinc/20/85/37/343208537.db2.gz DFPLJLKICBZDFS-UHFFFAOYSA-N 0 3 179.263 2.065 10 0 AEAEHN C[C@H](N)[C@@](C)(F)c1ccccc1 39258277 343208682 /nfs/dbraw/zinc/20/86/82/343208682.db2.gz FIFSVXOOFDSKEK-WCBMZHEXSA-N 0 3 167.227 2.219 10 0 AEAEHN C[C@@H](N)[C@@](C)(F)c1ccccc1 39258278 343208819 /nfs/dbraw/zinc/20/88/19/343208819.db2.gz FIFSVXOOFDSKEK-PSASIEDQSA-N 0 3 167.227 2.219 10 0 AEAEHN CC1(C)CN=Cc2ccccc21 39407151 343212040 /nfs/dbraw/zinc/21/20/40/343212040.db2.gz ZUTLAFKQFJRAMP-UHFFFAOYSA-N 0 3 159.232 2.397 10 0 AEAEHN Cc1nn(C2CCCCC2)cc1CN 40538504 343219673 /nfs/dbraw/zinc/21/96/73/343219673.db2.gz PTOWQEAWVQMYCB-UHFFFAOYSA-N 0 3 193.294 2.155 10 0 AEAEHN CC(C)Oc1ccc2c(c1)CNCC2 40539066 343219731 /nfs/dbraw/zinc/21/97/31/343219731.db2.gz PANMAEWNIFTJBW-UHFFFAOYSA-N 0 3 191.274 2.120 10 0 AEAEHN C[C@H]1CN=C(NCC(C)(C)C)S1 40494744 343219784 /nfs/dbraw/zinc/21/97/84/343219784.db2.gz KTMCBBPBQWKKAP-ZETCQYMHSA-N 0 3 186.324 2.113 10 0 AEAEHN C[C@H]1CSC(NCC(C)(C)C)=N1 40494746 343219816 /nfs/dbraw/zinc/21/98/16/343219816.db2.gz QSKXMZMVCYYPQH-ZETCQYMHSA-N 0 3 186.324 2.113 10 0 AEAEHN C[C@@H]1CN=C(NCC(C)(C)C)S1 40494743 343219823 /nfs/dbraw/zinc/21/98/23/343219823.db2.gz KTMCBBPBQWKKAP-SSDOTTSWSA-N 0 3 186.324 2.113 10 0 AEAEHN CCc1nc(C)c([C@H](C)N)s1 40543773 343220166 /nfs/dbraw/zinc/22/01/66/343220166.db2.gz BUTOFQJNDPRERU-YFKPBYRVSA-N 0 3 170.281 2.034 10 0 AEAEHN CCc1nc(C)c([C@@H](C)N)s1 40543771 343220292 /nfs/dbraw/zinc/22/02/92/343220292.db2.gz BUTOFQJNDPRERU-RXMQYKEDSA-N 0 3 170.281 2.034 10 0 AEAEHN CC[C@@H]1OC[C@@H](CC(C)C)N[C@@H]1C 40797627 343223173 /nfs/dbraw/zinc/22/31/73/343223173.db2.gz PDSJESVDBFWEDT-MXWKQRLJSA-N 0 3 185.311 2.188 10 0 AEAEHN Cc1nc(C2CC2)sc1[C@@H](C)N 40993981 343225135 /nfs/dbraw/zinc/22/51/35/343225135.db2.gz YMWFYIPRNHABBI-RXMQYKEDSA-N 0 3 182.292 2.349 10 0 AEAEHN Cc1nc(C2CC2)sc1[C@H](C)N 40993984 343225261 /nfs/dbraw/zinc/22/52/61/343225261.db2.gz YMWFYIPRNHABBI-YFKPBYRVSA-N 0 3 182.292 2.349 10 0 AEAEHN Cc1ccc(-c2ncc(CN)s2)o1 40996842 343225303 /nfs/dbraw/zinc/22/53/03/343225303.db2.gz NKGWPRGVGOTUDM-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CNC(C)(C)c1nc(C)c(C)s1 41060598 343229646 /nfs/dbraw/zinc/22/96/46/343229646.db2.gz IWESXBFFJHFBDC-UHFFFAOYSA-N 0 3 184.308 2.214 10 0 AEAEHN CCc1nc([C@H](N)CC)sc1C 41059256 343229649 /nfs/dbraw/zinc/22/96/49/343229649.db2.gz XSSLCICHKVEIKC-SSDOTTSWSA-N 0 3 184.308 2.424 10 0 AEAEHN Cc1nc(C2(N)CCC2)sc1C 41060003 343229653 /nfs/dbraw/zinc/22/96/53/343229653.db2.gz OIBNKLILNNUBEL-UHFFFAOYSA-N 0 3 182.292 2.098 10 0 AEAEHN CC[C@](C)(N)c1nc(C)c(C)s1 41059576 343229669 /nfs/dbraw/zinc/22/96/69/343229669.db2.gz LQQLFCXZEOHOIJ-VIFPVBQESA-N 0 3 184.308 2.344 10 0 AEAEHN CNC1(c2nc(C)c(C)s2)CCC1 41060616 343229709 /nfs/dbraw/zinc/22/97/09/343229709.db2.gz ZOSFFIVYKMKLST-UHFFFAOYSA-N 0 3 196.319 2.359 10 0 AEAEHN Cc1nc([C@@H](N)C2CC2)sc1C 41059461 343229725 /nfs/dbraw/zinc/22/97/25/343229725.db2.gz AVBHKBLNVWUINC-QMMMGPOBSA-N 0 3 182.292 2.170 10 0 AEAEHN CCc1nc([C@@H](C)NC)sc1C 41060677 343229739 /nfs/dbraw/zinc/22/97/39/343229739.db2.gz CUVSWTCQIYSDRY-ZCFIWIBFSA-N 0 3 184.308 2.294 10 0 AEAEHN Cc1csc([C@](C)(N)C(C)C)n1 41059728 343229742 /nfs/dbraw/zinc/22/97/42/343229742.db2.gz FEVYAHOALNFHKE-SECBINFHSA-N 0 3 184.308 2.281 10 0 AEAEHN CC[C@](C)(NC)c1nc(C)cs1 41060463 343229745 /nfs/dbraw/zinc/22/97/45/343229745.db2.gz MXRCXXLBRNRNEK-VIFPVBQESA-N 0 3 184.308 2.296 10 0 AEAEHN CCC(N)(CC)c1nccs1 41059593 343229752 /nfs/dbraw/zinc/22/97/52/343229752.db2.gz IQSVLKHSMIPXKA-UHFFFAOYSA-N 0 3 170.281 2.117 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1nccs1 41059961 343229794 /nfs/dbraw/zinc/22/97/94/343229794.db2.gz CLKJGBYMOJHCBZ-NKWVEPMBSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@H](NC)c1nc(C)cs1 41060533 343229797 /nfs/dbraw/zinc/22/97/97/343229797.db2.gz RTIKATGNYRYQQF-ZETCQYMHSA-N 0 3 170.281 2.122 10 0 AEAEHN CC(C)c1csc(C(C)(C)N)n1 41059497 343229801 /nfs/dbraw/zinc/22/98/01/343229801.db2.gz DORBKHQGAZSFIO-UHFFFAOYSA-N 0 3 184.308 2.460 10 0 AEAEHN CC[C@](C)(N)c1nc2c(s1)CCC2 41059520 343229808 /nfs/dbraw/zinc/22/98/08/343229808.db2.gz DVKMXNCYHDAUBF-JTQLQIEISA-N 0 3 196.319 2.216 10 0 AEAEHN Cc1nc([C@@](C)(N)C2CC2)sc1C 41060000 343229815 /nfs/dbraw/zinc/22/98/15/343229815.db2.gz XIKIDWSYLWGDRM-JTQLQIEISA-N 0 3 196.319 2.344 10 0 AEAEHN CC[C@@H](NC)c1nc(C)c(C)s1 41060622 343229822 /nfs/dbraw/zinc/22/98/22/343229822.db2.gz ACWZQYNFLNRMAG-MRVPVSSYSA-N 0 3 184.308 2.430 10 0 AEAEHN CC[C@@](C)(N)c1nc(C)c(C)s1 41059577 343229836 /nfs/dbraw/zinc/22/98/36/343229836.db2.gz LQQLFCXZEOHOIJ-SECBINFHSA-N 0 3 184.308 2.344 10 0 AEAEHN Cc1nc([C@](C)(N)C2CC2)sc1C 41059999 343229839 /nfs/dbraw/zinc/22/98/39/343229839.db2.gz XIKIDWSYLWGDRM-SNVBAGLBSA-N 0 3 196.319 2.344 10 0 AEAEHN CNC(C)(C)c1nc2c(s1)CCC2 41060812 343229860 /nfs/dbraw/zinc/22/98/60/343229860.db2.gz ZMROIVORAIDVID-UHFFFAOYSA-N 0 3 196.319 2.086 10 0 AEAEHN Cc1csc([C@@](C)(N)C2CC2)n1 41059759 343229863 /nfs/dbraw/zinc/22/98/63/343229863.db2.gz PHHLHEQAJCDHPS-VIFPVBQESA-N 0 3 182.292 2.035 10 0 AEAEHN CCc1nc(C(C)(C)N)sc1C 41059486 343229874 /nfs/dbraw/zinc/22/98/74/343229874.db2.gz WLDAQSHHVKHZNB-UHFFFAOYSA-N 0 3 184.308 2.208 10 0 AEAEHN CCc1nc([C@@H](N)CC)sc1C 41059257 343229883 /nfs/dbraw/zinc/22/98/83/343229883.db2.gz XSSLCICHKVEIKC-ZETCQYMHSA-N 0 3 184.308 2.424 10 0 AEAEHN CC[C@@H](NC)c1nc(C)cs1 41060534 343229897 /nfs/dbraw/zinc/22/98/97/343229897.db2.gz RTIKATGNYRYQQF-SSDOTTSWSA-N 0 3 170.281 2.122 10 0 AEAEHN CNC1(c2nc(C)cs2)CCCC1 41060498 343229904 /nfs/dbraw/zinc/22/99/04/343229904.db2.gz UOFGYDCTTPAFNZ-UHFFFAOYSA-N 0 3 196.319 2.440 10 0 AEAEHN Cc1csc([C@](C)(N)C2CC2)n1 41059758 343229907 /nfs/dbraw/zinc/22/99/07/343229907.db2.gz PHHLHEQAJCDHPS-SECBINFHSA-N 0 3 182.292 2.035 10 0 AEAEHN CCc1nc(C(C)(C)NC)sc1C 41060662 343229920 /nfs/dbraw/zinc/22/99/20/343229920.db2.gz PWZWOVKBFGXLBQ-UHFFFAOYSA-N 0 3 198.335 2.468 10 0 AEAEHN CCc1nc([C@H](C)NC)sc1C 41060678 343229923 /nfs/dbraw/zinc/22/99/23/343229923.db2.gz CUVSWTCQIYSDRY-LURJTMIESA-N 0 3 184.308 2.294 10 0 AEAEHN CC[C@@](C)(N)c1nc2c(s1)CCC2 41059521 343229927 /nfs/dbraw/zinc/22/99/27/343229927.db2.gz DVKMXNCYHDAUBF-SNVBAGLBSA-N 0 3 196.319 2.216 10 0 AEAEHN CNC1(c2nc(C)cs2)CCC1 41060526 343229937 /nfs/dbraw/zinc/22/99/37/343229937.db2.gz MVZACTIWGBVQNO-UHFFFAOYSA-N 0 3 182.292 2.050 10 0 AEAEHN C[C@@H]1N[C@H](C)CO[C@@H]1c1cccs1 41062159 343230068 /nfs/dbraw/zinc/23/00/68/343230068.db2.gz MVYZJYKMMXRXFX-WEDXCCLWSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1N[C@H](C)CO[C@H]1c1cccs1 41062161 343230245 /nfs/dbraw/zinc/23/02/45/343230245.db2.gz MVYZJYKMMXRXFX-KHQFGBGNSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@H](N)c1csc([C@@H]2CCCO2)n1 41627866 343234902 /nfs/dbraw/zinc/23/49/02/343234902.db2.gz JEZDZAZCRFPYCO-XPUUQOCRSA-N 0 3 198.291 2.014 10 0 AEAEHN C[C@H](N)c1csc(C(C)(C)C)n1 41627837 343234914 /nfs/dbraw/zinc/23/49/14/343234914.db2.gz PGCMUTKLHDYEMU-LURJTMIESA-N 0 3 184.308 2.460 10 0 AEAEHN C[C@H](N)c1csc([C@H]2CCCO2)n1 41627872 343234920 /nfs/dbraw/zinc/23/49/20/343234920.db2.gz JEZDZAZCRFPYCO-POYBYMJQSA-N 0 3 198.291 2.014 10 0 AEAEHN CC(C)Cc1nc([C@H](C)N)cs1 41627828 343235076 /nfs/dbraw/zinc/23/50/76/343235076.db2.gz GCIDAEDHVUOKEU-ZETCQYMHSA-N 0 3 184.308 2.361 10 0 AEAEHN C[C@H](N)c1csc(-c2ccco2)n1 41628069 343235111 /nfs/dbraw/zinc/23/51/11/343235111.db2.gz ZYXBXSVPPWDPFG-LURJTMIESA-N 0 3 194.259 2.423 10 0 AEAEHN CCC1CCN([C@@H]2CCCC2=O)CC1 42447102 343243145 /nfs/dbraw/zinc/24/31/45/343243145.db2.gz KIDYYHCJDOCCSZ-LLVKDONJSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC1CCN([C@@H](C)C(C)=O)CC1 42447082 343243365 /nfs/dbraw/zinc/24/33/65/343243365.db2.gz ILBXRFOJFFARST-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CCC1CCN([C@H]2CCCC2=O)CC1 42447104 343243409 /nfs/dbraw/zinc/24/34/09/343243409.db2.gz KIDYYHCJDOCCSZ-NSHDSACASA-N 0 3 195.306 2.230 10 0 AEAEHN CC(=O)CN(C)[C@H]1CCC[C@@H](C)C1 42493804 343244132 /nfs/dbraw/zinc/24/41/32/343244132.db2.gz DWXKOCROKBWJHF-KOLCDFICSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N(C)[C@H]1CCC[C@H](C)C1 42493797 343244140 /nfs/dbraw/zinc/24/41/40/343244140.db2.gz UNWCZNGBNRHJKW-NHCYSSNCSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)CN(C)[C@H]1CCC[C@H](C)C1 42493805 343244337 /nfs/dbraw/zinc/24/43/37/343244337.db2.gz DWXKOCROKBWJHF-ONGXEEELSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N(C)[C@@H]1CCC[C@@H](C)C1 42493798 343244340 /nfs/dbraw/zinc/24/43/40/343244340.db2.gz UNWCZNGBNRHJKW-JFGNBEQYSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 42493807 343244384 /nfs/dbraw/zinc/24/43/84/343244384.db2.gz DWXKOCROKBWJHF-GXSJLCMTSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N(C)[C@H]1CCC[C@@H](C)C1 42493796 343244555 /nfs/dbraw/zinc/24/45/55/343244555.db2.gz UNWCZNGBNRHJKW-SCVCMEIPSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)[C@H](C)N(C)[C@@H]1CCC[C@H](C)C1 42493799 343244649 /nfs/dbraw/zinc/24/46/49/343244649.db2.gz UNWCZNGBNRHJKW-JBLDHEPKSA-N 0 3 197.322 2.474 10 0 AEAEHN CC[C@H](C)[C@H](C)N1CCC(=O)CC1 42556542 343246815 /nfs/dbraw/zinc/24/68/15/343246815.db2.gz ZWMROZCDZPLVBE-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@@H](C)[C@@H](C)N1CCC(=O)CC1 42556533 343246821 /nfs/dbraw/zinc/24/68/21/343246821.db2.gz ZWMROZCDZPLVBE-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](C)[C@@H](C)N1CCC(=O)CC1 42556536 343246982 /nfs/dbraw/zinc/24/69/82/343246982.db2.gz ZWMROZCDZPLVBE-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](C(C)C)N1CCC(=O)CC1 42590034 343247882 /nfs/dbraw/zinc/24/78/82/343247882.db2.gz YCXATAKVGNXBHD-LLVKDONJSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@@H](NC1=NCCS1)C(C)C 42592006 343248348 /nfs/dbraw/zinc/24/83/48/343248348.db2.gz FICGVSLLHHCELT-MRVPVSSYSA-N 0 3 186.324 2.113 10 0 AEAEHN CC[C@H](NC1=NCCS1)C(C)C 42592003 343248396 /nfs/dbraw/zinc/24/83/96/343248396.db2.gz FICGVSLLHHCELT-QMMMGPOBSA-N 0 3 186.324 2.113 10 0 AEAEHN Cc1ccsc1[C@@H](N)[C@@H]1CCCO1 42728948 343248845 /nfs/dbraw/zinc/24/88/45/343248845.db2.gz IUYXRAMMVZZDTL-IUCAKERBSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1ccsc1[C@H](N)[C@H]1CCCO1 42728949 343248857 /nfs/dbraw/zinc/24/88/57/343248857.db2.gz IUYXRAMMVZZDTL-RKDXNWHRSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1ccsc1[C@@H](N)[C@H]1CCCO1 42728951 343249049 /nfs/dbraw/zinc/24/90/49/343249049.db2.gz IUYXRAMMVZZDTL-BDAKNGLRSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1ccsc1[C@H](N)[C@@H]1CCCO1 42728946 343249068 /nfs/dbraw/zinc/24/90/68/343249068.db2.gz IUYXRAMMVZZDTL-DTWKUNHWSA-N 0 3 197.303 2.235 10 0 AEAEHN C[C@H](N(C)[C@@H]1CCCC1=O)C(C)(C)C 42774151 343249243 /nfs/dbraw/zinc/24/92/43/343249243.db2.gz DKVJHDHOWCGZJM-VHSXEESVSA-N 0 3 197.322 2.474 10 0 AEAEHN Cc1ccc(CN)c(OC(C)(C)C)n1 43396353 343252051 /nfs/dbraw/zinc/25/20/51/343252051.db2.gz LVFIXPAFWUJOFP-UHFFFAOYSA-N 0 3 194.278 2.026 10 0 AEAEHN CC[C@H](N)c1nc2c(C)cccc2[nH]1 43598515 343256219 /nfs/dbraw/zinc/25/62/19/343256219.db2.gz UEIIBGFKJFPWHB-QMMMGPOBSA-N 0 3 189.262 2.281 10 0 AEAEHN CC[C@H](N)c1nc2cccc(C)c2[nH]1 43598515 343256221 /nfs/dbraw/zinc/25/62/21/343256221.db2.gz UEIIBGFKJFPWHB-QMMMGPOBSA-N 0 3 189.262 2.281 10 0 AEAEHN CC[C@@H](N)c1nc2c(C)cccc2[nH]1 43598518 343256297 /nfs/dbraw/zinc/25/62/97/343256297.db2.gz UEIIBGFKJFPWHB-MRVPVSSYSA-N 0 3 189.262 2.281 10 0 AEAEHN CC[C@@H](N)c1nc2cccc(C)c2[nH]1 43598518 343256299 /nfs/dbraw/zinc/25/62/99/343256299.db2.gz UEIIBGFKJFPWHB-MRVPVSSYSA-N 0 3 189.262 2.281 10 0 AEAEHN Cc1cccc2[nH]c(C(C)(C)N)nc12 43601518 343256472 /nfs/dbraw/zinc/25/64/72/343256472.db2.gz AHTISDIGKFLJRY-UHFFFAOYSA-N 0 3 189.262 2.065 10 0 AEAEHN Cc1cccc2nc(C(C)(C)N)[nH]c12 43601518 343256474 /nfs/dbraw/zinc/25/64/74/343256474.db2.gz AHTISDIGKFLJRY-UHFFFAOYSA-N 0 3 189.262 2.065 10 0 AEAEHN Cc1ccc([C@H](N)[C@H]2C[C@@H]2C)o1 43609659 343256487 /nfs/dbraw/zinc/25/64/87/343256487.db2.gz WABSCUFFWQRXES-KADJCCMJSA-N 0 3 165.236 2.244 10 0 AEAEHN CC[C@@H](NC)c1ccc(C)o1 43610243 343256537 /nfs/dbraw/zinc/25/65/37/343256537.db2.gz XWLYTFBBWNKNEJ-MRVPVSSYSA-N 0 3 153.225 2.259 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ccco1 43606871 343256562 /nfs/dbraw/zinc/25/65/62/343256562.db2.gz MTSSIXQWHUZYFT-IONNQARKSA-N 0 3 153.225 2.326 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H]2C[C@@H]2C)o1 43609654 343256662 /nfs/dbraw/zinc/25/66/62/343256662.db2.gz WABSCUFFWQRXES-SKWCMTHISA-N 0 3 165.236 2.244 10 0 AEAEHN CC[C@@H](NC)c1ncccc1C 43616709 343256927 /nfs/dbraw/zinc/25/69/27/343256927.db2.gz NWKOQGPNGDSATI-SECBINFHSA-N 0 3 164.252 2.061 10 0 AEAEHN CCc1cccc2c1O[C@@H](C)[C@H]2N 43635217 343257105 /nfs/dbraw/zinc/25/71/05/343257105.db2.gz SLAOJPCKPNRJAZ-OIBJUYFYSA-N 0 3 177.247 2.030 10 0 AEAEHN Cc1ccc2c(c1)[C@H](N)[C@H](C)S2 43635870 343257112 /nfs/dbraw/zinc/25/71/12/343257112.db2.gz CWRRHOUHWINFTG-OIBJUYFYSA-N 0 3 179.288 2.489 10 0 AEAEHN Cc1ccc2c(c1C)O[C@H](C)[C@H]2N 43634162 343257123 /nfs/dbraw/zinc/25/71/23/343257123.db2.gz OOKHMGJXSYZYQA-PSASIEDQSA-N 0 3 177.247 2.084 10 0 AEAEHN Cc1cc(C)c2c(c1C)O[C@@H](C)[C@@H]2N 43633937 343257158 /nfs/dbraw/zinc/25/71/58/343257158.db2.gz WFFIRLPMEBZTFB-ONGXEEELSA-N 0 3 191.274 2.393 10 0 AEAEHN Cc1cc(C)c2c(c1C)O[C@H](C)[C@@H]2N 43633935 343257175 /nfs/dbraw/zinc/25/71/75/343257175.db2.gz WFFIRLPMEBZTFB-KOLCDFICSA-N 0 3 191.274 2.393 10 0 AEAEHN Cc1cc(C)c2c(c1C)O[C@H](C)[C@H]2N 43633939 343257183 /nfs/dbraw/zinc/25/71/83/343257183.db2.gz WFFIRLPMEBZTFB-MWLCHTKSSA-N 0 3 191.274 2.393 10 0 AEAEHN CCc1cccc2c1O[C@H](C)[C@@H]2N 43635209 343257193 /nfs/dbraw/zinc/25/71/93/343257193.db2.gz SLAOJPCKPNRJAZ-XCBNKYQSSA-N 0 3 177.247 2.030 10 0 AEAEHN Cc1ccc2c(c1C)OC(C)C2=O 43633115 343257201 /nfs/dbraw/zinc/25/72/01/343257201.db2.gz NCBKNHHGCRGCEX-QMMMGPOBSA-N 0 3 176.215 2.267 10 0 AEAEHN C[C@H]1Sc2c(F)cccc2[C@H]1N 43635962 343257206 /nfs/dbraw/zinc/25/72/06/343257206.db2.gz QVMLWIFCISWYTK-XRGYYRRGSA-N 0 3 183.251 2.320 10 0 AEAEHN C[C@H]1Sc2ccccc2[C@H]1N 43635886 343257224 /nfs/dbraw/zinc/25/72/24/343257224.db2.gz MGEXSVFSDBESSL-MUWHJKNJSA-N 0 3 165.261 2.181 10 0 AEAEHN Cc1ccc2c(c1C)O[C@H](C)[C@@H]2N 43634156 343257234 /nfs/dbraw/zinc/25/72/34/343257234.db2.gz OOKHMGJXSYZYQA-SCZZXKLOSA-N 0 3 177.247 2.084 10 0 AEAEHN Cc1cc(Cl)cc2c1O[C@@H](C)[C@H]2N 43633813 343257238 /nfs/dbraw/zinc/25/72/38/343257238.db2.gz CFQGUPGSPLIAHU-IMTBSYHQSA-N 0 3 197.665 2.429 10 0 AEAEHN CCc1cccc2c1O[C@H](C)[C@H]2NC 43635225 343257252 /nfs/dbraw/zinc/25/72/52/343257252.db2.gz KLDNVVAGJPGUKI-LDYMZIIASA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1cc2c(cc1C)C(=O)C(C)O2 43633102 343257277 /nfs/dbraw/zinc/25/72/77/343257277.db2.gz VDVWJDANBLMMOQ-QMMMGPOBSA-N 0 3 176.215 2.267 10 0 AEAEHN CCc1ccc2c(c1)[C@H](NC)[C@@H](C)O2 43634810 343257294 /nfs/dbraw/zinc/25/72/94/343257294.db2.gz QTDYOVJTIFQPMO-PRHODGIISA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1cc2c(cc1C)[C@@H](N)[C@@H](C)O2 43634064 343257303 /nfs/dbraw/zinc/25/73/03/343257303.db2.gz UYDOBNCAYBXXQX-KCJUWKMLSA-N 0 3 177.247 2.084 10 0 AEAEHN Cc1cc(Cl)cc2c1O[C@H](C)[C@H]2N 43633811 343257322 /nfs/dbraw/zinc/25/73/22/343257322.db2.gz CFQGUPGSPLIAHU-HZGVNTEJSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1cc(C)c2c(c1C)O[C@@H](C)[C@H]2N 43633940 343257328 /nfs/dbraw/zinc/25/73/28/343257328.db2.gz WFFIRLPMEBZTFB-GXSJLCMTSA-N 0 3 191.274 2.393 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](N)[C@@H](C)S2 43635873 343257348 /nfs/dbraw/zinc/25/73/48/343257348.db2.gz CWRRHOUHWINFTG-XCBNKYQSSA-N 0 3 179.288 2.489 10 0 AEAEHN CCc1cccc2c1O[C@H](C)[C@@H]2NC 43635220 343257393 /nfs/dbraw/zinc/25/73/93/343257393.db2.gz KLDNVVAGJPGUKI-KCJUWKMLSA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1ccc2c(c1)[C@@H](N)[C@H](C)S2 43635871 343257421 /nfs/dbraw/zinc/25/74/21/343257421.db2.gz CWRRHOUHWINFTG-XVKPBYJWSA-N 0 3 179.288 2.489 10 0 AEAEHN Cc1cc2c(cc1C)[C@H](N)[C@H](C)O2 43634069 343257425 /nfs/dbraw/zinc/25/74/25/343257425.db2.gz UYDOBNCAYBXXQX-GZMMTYOYSA-N 0 3 177.247 2.084 10 0 AEAEHN CCc1cccc2c1O[C@@H](C)[C@H]2NC 43635228 343257446 /nfs/dbraw/zinc/25/74/46/343257446.db2.gz KLDNVVAGJPGUKI-GZMMTYOYSA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1ccc2c(c1C)O[C@@H](C)[C@H]2N 43634165 343257449 /nfs/dbraw/zinc/25/74/49/343257449.db2.gz OOKHMGJXSYZYQA-WCBMZHEXSA-N 0 3 177.247 2.084 10 0 AEAEHN CCc1cccc2c1OC(C)C2=O 43633247 343257461 /nfs/dbraw/zinc/25/74/61/343257461.db2.gz DYSBVTNKINPTNA-ZETCQYMHSA-N 0 3 176.215 2.213 10 0 AEAEHN C[C@H]1Sc2ccc(F)cc2[C@H]1N 43635902 343257468 /nfs/dbraw/zinc/25/74/68/343257468.db2.gz QZDWEMTWUREXDO-ANLVUFKYSA-N 0 3 183.251 2.320 10 0 AEAEHN CCc1cccc2c1O[C@@H](C)[C@@H]2NC 43635223 343257482 /nfs/dbraw/zinc/25/74/82/343257482.db2.gz KLDNVVAGJPGUKI-KWQFWETISA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1cc(Cl)cc2c1O[C@@H](C)[C@@H]2N 43633808 343257485 /nfs/dbraw/zinc/25/74/85/343257485.db2.gz CFQGUPGSPLIAHU-RCOVLWMOSA-N 0 3 197.665 2.429 10 0 AEAEHN C[C@H]1Sc2ccc(F)cc2[C@@H]1N 43635906 343257488 /nfs/dbraw/zinc/25/74/88/343257488.db2.gz QZDWEMTWUREXDO-MLUIRONXSA-N 0 3 183.251 2.320 10 0 AEAEHN CCc1ccc2c(c1)[C@@H](NC)[C@H](C)O2 43634807 343257498 /nfs/dbraw/zinc/25/74/98/343257498.db2.gz QTDYOVJTIFQPMO-UFBFGSQYSA-N 0 3 191.274 2.290 10 0 AEAEHN Cc1ccc2c(c1)[C@H](N)[C@@H](C)S2 43635872 343257503 /nfs/dbraw/zinc/25/75/03/343257503.db2.gz CWRRHOUHWINFTG-GMSGAONNSA-N 0 3 179.288 2.489 10 0 AEAEHN C[C@H]1Sc2ccccc2[C@@H]1N 43642030 343257632 /nfs/dbraw/zinc/25/76/32/343257632.db2.gz MGEXSVFSDBESSL-HZGVNTEJSA-N 0 3 165.261 2.181 10 0 AEAEHN C[C@H]1Oc2c(Cl)cccc2[C@H]1N 43641554 343257733 /nfs/dbraw/zinc/25/77/33/343257733.db2.gz CUPFNSYQORBWAZ-XRGYYRRGSA-N 0 3 183.638 2.121 10 0 AEAEHN Cc1ccc(Cl)c2c1[C@H](N)[C@H](C)O2 43641941 343257873 /nfs/dbraw/zinc/25/78/73/343257873.db2.gz SBJUEZHPXRWPCG-IMTBSYHQSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1cccc(Cl)c1[C@@H](N)CCO 44235521 343262736 /nfs/dbraw/zinc/26/27/36/343262736.db2.gz YSNLKAQTSOTASB-VIFPVBQESA-N 0 3 199.681 2.031 10 0 AEAEHN Cc1cccc(Cl)c1[C@H](N)CCO 44235517 343262901 /nfs/dbraw/zinc/26/29/01/343262901.db2.gz YSNLKAQTSOTASB-SECBINFHSA-N 0 3 199.681 2.031 10 0 AEAEHN CCC(=O)CN1CCCCCCC1 50179627 343279408 /nfs/dbraw/zinc/27/94/08/343279408.db2.gz CMKNRKJEMLWQCU-UHFFFAOYSA-N 0 3 183.295 2.232 10 0 AEAEHN Cc1nc2c(s1)[C@H](N)CC(C)(C)C2 50331089 343281734 /nfs/dbraw/zinc/28/17/34/343281734.db2.gz GGRLIQQUWCNIPG-SSDOTTSWSA-N 0 3 196.319 2.424 10 0 AEAEHN CC1(C)Cc2ncsc2[C@@H](N)C1 50331142 343281792 /nfs/dbraw/zinc/28/17/92/343281792.db2.gz JFFAZYIJNQOCHU-LURJTMIESA-N 0 3 182.292 2.115 10 0 AEAEHN CCc1nc2c(s1)[C@@H](N)CCC2 50329891 343281745 /nfs/dbraw/zinc/28/17/45/343281745.db2.gz WUJWYFFHEJHDSW-LURJTMIESA-N 0 3 182.292 2.042 10 0 AEAEHN CCc1nc2c(s1)[C@H](N)CCC2 50329890 343281820 /nfs/dbraw/zinc/28/18/20/343281820.db2.gz WUJWYFFHEJHDSW-ZCFIWIBFSA-N 0 3 182.292 2.042 10 0 AEAEHN CC1(C)Cc2ncsc2[C@H](N)C1 50331141 343281846 /nfs/dbraw/zinc/28/18/46/343281846.db2.gz JFFAZYIJNQOCHU-ZCFIWIBFSA-N 0 3 182.292 2.115 10 0 AEAEHN CC[C@@H]1CO[C@H](c2ccsc2)CN1 50339937 343282103 /nfs/dbraw/zinc/28/21/03/343282103.db2.gz ULCPPWNKNOMGKB-ZJUUUORDSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@H]1CO[C@H](c2ccsc2)CN1 50339940 343282264 /nfs/dbraw/zinc/28/22/64/343282264.db2.gz ULCPPWNKNOMGKB-UWVGGRQHSA-N 0 3 197.303 2.188 10 0 AEAEHN Cc1ccc(CN)c(NC(C)(C)C)n1 50423180 343282699 /nfs/dbraw/zinc/28/26/99/343282699.db2.gz HCQKURYBPRKDOO-UHFFFAOYSA-N 0 3 193.294 2.059 10 0 AEAEHN CCCC1CCC2(CC1)CNCCO2 50503431 343283475 /nfs/dbraw/zinc/28/34/75/343283475.db2.gz QPEISARADSDJIR-UHFFFAOYSA-N 0 3 197.322 2.335 10 0 AEAEHN C[C@H](c1ccccc1)[C@H]1NCCS1 50522957 343283921 /nfs/dbraw/zinc/28/39/21/343283921.db2.gz MEGPXOOEQVDGGB-KOLCDFICSA-N 0 3 193.315 2.453 10 0 AEAEHN CC(=O)[C@H](C)N1CCC[C@@H](C)[C@H]1C 50565903 343284830 /nfs/dbraw/zinc/28/48/30/343284830.db2.gz HKBXDGCFZKDCOE-BBBLOLIVSA-N 0 3 183.295 2.084 10 0 AEAEHN CCC(=O)CN1CCC[C@H](C)[C@@H]1C 50565881 343284854 /nfs/dbraw/zinc/28/48/54/343284854.db2.gz YNYJBIHOTWWNHZ-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)CN1CCC[C@@H](C)[C@@H]1C 50565882 343284868 /nfs/dbraw/zinc/28/48/68/343284868.db2.gz YNYJBIHOTWWNHZ-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N1CCC[C@H](C)[C@H]1C 50565904 343284973 /nfs/dbraw/zinc/28/49/73/343284973.db2.gz HKBXDGCFZKDCOE-AEJSXWLSSA-N 0 3 183.295 2.084 10 0 AEAEHN Cn1ccnc1NCCC1CCCC1 50605978 343285138 /nfs/dbraw/zinc/28/51/38/343285138.db2.gz YYFYPNTVWFIHFO-UHFFFAOYSA-N 0 3 193.294 2.412 10 0 AEAEHN C[C@H]1CCCC[C@@H]1Nc1nccn1C 50605712 343285198 /nfs/dbraw/zinc/28/51/98/343285198.db2.gz SISVYQRXDDROAD-UWVGGRQHSA-N 0 3 193.294 2.411 10 0 AEAEHN C[C@H]1CCC[C@H](Nc2nccn2C)C1 50605794 343285220 /nfs/dbraw/zinc/28/52/20/343285220.db2.gz RQSTWJWERVKCQO-UWVGGRQHSA-N 0 3 193.294 2.411 10 0 AEAEHN CC[C@@H](Nc1nccn1C)C(C)C 50606344 343285234 /nfs/dbraw/zinc/28/52/34/343285234.db2.gz AFCMTYXMLSNWAO-SECBINFHSA-N 0 3 181.283 2.267 10 0 AEAEHN CCC(CC)Nc1nccn1C 50605593 343285499 /nfs/dbraw/zinc/28/54/99/343285499.db2.gz XOWAUCRFAISURK-UHFFFAOYSA-N 0 3 167.256 2.021 10 0 AEAEHN CC[C@H](C)[C@@H](C)Nc1nccn1C 50606298 343285401 /nfs/dbraw/zinc/28/54/01/343285401.db2.gz HNOBFRJVECVZGW-DTWKUNHWSA-N 0 3 181.283 2.267 10 0 AEAEHN CC[C@@H](C)[C@H](C)Nc1nccn1C 50606300 343285411 /nfs/dbraw/zinc/28/54/11/343285411.db2.gz HNOBFRJVECVZGW-BDAKNGLRSA-N 0 3 181.283 2.267 10 0 AEAEHN C[C@H]1CCC[C@@H](Nc2nccn2C)C1 50605798 343285422 /nfs/dbraw/zinc/28/54/22/343285422.db2.gz RQSTWJWERVKCQO-VHSXEESVSA-N 0 3 193.294 2.411 10 0 AEAEHN CC[C@H](Nc1nccn1C)C(C)C 50606341 343285435 /nfs/dbraw/zinc/28/54/35/343285435.db2.gz AFCMTYXMLSNWAO-VIFPVBQESA-N 0 3 181.283 2.267 10 0 AEAEHN CC[C@@H](C)[C@@H](C)Nc1nccn1C 50606295 343285451 /nfs/dbraw/zinc/28/54/51/343285451.db2.gz HNOBFRJVECVZGW-RKDXNWHRSA-N 0 3 181.283 2.267 10 0 AEAEHN CC(C)C[C@H](C)Nc1nccn1C 50605810 343285457 /nfs/dbraw/zinc/28/54/57/343285457.db2.gz GKJMAKIQNCOJIP-VIFPVBQESA-N 0 3 181.283 2.267 10 0 AEAEHN CC[C@H](C)[C@H](C)Nc1nccn1C 50606304 343285460 /nfs/dbraw/zinc/28/54/60/343285460.db2.gz HNOBFRJVECVZGW-IUCAKERBSA-N 0 3 181.283 2.267 10 0 AEAEHN CC(C)C[C@@H](C)Nc1nccn1C 50605807 343285517 /nfs/dbraw/zinc/28/55/17/343285517.db2.gz GKJMAKIQNCOJIP-SECBINFHSA-N 0 3 181.283 2.267 10 0 AEAEHN CCn1ccnc1NCC1CCC1 50608410 343285788 /nfs/dbraw/zinc/28/57/88/343285788.db2.gz QQFKBKJVSIXZQU-UHFFFAOYSA-N 0 3 179.267 2.115 10 0 AEAEHN CCCNc1cc(C)ccc1CN 51580096 343289938 /nfs/dbraw/zinc/28/99/38/343289938.db2.gz PRMNNTZYXSBWNG-UHFFFAOYSA-N 0 3 178.279 2.276 10 0 AEAEHN Cc1ccc(CN)c(NC(C)C)c1 51580101 343289960 /nfs/dbraw/zinc/28/99/60/343289960.db2.gz AAKWCZAFFDADJG-UHFFFAOYSA-N 0 3 178.279 2.274 10 0 AEAEHN Cc1ccc(CN)c(N(C)C2CC2)c1 51578760 343290103 /nfs/dbraw/zinc/29/01/03/343290103.db2.gz DTNGNOQZKYGQEB-UHFFFAOYSA-N 0 3 190.290 2.052 10 0 AEAEHN Cc1ccc(CN)c(N(C)C(C)C)c1 51578580 343290155 /nfs/dbraw/zinc/29/01/55/343290155.db2.gz LVLFANZGBCFVQM-UHFFFAOYSA-N 0 3 192.306 2.298 10 0 AEAEHN Cc1ccc(CN)c(NC2CC2)c1 51580103 343290243 /nfs/dbraw/zinc/29/02/43/343290243.db2.gz ZCIZSVLCBBBRKQ-UHFFFAOYSA-N 0 3 176.263 2.028 10 0 AEAEHN CC[C@H](C)c1nc(CN)cs1 51690622 343291719 /nfs/dbraw/zinc/29/17/19/343291719.db2.gz MCQQEFANTNFLMU-LURJTMIESA-N 0 3 170.281 2.115 10 0 AEAEHN CC[C@@H](C)c1ncc(CN)s1 51690554 343291724 /nfs/dbraw/zinc/29/17/24/343291724.db2.gz RBVZZXUXVWPKPT-ZCFIWIBFSA-N 0 3 170.281 2.115 10 0 AEAEHN CC[C@H](C)c1ncc(CN)s1 51690555 343291976 /nfs/dbraw/zinc/29/19/76/343291976.db2.gz RBVZZXUXVWPKPT-LURJTMIESA-N 0 3 170.281 2.115 10 0 AEAEHN CCc1ccc([C@@H](N)CC)o1 51726764 343292202 /nfs/dbraw/zinc/29/22/02/343292202.db2.gz PBAINEMECSNFLR-QMMMGPOBSA-N 0 3 153.225 2.252 10 0 AEAEHN CCc1ccc([C@H](N)CC)o1 51726763 343292229 /nfs/dbraw/zinc/29/22/29/343292229.db2.gz PBAINEMECSNFLR-MRVPVSSYSA-N 0 3 153.225 2.252 10 0 AEAEHN CCc1ccc([C@@H](N)C2CC2)o1 51726817 343292232 /nfs/dbraw/zinc/29/22/32/343292232.db2.gz LALNDQCLNRBHEV-JTQLQIEISA-N 0 3 165.236 2.252 10 0 AEAEHN CCc1ccc([C@H](N)C2CC2)o1 51726815 343292295 /nfs/dbraw/zinc/29/22/95/343292295.db2.gz LALNDQCLNRBHEV-SNVBAGLBSA-N 0 3 165.236 2.252 10 0 AEAEHN CCC(=O)CN1CC[C@H](C)C[C@@H]1C 51733725 343292460 /nfs/dbraw/zinc/29/24/60/343292460.db2.gz IQVWPYAIPKAFSK-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)CN1CC[C@@H](C)C[C@@H]1C 51733727 343292665 /nfs/dbraw/zinc/29/26/65/343292665.db2.gz IQVWPYAIPKAFSK-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CCc1ccc([C@H](C)NC)o1 51727222 343292832 /nfs/dbraw/zinc/29/28/32/343292832.db2.gz GAQVPLKTRIBFSH-ZETCQYMHSA-N 0 3 153.225 2.122 10 0 AEAEHN CCc1ccc([C@@H](C)NC)o1 51727220 343292856 /nfs/dbraw/zinc/29/28/56/343292856.db2.gz GAQVPLKTRIBFSH-SSDOTTSWSA-N 0 3 153.225 2.122 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@H](C)C[C@H]1C 51733828 343292874 /nfs/dbraw/zinc/29/28/74/343292874.db2.gz GZGPKWXYLMGWHP-AEJSXWLSSA-N 0 3 183.295 2.084 10 0 AEAEHN Cc1cc(F)cc2c1CCN[C@H]2C 52095360 343300310 /nfs/dbraw/zinc/30/03/10/343300310.db2.gz KDWWACQTXJLLJT-QMMMGPOBSA-N 0 3 179.238 2.341 10 0 AEAEHN C[C@H]1NCCc2c(F)ccc(F)c21 52095399 343300240 /nfs/dbraw/zinc/30/02/40/343300240.db2.gz XNJONSPBVGLAIL-ZCFIWIBFSA-N 0 3 183.201 2.172 10 0 AEAEHN CC[C@@H]1Cc2c(F)cc(F)cc2CN1 52095345 343300252 /nfs/dbraw/zinc/30/02/52/343300252.db2.gz ONCQQTQRNLEXFZ-SECBINFHSA-N 0 3 197.228 2.389 10 0 AEAEHN Cc1cc(F)cc2c1C[C@@H](C)NC2 52095222 343300299 /nfs/dbraw/zinc/30/02/99/343300299.db2.gz JJTITQIBWPNVEX-MRVPVSSYSA-N 0 3 179.238 2.168 10 0 AEAEHN C[C@H]1Cc2c(Cl)cccc2CN1 52095244 343300305 /nfs/dbraw/zinc/30/03/05/343300305.db2.gz SBJAUEVCQOXWSJ-ZETCQYMHSA-N 0 3 181.666 2.374 10 0 AEAEHN C[C@H]1Cc2ccc(Cl)cc2CN1 52095242 343300391 /nfs/dbraw/zinc/30/03/91/343300391.db2.gz LCWVNLWOBIYQTJ-ZETCQYMHSA-N 0 3 181.666 2.374 10 0 AEAEHN CC[C@H]1Cc2c(F)cc(F)cc2CN1 52095346 343300406 /nfs/dbraw/zinc/30/04/06/343300406.db2.gz ONCQQTQRNLEXFZ-VIFPVBQESA-N 0 3 197.228 2.389 10 0 AEAEHN Cc1cc(F)cc2c1C[C@H](C)NC2 52095221 343300410 /nfs/dbraw/zinc/30/04/10/343300410.db2.gz JJTITQIBWPNVEX-QMMMGPOBSA-N 0 3 179.238 2.168 10 0 AEAEHN Cc1cc(F)cc2c1CCN[C@@H]2C 52095359 343300463 /nfs/dbraw/zinc/30/04/63/343300463.db2.gz KDWWACQTXJLLJT-MRVPVSSYSA-N 0 3 179.238 2.341 10 0 AEAEHN CC[C@@H]1CSC(NC2CCC2)=N1 52212139 343302219 /nfs/dbraw/zinc/30/22/19/343302219.db2.gz NWNUASPMNYUJLA-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@H]1CSC(NC2CCC2)=N1 52212142 343302291 /nfs/dbraw/zinc/30/22/91/343302291.db2.gz NWNUASPMNYUJLA-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@H]1C[C@H]1NCc1ccsc1 52269996 343302908 /nfs/dbraw/zinc/30/29/08/343302908.db2.gz ADFGSFXBYNMMDK-IONNQARKSA-N 0 3 167.277 2.246 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1ccc(F)cc1F 52269400 343302939 /nfs/dbraw/zinc/30/29/39/343302939.db2.gz QFEVWKDOLNLQBG-CPCISQLKSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1ccsc1 52269992 343302988 /nfs/dbraw/zinc/30/29/88/343302988.db2.gz ADFGSFXBYNMMDK-CBAPKCEASA-N 0 3 167.277 2.246 10 0 AEAEHN Cc1ccc(CN[C@@H]2C[C@H]2C)o1 52269948 343303017 /nfs/dbraw/zinc/30/30/17/343303017.db2.gz VEOXREPJPMXEJW-GMSGAONNSA-N 0 3 165.236 2.086 10 0 AEAEHN C[C@H]1C[C@H]1NCc1ccc(F)c(F)c1 52269616 343303114 /nfs/dbraw/zinc/30/31/14/343303114.db2.gz IERURYMRLSCFGM-WRWORJQWSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@H]1C[C@H]1NCc1ccc(F)cc1F 52269405 343303120 /nfs/dbraw/zinc/30/31/20/343303120.db2.gz QFEVWKDOLNLQBG-WRWORJQWSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccccn1 52270222 343303325 /nfs/dbraw/zinc/30/33/25/343303325.db2.gz MGERZIMRTVOYLR-YWVKMMECSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccccn1 52270225 343303435 /nfs/dbraw/zinc/30/34/35/343303435.db2.gz MGERZIMRTVOYLR-QXEWZRGKSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccccn1 52270231 343303455 /nfs/dbraw/zinc/30/34/55/343303455.db2.gz MGERZIMRTVOYLR-ATZCPNFKSA-N 0 3 176.263 2.141 10 0 AEAEHN C[C@H]1C[C@H]1NCc1cc(F)ccc1F 52272901 343303490 /nfs/dbraw/zinc/30/34/90/343303490.db2.gz QAMUBEITQXGJSJ-WRWORJQWSA-N 0 3 197.228 2.463 10 0 AEAEHN CCCNC1=NC2(CCCC2)CS1 53044861 343312331 /nfs/dbraw/zinc/31/23/31/343312331.db2.gz XMHZBFLKYQWTCG-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN CNC1=N[C@]2(CCC[C@@H](C)C2)CS1 53098646 343312336 /nfs/dbraw/zinc/31/23/36/343312336.db2.gz QKPGYTNVNJQZBW-SCZZXKLOSA-N 0 3 198.335 2.258 10 0 AEAEHN CCC1(CC)CSC(NC2CC2)=N1 53044928 343312349 /nfs/dbraw/zinc/31/23/49/343312349.db2.gz JHNXLOQBSMCATI-UHFFFAOYSA-N 0 3 198.335 2.400 10 0 AEAEHN CC(C)NC1=NC2(CCCC2)CS1 53044889 343312453 /nfs/dbraw/zinc/31/24/53/343312453.db2.gz HLPNPMZQYQJLRY-UHFFFAOYSA-N 0 3 198.335 2.400 10 0 AEAEHN CNC1=NC2(CCCCC2)CS1 53097520 343312504 /nfs/dbraw/zinc/31/25/04/343312504.db2.gz YFLPVDGKUGVYBG-UHFFFAOYSA-N 0 3 184.308 2.012 10 0 AEAEHN C1CCC2(C1)CSC(NC1CC1)=N2 53044930 343312558 /nfs/dbraw/zinc/31/25/58/343312558.db2.gz YRZDHMSVIXHMCD-UHFFFAOYSA-N 0 3 196.319 2.154 10 0 AEAEHN CNC1=N[C@]2(CCC[C@H](C)C2)CS1 53098648 343312647 /nfs/dbraw/zinc/31/26/47/343312647.db2.gz QKPGYTNVNJQZBW-WPRPVWTQSA-N 0 3 198.335 2.258 10 0 AEAEHN CCCCSc1cc(N)nc(N)c1 53277179 343313622 /nfs/dbraw/zinc/31/36/22/343313622.db2.gz ZWFGEMIQVRPUAW-UHFFFAOYSA-N 0 3 197.307 2.138 10 0 AEAEHN CC[C@H](C)c1nc2c(s1)CNCC2 53335761 343314498 /nfs/dbraw/zinc/31/44/98/343314498.db2.gz WILXMRABXXUHPV-ZETCQYMHSA-N 0 3 196.319 2.302 10 0 AEAEHN CCSCCNCc1ccco1 53616322 343314655 /nfs/dbraw/zinc/31/46/55/343314655.db2.gz NRUJVUWLUVAJFN-UHFFFAOYSA-N 0 3 185.292 2.122 10 0 AEAEHN CCSCCNCc1ccoc1 53616392 343314870 /nfs/dbraw/zinc/31/48/70/343314870.db2.gz CUIVURLZKPKYED-UHFFFAOYSA-N 0 3 185.292 2.122 10 0 AEAEHN C[C@@H]1CCC(=O)[C@H](CN(C)C2CC2)C1 53926336 343316917 /nfs/dbraw/zinc/31/69/17/343316917.db2.gz PZVKGKRHOPUNOC-ZJUUUORDSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1CCC(=O)[C@H](CN(C)C2CC2)C1 53926338 343316982 /nfs/dbraw/zinc/31/69/82/343316982.db2.gz PZVKGKRHOPUNOC-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN CN(C[C@@H]1CCCCCC1=O)C1CC1 53926371 343316987 /nfs/dbraw/zinc/31/69/87/343316987.db2.gz XMNSWHSSMWAWJK-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H]1CCC(=O)[C@@H](CN(C)C2CC2)C1 53926340 343317000 /nfs/dbraw/zinc/31/70/00/343317000.db2.gz PZVKGKRHOPUNOC-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN CN(C[C@H]1CCCCCC1=O)C1CC1 53926373 343317079 /nfs/dbraw/zinc/31/70/79/343317079.db2.gz XMNSWHSSMWAWJK-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H]1CCC(=O)[C@@H](CN(C)C2CC2)C1 53926342 343317210 /nfs/dbraw/zinc/31/72/10/343317210.db2.gz PZVKGKRHOPUNOC-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN Cc1ccccc1C(=O)CCN(C)C 54013496 343317591 /nfs/dbraw/zinc/31/75/91/343317591.db2.gz SOINVAGPFSILFG-UHFFFAOYSA-N 0 3 191.274 2.129 10 0 AEAEHN C[C@H](NCc1cc[nH]n1)C1CCCC1 54081086 343317618 /nfs/dbraw/zinc/31/76/18/343317618.db2.gz SDTSWJLTHYEHQQ-VIFPVBQESA-N 0 3 193.294 2.078 10 0 AEAEHN CCc1cnc([C@H]2CCCN2)s1 54159035 343318907 /nfs/dbraw/zinc/31/89/07/343318907.db2.gz NURXSIMMCUJFMP-MRVPVSSYSA-N 0 3 182.292 2.130 10 0 AEAEHN C[C@H](N)c1cnc(-c2ccco2)s1 54160520 343318976 /nfs/dbraw/zinc/31/89/76/343318976.db2.gz RJFHEGLCXFNIGR-LURJTMIESA-N 0 3 194.259 2.423 10 0 AEAEHN CCc1cnc([C@H](N)CC)s1 54159008 343318990 /nfs/dbraw/zinc/31/89/90/343318990.db2.gz DHDDFVORZMDEJG-SSDOTTSWSA-N 0 3 170.281 2.115 10 0 AEAEHN CCc1cnc([C@@H](N)C2CC2)s1 54159015 343318994 /nfs/dbraw/zinc/31/89/94/343318994.db2.gz NMLSMNGWTYYQOU-QMMMGPOBSA-N 0 3 182.292 2.115 10 0 AEAEHN CC(C)Cc1ncc([C@H](C)N)s1 54159283 343319031 /nfs/dbraw/zinc/31/90/31/343319031.db2.gz PYXGPQQJIVQOSA-ZETCQYMHSA-N 0 3 184.308 2.361 10 0 AEAEHN CCc1cnc([C@@H](N)CC)s1 54159009 343319112 /nfs/dbraw/zinc/31/91/12/343319112.db2.gz DHDDFVORZMDEJG-ZETCQYMHSA-N 0 3 170.281 2.115 10 0 AEAEHN CC(C)Cc1ncc([C@@H](C)N)s1 54159282 343319121 /nfs/dbraw/zinc/31/91/21/343319121.db2.gz PYXGPQQJIVQOSA-SSDOTTSWSA-N 0 3 184.308 2.361 10 0 AEAEHN CCc1cnc(C2(N)CCCC2)s1 54159020 343319135 /nfs/dbraw/zinc/31/91/35/343319135.db2.gz YDDXRZUSXINGOZ-UHFFFAOYSA-N 0 3 196.319 2.434 10 0 AEAEHN CCc1cnc([C@](C)(N)CC)s1 54159017 343319152 /nfs/dbraw/zinc/31/91/52/343319152.db2.gz FPALFXLGYIJXDE-SECBINFHSA-N 0 3 184.308 2.289 10 0 AEAEHN Cc1cc(Cl)c2c(c1)[C@H](N)[C@H](C)O2 54349048 343321940 /nfs/dbraw/zinc/32/19/40/343321940.db2.gz JAJYDHXQYPROAQ-IMTBSYHQSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1cc(Cl)c2c(c1)[C@@H](N)[C@H](C)O2 54349042 343322015 /nfs/dbraw/zinc/32/20/15/343322015.db2.gz JAJYDHXQYPROAQ-RCOVLWMOSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1nc(-c2ccco2)sc1CN 54456640 343324231 /nfs/dbraw/zinc/32/42/31/343324231.db2.gz DEZHFDLEAGSNCV-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CC[C@H](C)CNC1=N[C@H](C)CS1 54489023 343324464 /nfs/dbraw/zinc/32/44/64/343324464.db2.gz IONNGHFMQFUBQW-JGVFFNPUSA-N 0 3 186.324 2.113 10 0 AEAEHN CC[C@@H](C)[C@H](O)[C@H](N)c1ccccc1 54682249 343327301 /nfs/dbraw/zinc/32/73/01/343327301.db2.gz YSIZKVISIVEPRV-JLLWLGSASA-N 0 3 193.290 2.093 10 0 AEAEHN CC[C@H](C)[C@H](O)[C@H](N)c1ccccc1 54682252 343327447 /nfs/dbraw/zinc/32/74/47/343327447.db2.gz YSIZKVISIVEPRV-WCQGTBRESA-N 0 3 193.290 2.093 10 0 AEAEHN Cc1nc(C(C)(C)C)ncc1[C@@H](C)N 54962542 343332569 /nfs/dbraw/zinc/33/25/69/343332569.db2.gz DUIWTDMYNQUAMG-SSDOTTSWSA-N 0 3 193.294 2.102 10 0 AEAEHN Cc1nc(CC(C)C)ncc1[C@H](C)N 54962609 343332649 /nfs/dbraw/zinc/33/26/49/343332649.db2.gz GXFLABSTIKMFKX-QMMMGPOBSA-N 0 3 193.294 2.003 10 0 AEAEHN Cc1nc(C(C)(C)C)ncc1[C@H](C)N 54962543 343332682 /nfs/dbraw/zinc/33/26/82/343332682.db2.gz DUIWTDMYNQUAMG-ZETCQYMHSA-N 0 3 193.294 2.102 10 0 AEAEHN C[C@H]1CNCc2cc(F)ccc21 58518041 343339847 /nfs/dbraw/zinc/33/98/47/343339847.db2.gz XBXBNWTZYVMTQD-ZETCQYMHSA-N 0 3 165.211 2.032 10 0 AEAEHN CC[C@H]1CNCc2cc(F)ccc21 58519346 343340388 /nfs/dbraw/zinc/34/03/88/343340388.db2.gz GXNILAHDQKTVEQ-QMMMGPOBSA-N 0 3 179.238 2.423 10 0 AEAEHN Cc1cc(NCCN(C)C)ccc1F 61096815 343355047 /nfs/dbraw/zinc/35/50/47/343355047.db2.gz CRVFPPGXFWFKLE-UHFFFAOYSA-N 0 3 196.269 2.108 10 0 AEAEHN CNC(C)(C)c1nc2ccccc2o1 61151538 343355724 /nfs/dbraw/zinc/35/57/24/343355724.db2.gz WSTMIXCMESSYCJ-UHFFFAOYSA-N 0 3 190.246 2.282 10 0 AEAEHN CCc1csc(C2(N)CCC2)n1 61712812 343362928 /nfs/dbraw/zinc/36/29/28/343362928.db2.gz GXEQCVNKIAZOTM-UHFFFAOYSA-N 0 3 182.292 2.043 10 0 AEAEHN CCc1cnc(C2(N)CCC2)s1 61712811 343363048 /nfs/dbraw/zinc/36/30/48/343363048.db2.gz QUUPQIAGYROXHZ-UHFFFAOYSA-N 0 3 182.292 2.043 10 0 AEAEHN CC(=O)[C@@H](C)N1CCC(C)(C)CC1 61820749 343364483 /nfs/dbraw/zinc/36/44/83/343364483.db2.gz DFTIIKDQCZCONB-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N1CCC(C)(C)CC1 61820748 343364516 /nfs/dbraw/zinc/36/45/16/343364516.db2.gz DFTIIKDQCZCONB-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)(C)C[C@@H]1NCCS1 61839121 343364861 /nfs/dbraw/zinc/36/48/61/343364861.db2.gz AMZXHKXNLIEDGN-SSDOTTSWSA-N 0 3 159.298 2.085 10 0 AEAEHN CC(C)(C)C[C@H]1NCCS1 61839122 343364873 /nfs/dbraw/zinc/36/48/73/343364873.db2.gz AMZXHKXNLIEDGN-ZETCQYMHSA-N 0 3 159.298 2.085 10 0 AEAEHN CC1(C)C[C@@H]1NCc1ccoc1 62103789 343371017 /nfs/dbraw/zinc/37/10/17/343371017.db2.gz WVNFRMHIIFONPN-VIFPVBQESA-N 0 3 165.236 2.168 10 0 AEAEHN CC1(C)C[C@H]1NCc1ccoc1 62103790 343371191 /nfs/dbraw/zinc/37/11/91/343371191.db2.gz WVNFRMHIIFONPN-SECBINFHSA-N 0 3 165.236 2.168 10 0 AEAEHN CCc1ccc2[nH]c([C@H](C)N)nc2c1 62152787 343372322 /nfs/dbraw/zinc/37/23/22/343372322.db2.gz SIPYMDYEOWASJD-ZETCQYMHSA-N 0 3 189.262 2.145 10 0 AEAEHN CCc1ccc2nc([C@H](C)N)[nH]c2c1 62152787 343372324 /nfs/dbraw/zinc/37/23/24/343372324.db2.gz SIPYMDYEOWASJD-ZETCQYMHSA-N 0 3 189.262 2.145 10 0 AEAEHN CCc1ccc2[nH]c([C@@H](C)N)nc2c1 62152786 343372469 /nfs/dbraw/zinc/37/24/69/343372469.db2.gz SIPYMDYEOWASJD-SSDOTTSWSA-N 0 3 189.262 2.145 10 0 AEAEHN CCc1ccc2nc([C@@H](C)N)[nH]c2c1 62152786 343372471 /nfs/dbraw/zinc/37/24/71/343372471.db2.gz SIPYMDYEOWASJD-SSDOTTSWSA-N 0 3 189.262 2.145 10 0 AEAEHN Cc1ccc([C@H](N)[C@H]2CCCOC2)o1 62234585 343372767 /nfs/dbraw/zinc/37/27/67/343372767.db2.gz FPNZALHYGADZSO-GXSJLCMTSA-N 0 3 195.262 2.014 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H]2CCCOC2)o1 62234581 343372905 /nfs/dbraw/zinc/37/29/05/343372905.db2.gz FPNZALHYGADZSO-MWLCHTKSSA-N 0 3 195.262 2.014 10 0 AEAEHN Cc1cccc2ccc(CN)nc12 62566675 343375527 /nfs/dbraw/zinc/37/55/27/343375527.db2.gz HHPACMCBFYMTGQ-UHFFFAOYSA-N 0 3 172.231 2.002 10 0 AEAEHN Cc1ccc(C)n1-c1ccncc1N 62726080 343379033 /nfs/dbraw/zinc/37/90/33/343379033.db2.gz LVUNEGHHUAWUED-UHFFFAOYSA-N 0 3 187.246 2.071 10 0 AEAEHN CC1CCC(c2nc(CN)c[nH]2)CC1 62820762 343382249 /nfs/dbraw/zinc/38/22/49/343382249.db2.gz OKFKYLPOVPRLNE-UHFFFAOYSA-N 0 3 193.294 2.162 10 0 AEAEHN CNCc1c[nH]c(C2CCCCC2)n1 62820914 343382642 /nfs/dbraw/zinc/38/26/42/343382642.db2.gz QMNTZRIVXGUEQE-UHFFFAOYSA-N 0 3 193.294 2.177 10 0 AEAEHN CNCc1cnc(C2CCCCC2)[nH]1 62820914 343382644 /nfs/dbraw/zinc/38/26/44/343382644.db2.gz QMNTZRIVXGUEQE-UHFFFAOYSA-N 0 3 193.294 2.177 10 0 AEAEHN CCC1(C)CCN([C@@H](C)C(C)=O)CC1 62954920 343388095 /nfs/dbraw/zinc/38/80/95/343388095.db2.gz WFGSCWUPPCUMNR-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN CCC1(C)CCN([C@H](C)C(C)=O)CC1 62954921 343388159 /nfs/dbraw/zinc/38/81/59/343388159.db2.gz WFGSCWUPPCUMNR-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC1(C)CCN(CC(C)=O)CC1 62954939 343388299 /nfs/dbraw/zinc/38/82/99/343388299.db2.gz HPIIZNNMVLUXBU-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CC(=N)Nc1ccc(F)cc1F 62987043 343389742 /nfs/dbraw/zinc/38/97/42/343389742.db2.gz MPPUZXPCVXUBMR-UHFFFAOYSA-N 0 3 170.162 2.374 10 0 AEAEHN COc1ccc(OC)c(NC(C)=N)c1 62986974 343389876 /nfs/dbraw/zinc/38/98/76/343389876.db2.gz YMKASZHAVJIETM-UHFFFAOYSA-N 0 3 194.234 2.113 10 0 AEAEHN COc1ccccc1NC(C)=N 62986932 343390037 /nfs/dbraw/zinc/39/00/37/343390037.db2.gz XYFBTVNVYBXXFR-UHFFFAOYSA-N 0 3 164.208 2.104 10 0 AEAEHN COc1ccc(C)cc1NC(C)=N 62987018 343390045 /nfs/dbraw/zinc/39/00/45/343390045.db2.gz MQUJBCJIZWGKMM-UHFFFAOYSA-N 0 3 178.235 2.413 10 0 AEAEHN CC(=N)N(C)c1ccccc1F 62987437 343390787 /nfs/dbraw/zinc/39/07/87/343390787.db2.gz SXAWRMBEHMRLSR-UHFFFAOYSA-N 0 3 166.199 2.259 10 0 AEAEHN COc1cc(F)ccc1NC(C)=N 62987456 343390820 /nfs/dbraw/zinc/39/08/20/343390820.db2.gz ACDSIFIMKYUHHX-UHFFFAOYSA-N 0 3 182.198 2.243 10 0 AEAEHN CCC(=N)Nc1ccccc1OC 62988379 343391927 /nfs/dbraw/zinc/39/19/27/343391927.db2.gz MHIMPUQQOBUBKD-UHFFFAOYSA-N 0 3 178.235 2.494 10 0 AEAEHN CCCNC(=N)c1cccs1 62994644 343395617 /nfs/dbraw/zinc/39/56/17/343395617.db2.gz CLKOOWFPUDMTSB-UHFFFAOYSA-N 0 3 168.265 2.073 10 0 AEAEHN Cc1cccnc1C(=N)NC(C)(C)C 62994942 343395725 /nfs/dbraw/zinc/39/57/25/343395725.db2.gz MBUYAKAWGZVYKQ-UHFFFAOYSA-N 0 3 191.278 2.103 10 0 AEAEHN CC(C)CNC(=N)c1cccs1 62994979 343395744 /nfs/dbraw/zinc/39/57/44/343395744.db2.gz SAEYPRTYCIBKQO-UHFFFAOYSA-N 0 3 182.292 2.319 10 0 AEAEHN CC(C)NC(=N)c1cccs1 62994721 343395831 /nfs/dbraw/zinc/39/58/31/343395831.db2.gz HYEPMTYLULFOOY-UHFFFAOYSA-N 0 3 168.265 2.071 10 0 AEAEHN CC(C)(C)NC(=N)c1cccs1 62994880 343395873 /nfs/dbraw/zinc/39/58/73/343395873.db2.gz FCFNJOFGUWKGPV-UHFFFAOYSA-N 0 3 182.292 2.462 10 0 AEAEHN N=C(c1cccs1)N1CCCC1 62995370 343396166 /nfs/dbraw/zinc/39/61/66/343396166.db2.gz MPUOEUYIGZSUFF-UHFFFAOYSA-N 0 3 180.276 2.169 10 0 AEAEHN CN=C1N[C@H](c2ccccc2)CS1 63001131 343396811 /nfs/dbraw/zinc/39/68/11/343396811.db2.gz KRRBWHJBQPPLDU-VIFPVBQESA-N 0 3 192.287 2.050 10 0 AEAEHN C[C@H](N)c1cnc(-c2ccoc2)s1 63046826 343397845 /nfs/dbraw/zinc/39/78/45/343397845.db2.gz NZSVKTAGLWGBPE-LURJTMIESA-N 0 3 194.259 2.423 10 0 AEAEHN C[C@@H](N)c1cnc(-c2ccoc2)s1 63046827 343397875 /nfs/dbraw/zinc/39/78/75/343397875.db2.gz NZSVKTAGLWGBPE-ZCFIWIBFSA-N 0 3 194.259 2.423 10 0 AEAEHN CC(C)(C)C(=O)CN1CCCC1(C)C 63071777 343400668 /nfs/dbraw/zinc/40/06/68/343400668.db2.gz FESNIHKFTNHPCF-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@H](N)c1ccc2ccccc2n1 63075929 343400936 /nfs/dbraw/zinc/40/09/36/343400936.db2.gz OSJLYUIRCUMENX-QMMMGPOBSA-N 0 3 172.231 2.255 10 0 AEAEHN FC(F)(F)CCNc1ccncc1 63100671 343402438 /nfs/dbraw/zinc/40/24/38/343402438.db2.gz JUIXCWCBDSSKBV-UHFFFAOYSA-N 0 3 190.168 2.446 10 0 AEAEHN Cn1ccnc1NCc1ccsc1 63153122 343403610 /nfs/dbraw/zinc/40/36/10/343403610.db2.gz NBJJSWKMPZWCJD-UHFFFAOYSA-N 0 3 193.275 2.094 10 0 AEAEHN CCn1c(-c2ccccc2)cnc1N 66103132 343409038 /nfs/dbraw/zinc/40/90/38/343409038.db2.gz LSOFOFLJOXWFDQ-UHFFFAOYSA-N 0 3 187.246 2.152 10 0 AEAEHN Cc1nc(CC(C)(C)C)sc1CN 68849200 343412849 /nfs/dbraw/zinc/41/28/49/343412849.db2.gz MISXTOSLSCMBGV-UHFFFAOYSA-N 0 3 198.335 2.499 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccoc1 68979663 343418719 /nfs/dbraw/zinc/41/87/19/343418719.db2.gz OVFVXYSZXOYHKM-QMMMGPOBSA-N 0 3 153.225 2.326 10 0 AEAEHN O=C(CN1CCCCCCC1)C1CC1 68893900 343413965 /nfs/dbraw/zinc/41/39/65/343413965.db2.gz NOSPMXFNJROWCL-UHFFFAOYSA-N 0 3 195.306 2.232 10 0 AEAEHN C[C@@H]1CCN(CC(=O)C2CC2)[C@H](C)C1 68896883 343414003 /nfs/dbraw/zinc/41/40/03/343414003.db2.gz RCVLQWNIXSAJOI-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1CCCN(CC(=O)C2CC2)CC1 68897529 343414099 /nfs/dbraw/zinc/41/40/99/343414099.db2.gz WDXFYGIKPNVIQI-JTQLQIEISA-N 0 3 195.306 2.088 10 0 AEAEHN N[C@@H](c1nc(C2CC2)cs1)C1CC1 68906145 343414444 /nfs/dbraw/zinc/41/44/44/343414444.db2.gz VVXPPGCHKDEBCL-SECBINFHSA-N 0 3 194.303 2.430 10 0 AEAEHN c1sc([C@@H]2CCCN2)nc1C1CC1 68906426 343414454 /nfs/dbraw/zinc/41/44/54/343414454.db2.gz YNNIUFJTHDXEBK-QMMMGPOBSA-N 0 3 194.303 2.445 10 0 AEAEHN CC[C@H](N)c1nc(C2CC2)cs1 68906091 343414481 /nfs/dbraw/zinc/41/44/81/343414481.db2.gz XZISMYHKVNCKKF-ZETCQYMHSA-N 0 3 182.292 2.430 10 0 AEAEHN CC(C)(N)c1nc(C2CC2)cs1 68906153 343414507 /nfs/dbraw/zinc/41/45/07/343414507.db2.gz KEYUVCAQMDOXHC-UHFFFAOYSA-N 0 3 182.292 2.214 10 0 AEAEHN NC1(c2nc(C3CC3)cs2)CCC1 68906614 343414581 /nfs/dbraw/zinc/41/45/81/343414581.db2.gz DBDUIOIHWQGWFH-UHFFFAOYSA-N 0 3 194.303 2.358 10 0 AEAEHN c1sc([C@H]2CCCN2)nc1C1CC1 68906431 343414614 /nfs/dbraw/zinc/41/46/14/343414614.db2.gz YNNIUFJTHDXEBK-MRVPVSSYSA-N 0 3 194.303 2.445 10 0 AEAEHN CC[C@@H](N)c1nc(C2CC2)cs1 68906096 343414637 /nfs/dbraw/zinc/41/46/37/343414637.db2.gz XZISMYHKVNCKKF-SSDOTTSWSA-N 0 3 182.292 2.430 10 0 AEAEHN N[C@H](c1nc(C2CC2)cs1)C1CC1 68906146 343414682 /nfs/dbraw/zinc/41/46/82/343414682.db2.gz VVXPPGCHKDEBCL-VIFPVBQESA-N 0 3 194.303 2.430 10 0 AEAEHN N[C@H](CC(F)(F)F)c1ccoc1 68979846 343418676 /nfs/dbraw/zinc/41/86/76/343418676.db2.gz XUWUAIPKSHLFCD-ZCFIWIBFSA-N 0 3 179.141 2.232 10 0 AEAEHN N[C@@H](CC(F)(F)F)c1ccoc1 68979848 343418902 /nfs/dbraw/zinc/41/89/02/343418902.db2.gz XUWUAIPKSHLFCD-LURJTMIESA-N 0 3 179.141 2.232 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccoc1 68979661 343419000 /nfs/dbraw/zinc/41/90/00/343419000.db2.gz OVFVXYSZXOYHKM-MRVPVSSYSA-N 0 3 153.225 2.326 10 0 AEAEHN Cn1nccc1[C@@H](N)C1CCCCC1 69020609 343421600 /nfs/dbraw/zinc/42/16/00/343421600.db2.gz AWUNCNPAHAHABB-NSHDSACASA-N 0 3 193.294 2.000 10 0 AEAEHN Cn1nccc1[C@H](N)C1CCCCC1 69020606 343421740 /nfs/dbraw/zinc/42/17/40/343421740.db2.gz AWUNCNPAHAHABB-LLVKDONJSA-N 0 3 193.294 2.000 10 0 AEAEHN CCn1nccc1[C@@H](N)C1CCCC1 69025806 343422438 /nfs/dbraw/zinc/42/24/38/343422438.db2.gz LVEGSZGEWGGKJW-NSHDSACASA-N 0 3 193.294 2.093 10 0 AEAEHN CCn1nccc1[C@H](N)C1CCCC1 69025802 343422528 /nfs/dbraw/zinc/42/25/28/343422528.db2.gz LVEGSZGEWGGKJW-LLVKDONJSA-N 0 3 193.294 2.093 10 0 AEAEHN CCn1ccnc1[C@H](N)C1CCCC1 69048237 343423372 /nfs/dbraw/zinc/42/33/72/343423372.db2.gz HNUWMXLRBPKINY-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CCn1ccnc1[C@@H](N)C1CCCC1 69048240 343423504 /nfs/dbraw/zinc/42/35/04/343423504.db2.gz HNUWMXLRBPKINY-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CCCn1ccnc1[C@H]1CCCCN1 69631285 343428404 /nfs/dbraw/zinc/42/84/04/343428404.db2.gz OSLIPKDSDUHHCD-SNVBAGLBSA-N 0 3 193.294 2.108 10 0 AEAEHN CC(C)C[C@H](N)c1ccoc1 69630741 343428606 /nfs/dbraw/zinc/42/86/06/343428606.db2.gz HWUFXTJFNPNMGW-VIFPVBQESA-N 0 3 153.225 2.326 10 0 AEAEHN CCCn1ccnc1[C@@H]1CCCCN1 69631283 343428677 /nfs/dbraw/zinc/42/86/77/343428677.db2.gz OSLIPKDSDUHHCD-JTQLQIEISA-N 0 3 193.294 2.108 10 0 AEAEHN CC(C)C[C@@H](N)c1ccoc1 69630744 343428686 /nfs/dbraw/zinc/42/86/86/343428686.db2.gz HWUFXTJFNPNMGW-SECBINFHSA-N 0 3 153.225 2.326 10 0 AEAEHN N[C@H](c1ccoc1)c1cccc(F)c1 69630709 343428781 /nfs/dbraw/zinc/42/87/81/343428781.db2.gz XFOWVPBRWPCBBV-NSHDSACASA-N 0 3 191.205 2.467 10 0 AEAEHN Cc1ccsc1[C@H]1CN[C@@H](C)CO1 69636509 343429523 /nfs/dbraw/zinc/42/95/23/343429523.db2.gz VFDVUXMMKCYGKS-DTWKUNHWSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccsc1[C@@H]1CN[C@@H](C)CO1 69636506 343429597 /nfs/dbraw/zinc/42/95/97/343429597.db2.gz VFDVUXMMKCYGKS-IUCAKERBSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccsc1[C@@H]1CNC[C@H](C)O1 69636494 343429834 /nfs/dbraw/zinc/42/98/34/343429834.db2.gz KYRKOCFCNUAIDX-IUCAKERBSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccsc1[C@H]1CNC[C@@H](C)O1 69636500 343429904 /nfs/dbraw/zinc/42/99/04/343429904.db2.gz KYRKOCFCNUAIDX-RKDXNWHRSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccsc1[C@@H]1CN[C@H](C)CO1 69636501 343429919 /nfs/dbraw/zinc/42/99/19/343429919.db2.gz VFDVUXMMKCYGKS-BDAKNGLRSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccsc1[C@H]1CNC[C@H](C)O1 69636497 343430024 /nfs/dbraw/zinc/43/00/24/343430024.db2.gz KYRKOCFCNUAIDX-DTWKUNHWSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccsc1[C@H]1CN[C@H](C)CO1 69636503 343430042 /nfs/dbraw/zinc/43/00/42/343430042.db2.gz VFDVUXMMKCYGKS-RKDXNWHRSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1ccsc1[C@@H]1CNC[C@@H](C)O1 69636498 343430076 /nfs/dbraw/zinc/43/00/76/343430076.db2.gz KYRKOCFCNUAIDX-BDAKNGLRSA-N 0 3 197.303 2.106 10 0 AEAEHN N[C@H](CC1CCCC1)c1ccncn1 69639172 343430854 /nfs/dbraw/zinc/43/08/54/343430854.db2.gz BJWTWGCSAHVPFC-SNVBAGLBSA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@@H](CC1CCCC1)c1ccncn1 69639173 343430891 /nfs/dbraw/zinc/43/08/91/343430891.db2.gz BJWTWGCSAHVPFC-JTQLQIEISA-N 0 3 191.278 2.057 10 0 AEAEHN CN[C@H](C)c1cccc(F)c1F 69640793 343431250 /nfs/dbraw/zinc/43/12/50/343431250.db2.gz MQYNJIAMFSNHTL-ZCFIWIBFSA-N 0 3 171.190 2.245 10 0 AEAEHN CN[C@@H](C)c1cccc(F)c1F 69640791 343431312 /nfs/dbraw/zinc/43/13/12/343431312.db2.gz MQYNJIAMFSNHTL-LURJTMIESA-N 0 3 171.190 2.245 10 0 AEAEHN C[C@@H](CC1CC1)N1CCC(=O)[C@H](C)C1 69666404 343431549 /nfs/dbraw/zinc/43/15/49/343431549.db2.gz RUJKYYAQALNGQS-ZJUUUORDSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@@H](C)CC1CC1 69666548 343431728 /nfs/dbraw/zinc/43/17/28/343431728.db2.gz XXZMAYNHRLHLJW-UWVGGRQHSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@H](CC1CC1)Nc1nccn1C 69666903 343431753 /nfs/dbraw/zinc/43/17/53/343431753.db2.gz XIZNHKLCYKWOIG-MRVPVSSYSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@@H](CC1CC1)N1CCC(=O)C[C@H]1C 69666546 343431799 /nfs/dbraw/zinc/43/17/99/343431799.db2.gz XXZMAYNHRLHLJW-VHSXEESVSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H](CC1CC1)Nc1nccn1C 69666899 343431813 /nfs/dbraw/zinc/43/18/13/343431813.db2.gz XIZNHKLCYKWOIG-QMMMGPOBSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@H]1CN([C@@H](C)CC2CC2)CCC1=O 69666406 343431820 /nfs/dbraw/zinc/43/18/20/343431820.db2.gz RUJKYYAQALNGQS-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN N[C@@H](c1c(F)cccc1F)C1CC1 69759009 343438896 /nfs/dbraw/zinc/43/88/96/343438896.db2.gz KTEIQUVUYHGQQT-SNVBAGLBSA-N 0 3 183.201 2.375 10 0 AEAEHN N[C@H](c1c(F)cccc1F)C1CC1 69759010 343439003 /nfs/dbraw/zinc/43/90/03/343439003.db2.gz KTEIQUVUYHGQQT-JTQLQIEISA-N 0 3 183.201 2.375 10 0 AEAEHN CC(C)(C)Oc1cccc(F)c1CN 69760527 343439306 /nfs/dbraw/zinc/43/93/06/343439306.db2.gz VTJHTGZHEZBMET-UHFFFAOYSA-N 0 3 197.253 2.462 10 0 AEAEHN CC(C)C(=N)N(C)c1cccnc1 69764286 343440429 /nfs/dbraw/zinc/44/04/29/343440429.db2.gz SFUHTHVYPLSTLS-UHFFFAOYSA-N 0 3 177.251 2.151 10 0 AEAEHN CCC(=O)CN1CCCC(C)(C)C1 69793587 343442133 /nfs/dbraw/zinc/44/21/33/343442133.db2.gz SKWYXPCNMRINIU-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CC(=O)[C@H](C)N1CCCC(C)(C)C1 69793563 343442139 /nfs/dbraw/zinc/44/21/39/343442139.db2.gz WPSBGCJTGXVKHI-VIFPVBQESA-N 0 3 183.295 2.086 10 0 AEAEHN CC1(C)CCCN(CC(=O)C2CC2)C1 69793608 343442151 /nfs/dbraw/zinc/44/21/51/343442151.db2.gz OIRULRWVLWRFRM-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CC1(C)CCCN([C@@H]2CCCC2=O)C1 69793569 343442431 /nfs/dbraw/zinc/44/24/31/343442431.db2.gz TWUCAEZUDPZSOX-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(=O)[C@@H](C)N1CCCC(C)(C)C1 69793565 343442489 /nfs/dbraw/zinc/44/24/89/343442489.db2.gz WPSBGCJTGXVKHI-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC1(C)CCCN([C@H]2CCCC2=O)C1 69793571 343442582 /nfs/dbraw/zinc/44/25/82/343442582.db2.gz TWUCAEZUDPZSOX-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H](Nc1nccn1C)C1CCCC1 69805320 343443492 /nfs/dbraw/zinc/44/34/92/343443492.db2.gz UNUYUPXCZAGQQT-VIFPVBQESA-N 0 3 193.294 2.411 10 0 AEAEHN C[C@H](NC1=NCCS1)C1CCCC1 69805552 343443503 /nfs/dbraw/zinc/44/35/03/343443503.db2.gz PWQXRMBPYISVIB-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H](C1CCCC1)N1CCC(=O)CC1 69805176 343443673 /nfs/dbraw/zinc/44/36/73/343443673.db2.gz NUPCEKPXCCATOZ-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H](NC1=NCCS1)C1CCCC1 69805554 343443717 /nfs/dbraw/zinc/44/37/17/343443717.db2.gz PWQXRMBPYISVIB-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H](C1CCCC1)N1CCC(=O)CC1 69805175 343443800 /nfs/dbraw/zinc/44/38/00/343443800.db2.gz NUPCEKPXCCATOZ-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H](Nc1nccn1C)C1CCCC1 69805325 343443865 /nfs/dbraw/zinc/44/38/65/343443865.db2.gz UNUYUPXCZAGQQT-SECBINFHSA-N 0 3 193.294 2.411 10 0 AEAEHN Nc1ccncc1-c1cccs1 69841322 343444491 /nfs/dbraw/zinc/44/44/91/343444491.db2.gz ONFQJPVASMRELV-UHFFFAOYSA-N 0 3 176.244 2.392 10 0 AEAEHN c1cc([C@@H]2CCCCCN2)co1 69841964 343445119 /nfs/dbraw/zinc/44/51/19/343445119.db2.gz FCWBYWGXTNNXPW-JTQLQIEISA-N 0 3 165.236 2.484 10 0 AEAEHN c1cc([C@H]2CCCCCN2)co1 69841967 343445181 /nfs/dbraw/zinc/44/51/81/343445181.db2.gz FCWBYWGXTNNXPW-SNVBAGLBSA-N 0 3 165.236 2.484 10 0 AEAEHN CC(C)CC[C@H](N)c1cccnc1N 69845471 343447338 /nfs/dbraw/zinc/44/73/38/343447338.db2.gz GHLMDAXTWPOSMC-JTQLQIEISA-N 0 3 193.294 2.100 10 0 AEAEHN NCc1[nH]c2ccccc2c1Cl 69901177 343454812 /nfs/dbraw/zinc/45/48/12/343454812.db2.gz FCRTUMNJZWUUTM-UHFFFAOYSA-N 0 3 180.638 2.280 10 0 AEAEHN C[C@@H]1CCN[C@H](c2ccoc2)C1 69940620 343456750 /nfs/dbraw/zinc/45/67/50/343456750.db2.gz XLZWBNWOMMOPDV-SCZZXKLOSA-N 0 3 165.236 2.340 10 0 AEAEHN C[C@@H]1CCN[C@@H](c2ccoc2)C1 69940622 343456814 /nfs/dbraw/zinc/45/68/14/343456814.db2.gz XLZWBNWOMMOPDV-PSASIEDQSA-N 0 3 165.236 2.340 10 0 AEAEHN C[C@H]1CCN[C@@H](c2ccoc2)C1 69940623 343456861 /nfs/dbraw/zinc/45/68/61/343456861.db2.gz XLZWBNWOMMOPDV-WCBMZHEXSA-N 0 3 165.236 2.340 10 0 AEAEHN C[C@H]1CCN[C@H](c2ccoc2)C1 69940621 343456998 /nfs/dbraw/zinc/45/69/98/343456998.db2.gz XLZWBNWOMMOPDV-WPRPVWTQSA-N 0 3 165.236 2.340 10 0 AEAEHN Cc1ccnc(N)c1[C@H](N)C(C)(C)C 69942221 343458089 /nfs/dbraw/zinc/45/80/89/343458089.db2.gz LMXJSYRYLPZAOX-VIFPVBQESA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1ccnc(N)c1[C@H](N)CC(C)C 69942184 343458205 /nfs/dbraw/zinc/45/82/05/343458205.db2.gz OUTOLJCYQDZWBM-SECBINFHSA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1ccnc(N)c1[C@@H](N)CC(C)C 69942185 343458248 /nfs/dbraw/zinc/45/82/48/343458248.db2.gz OUTOLJCYQDZWBM-VIFPVBQESA-N 0 3 193.294 2.018 10 0 AEAEHN Cc1ccnc(N)c1[C@@H](N)C(C)(C)C 69942222 343458261 /nfs/dbraw/zinc/45/82/61/343458261.db2.gz LMXJSYRYLPZAOX-SECBINFHSA-N 0 3 193.294 2.018 10 0 AEAEHN CCC[C@@H](N)c1cc(Cl)cnc1N 69943525 343458692 /nfs/dbraw/zinc/45/86/92/343458692.db2.gz XDQSSLNMKDZTNG-MRVPVSSYSA-N 0 3 199.685 2.117 10 0 AEAEHN CCC[C@H](N)c1cc(Cl)cnc1N 69943524 343458730 /nfs/dbraw/zinc/45/87/30/343458730.db2.gz XDQSSLNMKDZTNG-QMMMGPOBSA-N 0 3 199.685 2.117 10 0 AEAEHN CC(=O)[C@H](C)N1CCCCC[C@H]1C 69945261 343460071 /nfs/dbraw/zinc/46/00/71/343460071.db2.gz MEQYQBJNUZVZDE-ZJUUUORDSA-N 0 3 183.295 2.228 10 0 AEAEHN CC(=O)[C@H](C)N1CCCCC[C@@H]1C 69945262 343460204 /nfs/dbraw/zinc/46/02/04/343460204.db2.gz MEQYQBJNUZVZDE-UWVGGRQHSA-N 0 3 183.295 2.228 10 0 AEAEHN Cc1ccc([C@@H](N)c2ccoc2)cn1 69946577 343460503 /nfs/dbraw/zinc/46/05/03/343460503.db2.gz WJORGOONXLNSJD-LLVKDONJSA-N 0 3 188.230 2.031 10 0 AEAEHN Cc1ccc([C@H](N)c2ccoc2)cn1 69946574 343460522 /nfs/dbraw/zinc/46/05/22/343460522.db2.gz WJORGOONXLNSJD-NSHDSACASA-N 0 3 188.230 2.031 10 0 AEAEHN Cc1nc(-c2ccoc2)sc1CN 69947098 343460709 /nfs/dbraw/zinc/46/07/09/343460709.db2.gz BCVOPCRVQMPUQN-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN C[C@H](CC1CC1)NCc1cscn1 70100815 343474443 /nfs/dbraw/zinc/47/44/43/343474443.db2.gz AHBPEQUAGOOBNS-MRVPVSSYSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@@H](CC1CC1)NCc1cscn1 70100814 343474620 /nfs/dbraw/zinc/47/46/20/343474620.db2.gz AHBPEQUAGOOBNS-QMMMGPOBSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@H](N)c1nccc2ccccc12 70184772 343477120 /nfs/dbraw/zinc/47/71/20/343477120.db2.gz OQHHJZSNZSTOQC-QMMMGPOBSA-N 0 3 172.231 2.255 10 0 AEAEHN N=C(c1ccoc1)N1CCCCC1 70531707 343489301 /nfs/dbraw/zinc/48/93/01/343489301.db2.gz ZMJDWPBFRDTJPL-UHFFFAOYSA-N 0 3 178.235 2.091 10 0 AEAEHN N[C@@H](c1ccncn1)C1CCCCC1 70543382 343489766 /nfs/dbraw/zinc/48/97/66/343489766.db2.gz JIHSSTFXRBVZMY-LLVKDONJSA-N 0 3 191.278 2.057 10 0 AEAEHN N[C@H](c1ccncn1)C1CCCCC1 70543383 343489779 /nfs/dbraw/zinc/48/97/79/343489779.db2.gz JIHSSTFXRBVZMY-NSHDSACASA-N 0 3 191.278 2.057 10 0 AEAEHN Cc1ccsc1[C@@H]1CSCCN1 70587944 343498117 /nfs/dbraw/zinc/49/81/17/343498117.db2.gz UGOKTZQNYCIQBA-QMMMGPOBSA-N 0 3 199.344 2.434 10 0 AEAEHN Cc1ccsc1[C@H]1CSCCN1 70587945 343498178 /nfs/dbraw/zinc/49/81/78/343498178.db2.gz UGOKTZQNYCIQBA-MRVPVSSYSA-N 0 3 199.344 2.434 10 0 AEAEHN Cc1cccc([C@@H]2CSCCN2)c1 70588070 343498413 /nfs/dbraw/zinc/49/84/13/343498413.db2.gz JBEOYLRZNXYMQP-NSHDSACASA-N 0 3 193.315 2.373 10 0 AEAEHN Fc1cccc([C@H]2CSCCN2)c1 70587993 343498423 /nfs/dbraw/zinc/49/84/23/343498423.db2.gz UTMAWCWQJNMKBR-SNVBAGLBSA-N 0 3 197.278 2.203 10 0 AEAEHN Cc1ccc([C@H]2CSCCN2)s1 70587983 343498442 /nfs/dbraw/zinc/49/84/42/343498442.db2.gz ONXNQKADBMSPPR-MRVPVSSYSA-N 0 3 199.344 2.434 10 0 AEAEHN Fc1cccc([C@@H]2CSCCN2)c1 70587992 343498744 /nfs/dbraw/zinc/49/87/44/343498744.db2.gz UTMAWCWQJNMKBR-JTQLQIEISA-N 0 3 197.278 2.203 10 0 AEAEHN Cc1ccc([C@@H]2CSCCN2)s1 70587982 343498820 /nfs/dbraw/zinc/49/88/20/343498820.db2.gz ONXNQKADBMSPPR-QMMMGPOBSA-N 0 3 199.344 2.434 10 0 AEAEHN Cc1cccc([C@H]2CSCCN2)c1 70588071 343498846 /nfs/dbraw/zinc/49/88/46/343498846.db2.gz JBEOYLRZNXYMQP-LLVKDONJSA-N 0 3 193.315 2.373 10 0 AEAEHN CC(C)c1csc(CN)c1 70601144 343501193 /nfs/dbraw/zinc/50/11/93/343501193.db2.gz AWOJVLRELXIBHQ-UHFFFAOYSA-N 0 3 155.266 2.330 10 0 AEAEHN CC(C)Cc1ccc(CN)s1 70601143 343501050 /nfs/dbraw/zinc/50/10/50/343501050.db2.gz VGBUENFOTQDXOQ-UHFFFAOYSA-N 0 3 169.293 2.405 10 0 AEAEHN CCN(C)Cc1cc(C)ccc1N 70601676 343501125 /nfs/dbraw/zinc/50/11/25/343501125.db2.gz FCVCWJDEHLHNTF-UHFFFAOYSA-N 0 3 178.279 2.029 10 0 AEAEHN NCc1ccc(-c2ccoc2)s1 70601149 343501188 /nfs/dbraw/zinc/50/11/88/343501188.db2.gz DYTMACOCTIOKBN-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN CC(C)c1ccc(CN)s1 70601145 343501353 /nfs/dbraw/zinc/50/13/53/343501353.db2.gz QIYVXFIVFFVCKK-UHFFFAOYSA-N 0 3 155.266 2.330 10 0 AEAEHN NCc1cc(-c2ccccn2)cs1 70601141 343501401 /nfs/dbraw/zinc/50/14/01/343501401.db2.gz CTGBEIPHCMPIMT-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN CN[C@@H](C)c1ccc(O)cc1Cl 70602921 343501564 /nfs/dbraw/zinc/50/15/64/343501564.db2.gz ACAZRORMZORYEM-LURJTMIESA-N 0 3 185.654 2.326 10 0 AEAEHN CN[C@H](C)c1ccc(O)cc1Cl 70602922 343501941 /nfs/dbraw/zinc/50/19/41/343501941.db2.gz ACAZRORMZORYEM-ZCFIWIBFSA-N 0 3 185.654 2.326 10 0 AEAEHN CC[C@@H]1CCCN([C@@H](C)C(C)=O)CC1 70613763 343503004 /nfs/dbraw/zinc/50/30/04/343503004.db2.gz UKPFSNWQKYVJQM-CMPLNLGQSA-N 0 3 197.322 2.476 10 0 AEAEHN Cc1cc(F)cc2c1CN[C@@H](C)C2 70622363 343505518 /nfs/dbraw/zinc/50/55/18/343505518.db2.gz GUGZHNXNXNTDSW-QMMMGPOBSA-N 0 3 179.238 2.168 10 0 AEAEHN C[C@H]1Cc2cccc(Cl)c2CN1 70622381 343505532 /nfs/dbraw/zinc/50/55/32/343505532.db2.gz BXAKUHHOAJULKS-ZETCQYMHSA-N 0 3 181.666 2.374 10 0 AEAEHN Cc1cc(F)cc2c1CN[C@H](C)C2 70622362 343505550 /nfs/dbraw/zinc/50/55/50/343505550.db2.gz GUGZHNXNXNTDSW-MRVPVSSYSA-N 0 3 179.238 2.168 10 0 AEAEHN C[C@@H]1Cc2cccc(Cl)c2CN1 70622380 343505588 /nfs/dbraw/zinc/50/55/88/343505588.db2.gz BXAKUHHOAJULKS-SSDOTTSWSA-N 0 3 181.666 2.374 10 0 AEAEHN C[C@@H]1Cc2cc(Cl)ccc2CN1 70622370 343505664 /nfs/dbraw/zinc/50/56/64/343505664.db2.gz SAWLAIBLKHYBHU-SSDOTTSWSA-N 0 3 181.666 2.374 10 0 AEAEHN C[C@H]1Cc2cc(Cl)ccc2CN1 70622371 343505686 /nfs/dbraw/zinc/50/56/86/343505686.db2.gz SAWLAIBLKHYBHU-ZETCQYMHSA-N 0 3 181.666 2.374 10 0 AEAEHN CCOc1cccc2c1CN[C@H](C)C2 70622344 343505812 /nfs/dbraw/zinc/50/58/12/343505812.db2.gz MQTPSTAPRBFSEZ-SECBINFHSA-N 0 3 191.274 2.120 10 0 AEAEHN CCOc1cccc2c1CN[C@@H](C)C2 70622345 343505865 /nfs/dbraw/zinc/50/58/65/343505865.db2.gz MQTPSTAPRBFSEZ-VIFPVBQESA-N 0 3 191.274 2.120 10 0 AEAEHN C[C@H]1CCC[C@@H](n2ccc(CN)n2)C1 70631020 343510423 /nfs/dbraw/zinc/51/04/23/343510423.db2.gz YPXFMORPWODSPD-GXSJLCMTSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CCC[C@H](n2ccc(CN)n2)C1 70631018 343510484 /nfs/dbraw/zinc/51/04/84/343510484.db2.gz YPXFMORPWODSPD-ONGXEEELSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@@H]1CCC[C@H](n2ccc(CN)n2)C1 70631017 343510541 /nfs/dbraw/zinc/51/05/41/343510541.db2.gz YPXFMORPWODSPD-KOLCDFICSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@@H]1CCC[C@@H](n2ccc(CN)n2)C1 70631019 343510611 /nfs/dbraw/zinc/51/06/11/343510611.db2.gz YPXFMORPWODSPD-MWLCHTKSSA-N 0 3 193.294 2.093 10 0 AEAEHN CN[C@H](c1cccc(C)n1)C1CC1 70635088 343511699 /nfs/dbraw/zinc/51/16/99/343511699.db2.gz GQDCQRYABNVSNW-NSHDSACASA-N 0 3 176.263 2.061 10 0 AEAEHN CN[C@@H](c1cc(C)ccn1)C1CC1 70635112 343511713 /nfs/dbraw/zinc/51/17/13/343511713.db2.gz RCXOTVPXHVKXRM-LLVKDONJSA-N 0 3 176.263 2.061 10 0 AEAEHN CN[C@H](c1cc(C)ccn1)C1CC1 70635113 343511783 /nfs/dbraw/zinc/51/17/83/343511783.db2.gz RCXOTVPXHVKXRM-NSHDSACASA-N 0 3 176.263 2.061 10 0 AEAEHN CN[C@@H](c1cccc(C)n1)C1CC1 70635086 343511858 /nfs/dbraw/zinc/51/18/58/343511858.db2.gz GQDCQRYABNVSNW-LLVKDONJSA-N 0 3 176.263 2.061 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2nccs2)C1 70644999 343515852 /nfs/dbraw/zinc/51/58/52/343515852.db2.gz SSTYOLSLZGMYCH-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1csc([C@@]2(N)CC[C@H](C)C2)n1 70644989 343515936 /nfs/dbraw/zinc/51/59/36/343515936.db2.gz JLHXJPJOQFKADV-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2nccs2)C1 70644998 343516008 /nfs/dbraw/zinc/51/60/08/343516008.db2.gz SSTYOLSLZGMYCH-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CC[C@](N)(c2nccs2)C1 70644997 343516150 /nfs/dbraw/zinc/51/61/50/343516150.db2.gz SSTYOLSLZGMYCH-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1csc([C@]2(N)CC[C@H](C)C2)n1 70644988 343516163 /nfs/dbraw/zinc/51/61/63/343516163.db2.gz JLHXJPJOQFKADV-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1csc([C@]2(N)CC[C@@H](C)C2)n1 70644990 343516166 /nfs/dbraw/zinc/51/61/66/343516166.db2.gz JLHXJPJOQFKADV-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN CN[C@]1(c2nccs2)CC[C@@H](C)C1 70645024 343516302 /nfs/dbraw/zinc/51/63/02/343516302.db2.gz VFDFAVRSVQOZBY-PSASIEDQSA-N 0 3 196.319 2.378 10 0 AEAEHN CN[C@@]1(c2nccs2)CC[C@H](C)C1 70645027 343516309 /nfs/dbraw/zinc/51/63/09/343516309.db2.gz VFDFAVRSVQOZBY-WPRPVWTQSA-N 0 3 196.319 2.378 10 0 AEAEHN CN[C@@]1(c2nccs2)CC[C@@H](C)C1 70645026 343516691 /nfs/dbraw/zinc/51/66/91/343516691.db2.gz VFDFAVRSVQOZBY-SCZZXKLOSA-N 0 3 196.319 2.378 10 0 AEAEHN CN[C@]1(c2nccs2)CC[C@H](C)C1 70645025 343516704 /nfs/dbraw/zinc/51/67/04/343516704.db2.gz VFDFAVRSVQOZBY-WCBMZHEXSA-N 0 3 196.319 2.378 10 0 AEAEHN N[C@@H]1CCCOc2c(F)ccc(F)c21 70819614 343532746 /nfs/dbraw/zinc/53/27/46/343532746.db2.gz LLIXSQAPTBWJFG-MRVPVSSYSA-N 0 3 199.200 2.137 10 0 AEAEHN N[C@H]1CCCOc2c(F)ccc(F)c21 70819617 343532974 /nfs/dbraw/zinc/53/29/74/343532974.db2.gz LLIXSQAPTBWJFG-QMMMGPOBSA-N 0 3 199.200 2.137 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@@H]1CCC[C@H]1C 70832058 343534806 /nfs/dbraw/zinc/53/48/06/343534806.db2.gz YUESDBYIDVQDTR-JFGNBEQYSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@H]1CCC[C@@H]1Nc1nccn1C 70832625 343535203 /nfs/dbraw/zinc/53/52/03/343535203.db2.gz BJEOJMXXQXCPHW-IUCAKERBSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@@H]1CCC[C@@H]1Nc1nccn1C 70832621 343535229 /nfs/dbraw/zinc/53/52/29/343535229.db2.gz BJEOJMXXQXCPHW-BDAKNGLRSA-N 0 3 179.267 2.021 10 0 AEAEHN CSCc1nc([C@@H](C)N)cs1 70840455 343537173 /nfs/dbraw/zinc/53/71/73/343537173.db2.gz RYBJWYACRKJVST-RXMQYKEDSA-N 0 3 188.321 2.026 10 0 AEAEHN C[C@H](N)c1csc(-c2ccoc2)n1 70840462 343537126 /nfs/dbraw/zinc/53/71/26/343537126.db2.gz FATOMZXTIGDFHP-LURJTMIESA-N 0 3 194.259 2.423 10 0 AEAEHN C[C@@H](N)c1csc(-c2ccoc2)n1 70840467 343537248 /nfs/dbraw/zinc/53/72/48/343537248.db2.gz FATOMZXTIGDFHP-ZCFIWIBFSA-N 0 3 194.259 2.423 10 0 AEAEHN CSCc1nc([C@H](C)N)cs1 70840452 343537439 /nfs/dbraw/zinc/53/74/39/343537439.db2.gz RYBJWYACRKJVST-YFKPBYRVSA-N 0 3 188.321 2.026 10 0 AEAEHN C1CC(NC2=NC[C@@H](C3CC3)S2)C1 70889078 343539211 /nfs/dbraw/zinc/53/92/11/343539211.db2.gz IBYNEPDTDJZWOJ-VIFPVBQESA-N 0 3 196.319 2.010 10 0 AEAEHN CC[C@]1(C)CO[C@H](C(C)(C)C)CN1 70893045 343539218 /nfs/dbraw/zinc/53/92/18/343539218.db2.gz UHOKVBUINFSSAJ-GXSJLCMTSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@]1(C)CSC(N[C@@H]2C[C@@H]2C)=N1 70892068 343539251 /nfs/dbraw/zinc/53/92/51/343539251.db2.gz ZVRXAFGDCWMBOE-QXFUBDJGSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)CSC(NC(C)C)=N1 70889897 343539310 /nfs/dbraw/zinc/53/93/10/343539310.db2.gz JODQSWBJBKOSQZ-SECBINFHSA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@]1(C)CO[C@@H](C(C)(C)C)CN1 70893055 343539316 /nfs/dbraw/zinc/53/93/16/343539316.db2.gz UHOKVBUINFSSAJ-MWLCHTKSSA-N 0 3 185.311 2.190 10 0 AEAEHN CC(C)(C)NC1=NC[C@H](C2CC2)S1 70887044 343539344 /nfs/dbraw/zinc/53/93/44/343539344.db2.gz ALUKPVJNLUWNDI-MRVPVSSYSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)CSC(NC2CC2)=N1 70890004 343539370 /nfs/dbraw/zinc/53/93/70/343539370.db2.gz NWEVZCYJFXJSCK-SECBINFHSA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@@]1(C)CSC(NC2CC2)=N1 70890008 343539374 /nfs/dbraw/zinc/53/93/74/343539374.db2.gz NWEVZCYJFXJSCK-VIFPVBQESA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@@]1(C)CSC(NCC2CC2)=N1 70890115 343539381 /nfs/dbraw/zinc/53/93/81/343539381.db2.gz TYKHXEFAGXSYJK-JTQLQIEISA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@@]1(C)CO[C@H](C(C)(C)C)CN1 70893051 343539411 /nfs/dbraw/zinc/53/94/11/343539411.db2.gz UHOKVBUINFSSAJ-ONGXEEELSA-N 0 3 185.311 2.190 10 0 AEAEHN C1CC(NC2=NC[C@H](C3CC3)S2)C1 70889071 343539416 /nfs/dbraw/zinc/53/94/16/343539416.db2.gz IBYNEPDTDJZWOJ-SECBINFHSA-N 0 3 196.319 2.010 10 0 AEAEHN CC[C@@]1(C)CO[C@@H](C(C)(C)C)CN1 70893060 343539425 /nfs/dbraw/zinc/53/94/25/343539425.db2.gz UHOKVBUINFSSAJ-KOLCDFICSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@]1(C)CSC(NC(C)C)=N1 70889902 343539457 /nfs/dbraw/zinc/53/94/57/343539457.db2.gz JODQSWBJBKOSQZ-VIFPVBQESA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@@]1(C)CSC(NC2CCC2)=N1 70892056 343539534 /nfs/dbraw/zinc/53/95/34/343539534.db2.gz RHJBMGRHXWYSDA-JTQLQIEISA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@]1(C)CSC(NCC2CC2)=N1 70890108 343539550 /nfs/dbraw/zinc/53/95/50/343539550.db2.gz TYKHXEFAGXSYJK-SNVBAGLBSA-N 0 3 198.335 2.258 10 0 AEAEHN Cc1cccnc1CNC1CCC1 70908491 343541490 /nfs/dbraw/zinc/54/14/90/343541490.db2.gz DOYLIYINIKMVDR-UHFFFAOYSA-N 0 3 176.263 2.032 10 0 AEAEHN CC[C@@](C)(N)c1nccc(C(C)C)n1 70951918 343543767 /nfs/dbraw/zinc/54/37/67/343543767.db2.gz GWQRHDYHZSWXBH-LLVKDONJSA-N 0 3 193.294 2.184 10 0 AEAEHN CC[C@](C)(N)c1nccc(C(C)C)n1 70951914 343544019 /nfs/dbraw/zinc/54/40/19/343544019.db2.gz GWQRHDYHZSWXBH-NSHDSACASA-N 0 3 193.294 2.184 10 0 AEAEHN Cc1ccc(OC(C)C)c(CN)c1 70954407 343544080 /nfs/dbraw/zinc/54/40/80/343544080.db2.gz NBMWWBSCUCUBKC-UHFFFAOYSA-N 0 3 179.263 2.241 10 0 AEAEHN Cc1ccncc1N1CCCCC1=N 70958847 343544879 /nfs/dbraw/zinc/54/48/79/343544879.db2.gz RAJTVYOCIMKWIA-UHFFFAOYSA-N 0 3 189.262 2.358 10 0 AEAEHN CN(C)[C@H]1CCNc2ccccc21 71479856 343553470 /nfs/dbraw/zinc/55/34/70/343553470.db2.gz QOUOXBVCCCFGMC-NSHDSACASA-N 0 3 176.263 2.105 10 0 AEAEHN CN(C)[C@@H]1CCNc2ccccc21 71479855 343553535 /nfs/dbraw/zinc/55/35/35/343553535.db2.gz QOUOXBVCCCFGMC-LLVKDONJSA-N 0 3 176.263 2.105 10 0 AEAEHN Cc1cc(C)c2c(N)nccc2c1 71482624 343553603 /nfs/dbraw/zinc/55/36/03/343553603.db2.gz AVGBFBNBHYVCEM-UHFFFAOYSA-N 0 3 172.231 2.434 10 0 AEAEHN CC1(C)CN[C@H](c2ccccc2)O1 71497199 343554533 /nfs/dbraw/zinc/55/45/33/343554533.db2.gz ITWGIVKZTYBDID-JTQLQIEISA-N 0 3 177.247 2.084 10 0 AEAEHN CC(C)Nc1ccc(F)cc1CN 71499093 343554999 /nfs/dbraw/zinc/55/49/99/343554999.db2.gz QIRWXJFBPDDZKW-UHFFFAOYSA-N 0 3 182.242 2.105 10 0 AEAEHN CC(C)Nc1cccc(F)c1CN 71499080 343555019 /nfs/dbraw/zinc/55/50/19/343555019.db2.gz KWRYNWZFNHOXMV-UHFFFAOYSA-N 0 3 182.242 2.105 10 0 AEAEHN Cc1ccc([C@@H]2CNC(C)(C)O2)cc1 71505804 343555132 /nfs/dbraw/zinc/55/51/32/343555132.db2.gz PYHLDDNHKKFZNI-NSHDSACASA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1ccc([C@H]2CNC(C)(C)O2)cc1 71505805 343555182 /nfs/dbraw/zinc/55/51/82/343555182.db2.gz PYHLDDNHKKFZNI-LLVKDONJSA-N 0 3 191.274 2.392 10 0 AEAEHN Cc1ccc(-c2oncc2CN)cc1 71500155 343555326 /nfs/dbraw/zinc/55/53/26/343555326.db2.gz NGVICTJTCLKMJY-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CC(C)(C)Nc1ccc(F)cc1CN 71507385 343555727 /nfs/dbraw/zinc/55/57/27/343555727.db2.gz DOQPJYQEGIZKQR-UHFFFAOYSA-N 0 3 196.269 2.495 10 0 AEAEHN CC[C@H](C)Nc1cccc(F)c1CN 71507370 343555640 /nfs/dbraw/zinc/55/56/40/343555640.db2.gz DTNUXSUFZUAGLL-QMMMGPOBSA-N 0 3 196.269 2.495 10 0 AEAEHN C[C@H](N)c1ccc(-c2ccco2)cn1 71609184 343556342 /nfs/dbraw/zinc/55/63/42/343556342.db2.gz NDLUEVGHXSCYRU-QMMMGPOBSA-N 0 3 188.230 2.361 10 0 AEAEHN Cc1ccc(C)c2c(CN)nccc12 74280312 343571757 /nfs/dbraw/zinc/57/17/57/343571757.db2.gz NJFQIJCFEQQMRL-UHFFFAOYSA-N 0 3 186.258 2.310 10 0 AEAEHN Cc1cc(C)c2c(CN)nccc2c1 74280318 343571774 /nfs/dbraw/zinc/57/17/74/343571774.db2.gz XVDYRWCDVNGCLO-UHFFFAOYSA-N 0 3 186.258 2.310 10 0 AEAEHN Cc1cc(C)c2ccnc(CN)c2c1 74280315 343571791 /nfs/dbraw/zinc/57/17/91/343571791.db2.gz RQKKBRFAWJTFEA-UHFFFAOYSA-N 0 3 186.258 2.310 10 0 AEAEHN Cc1ccc2ccnc(CN)c2c1 74310057 343572205 /nfs/dbraw/zinc/57/22/05/343572205.db2.gz HCZXRNKKUGJFFN-UHFFFAOYSA-N 0 3 172.231 2.002 10 0 AEAEHN Cc1nc(C)c(CN[C@H]2C[C@@H]2C)s1 80694420 343591888 /nfs/dbraw/zinc/59/18/88/343591888.db2.gz JCRSANBCYLYACC-RCOVLWMOSA-N 0 3 196.319 2.258 10 0 AEAEHN Cc1nc(C)c(CN[C@H]2C[C@H]2C)s1 80694428 343591900 /nfs/dbraw/zinc/59/19/00/343591900.db2.gz JCRSANBCYLYACC-MUWHJKNJSA-N 0 3 196.319 2.258 10 0 AEAEHN Cc1nc(C)c(CN[C@@H]2C[C@H]2C)s1 80694424 343592036 /nfs/dbraw/zinc/59/20/36/343592036.db2.gz JCRSANBCYLYACC-HZGVNTEJSA-N 0 3 196.319 2.258 10 0 AEAEHN Cc1nc(C)c(CN[C@@H]2C[C@@H]2C)s1 80694413 343592090 /nfs/dbraw/zinc/59/20/90/343592090.db2.gz JCRSANBCYLYACC-IMTBSYHQSA-N 0 3 196.319 2.258 10 0 AEAEHN CC1(C)C[C@@H](N)c2cccc(F)c2O1 82386560 343599818 /nfs/dbraw/zinc/59/98/18/343599818.db2.gz XGCZNKKURZONPB-SECBINFHSA-N 0 3 195.237 2.387 10 0 AEAEHN Cc1[nH]c(N)nc1-c1ccc(F)cc1 82530395 343605798 /nfs/dbraw/zinc/60/57/98/343605798.db2.gz IIQIIHWZKJBXSA-UHFFFAOYSA-N 0 3 191.209 2.106 10 0 AEAEHN CCc1ccc2ccnc(CN)c2c1 82766557 343612455 /nfs/dbraw/zinc/61/24/55/343612455.db2.gz HGXBNTWUDHNXAB-UHFFFAOYSA-N 0 3 186.258 2.256 10 0 AEAEHN Cc1cc2ccccc2c(CN)n1 82766568 343612509 /nfs/dbraw/zinc/61/25/09/343612509.db2.gz AKXYQZHDMMUZDM-UHFFFAOYSA-N 0 3 172.231 2.002 10 0 AEAEHN CC(C)NCc1ccncc1Cl 83340989 343618843 /nfs/dbraw/zinc/61/88/43/343618843.db2.gz GINYSDHYLLEBHP-UHFFFAOYSA-N 0 3 184.670 2.233 10 0 AEAEHN Cc1ncsc1CN[C@@H]1CC1(C)C 84149364 343631750 /nfs/dbraw/zinc/63/17/50/343631750.db2.gz HIAUJBBNYLMIDC-SECBINFHSA-N 0 3 196.319 2.340 10 0 AEAEHN C[C@@H](N)c1nc2c(s1)CCC2(C)C 86857591 343656537 /nfs/dbraw/zinc/65/65/37/343656537.db2.gz YIAGOBLSLIRAPQ-ZCFIWIBFSA-N 0 3 196.319 2.387 10 0 AEAEHN C[C@H]1C[C@H]1COc1ccccc1CN 87493552 343661962 /nfs/dbraw/zinc/66/19/62/343661962.db2.gz STMKZJKNRKSYCX-ONGXEEELSA-N 0 3 191.274 2.180 10 0 AEAEHN C[C@H]1C[C@@H]1COc1ccccc1CN 87493550 343662083 /nfs/dbraw/zinc/66/20/83/343662083.db2.gz STMKZJKNRKSYCX-GXSJLCMTSA-N 0 3 191.274 2.180 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC2(C)C)nc1 87782279 343664536 /nfs/dbraw/zinc/66/45/36/343664536.db2.gz KRKGIPCZHOLRKV-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN CC(C)N[C@H](CCO)c1ccsc1 95088310 343679934 /nfs/dbraw/zinc/67/99/34/343679934.db2.gz HEFHRURDJGUKDT-SNVBAGLBSA-N 0 3 199.319 2.170 10 0 AEAEHN CC(C)N[C@H](C)c1nccn1C1CC1 95088282 343679982 /nfs/dbraw/zinc/67/99/82/343679982.db2.gz AWPWCFIHZZFEEX-SECBINFHSA-N 0 3 193.294 2.277 10 0 AEAEHN CC(C)N[C@@H](CCO)c1ccsc1 95088309 343680338 /nfs/dbraw/zinc/68/03/38/343680338.db2.gz HEFHRURDJGUKDT-JTQLQIEISA-N 0 3 199.319 2.170 10 0 AEAEHN Cc1cc(F)c2ncc(CN)cc2c1 95883883 343689269 /nfs/dbraw/zinc/68/92/69/343689269.db2.gz DOSAKEILQGZUSU-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN Cc1cc2c3c(c1)nc(C)n3CCN2 95922463 343690014 /nfs/dbraw/zinc/69/00/14/343690014.db2.gz BNKGRMYEJANRAC-UHFFFAOYSA-N 0 3 187.246 2.079 10 0 AEAEHN Cc1nccc2[nH]cc(F)c12 96320869 343695769 /nfs/dbraw/zinc/69/57/69/343695769.db2.gz RTGXKQBKZMDQSO-UHFFFAOYSA-N 0 3 150.156 2.010 10 0 AEAEHN c1ccc(-c2cc3c([nH]2)CNC3)cc1 96321289 343696267 /nfs/dbraw/zinc/69/62/67/343696267.db2.gz ZCLRZDBHDCSIDP-UHFFFAOYSA-N 0 3 184.242 2.285 10 0 AEAEHN Cc1ccc(F)c2c1CSC[C@H]2N 97857839 343703801 /nfs/dbraw/zinc/70/38/01/343703801.db2.gz KTBYKQBWKRTAKH-SECBINFHSA-N 0 3 197.278 2.381 10 0 AEAEHN CCC1=CN(C)C=CC1 100095202 343710881 /nfs/dbraw/zinc/71/08/81/343710881.db2.gz HSWOLWFFOGBKCA-UHFFFAOYSA-N 0 3 123.199 2.130 10 0 AEAEHN CC(C)C[C@]1(F)CCCNC1 107119576 343740902 /nfs/dbraw/zinc/74/09/02/343740902.db2.gz GHQSLCUOXQVFJA-SECBINFHSA-N 0 3 159.248 2.124 10 0 AEAEHN Cc1ccc2c(c1C)OC(C)C2=O 105738239 343736853 /nfs/dbraw/zinc/73/68/53/343736853.db2.gz NCBKNHHGCRGCEX-MRVPVSSYSA-N 0 3 176.215 2.267 10 0 AEAEHN CCOc1ccc2c(c1)C(=O)C(C)O2 105738264 343736983 /nfs/dbraw/zinc/73/69/83/343736983.db2.gz IVPYVSICHBUPEY-ZETCQYMHSA-N 0 3 192.214 2.049 10 0 AEAEHN Cc1cc2c(cc1C)C(=O)C(C)O2 105738227 343737024 /nfs/dbraw/zinc/73/70/24/343737024.db2.gz VDVWJDANBLMMOQ-MRVPVSSYSA-N 0 3 176.215 2.267 10 0 AEAEHN CCc1cccc2c1OC(C)C2=O 105738355 343737298 /nfs/dbraw/zinc/73/72/98/343737298.db2.gz DYSBVTNKINPTNA-SSDOTTSWSA-N 0 3 176.215 2.213 10 0 AEAEHN CCc1nc(C2CC2)c(N)n1C1CC1 106558306 343738309 /nfs/dbraw/zinc/73/83/09/343738309.db2.gz FPKNXBRTCWXXIX-UHFFFAOYSA-N 0 3 191.278 2.240 10 0 AEAEHN CC(C)Cc1nc(C2(N)CC2)cs1 106873749 343739097 /nfs/dbraw/zinc/73/90/97/343739097.db2.gz HZSJHUVQLUPVGQ-UHFFFAOYSA-N 0 3 196.319 2.289 10 0 AEAEHN C[C@H](N)[C@@H](F)c1ccccc1 107117537 343740538 /nfs/dbraw/zinc/74/05/38/343740538.db2.gz PPZYDZIZQRVGPE-IONNQARKSA-N 0 3 153.200 2.044 10 0 AEAEHN C[C@@H](N)[C@@H](F)c1ccccc1 107117540 343740562 /nfs/dbraw/zinc/74/05/62/343740562.db2.gz PPZYDZIZQRVGPE-VXNVDRBHSA-N 0 3 153.200 2.044 10 0 AEAEHN CC(C)C[C@@]1(F)CCCNC1 107119578 343740855 /nfs/dbraw/zinc/74/08/55/343740855.db2.gz GHQSLCUOXQVFJA-VIFPVBQESA-N 0 3 159.248 2.124 10 0 AEAEHN CC[C@@H](C)[C@]1(F)CCCNC1 107119580 343740926 /nfs/dbraw/zinc/74/09/26/343740926.db2.gz OFRBFMUWMZNDKE-BDAKNGLRSA-N 0 3 159.248 2.124 10 0 AEAEHN CC[C@@H](C)[C@@]1(F)CCCNC1 107119585 343740977 /nfs/dbraw/zinc/74/09/77/343740977.db2.gz OFRBFMUWMZNDKE-RKDXNWHRSA-N 0 3 159.248 2.124 10 0 AEAEHN CC[C@H](C)[C@@]1(F)CCCNC1 107119588 343741024 /nfs/dbraw/zinc/74/10/24/343741024.db2.gz OFRBFMUWMZNDKE-DTWKUNHWSA-N 0 3 159.248 2.124 10 0 AEAEHN CC[C@H](C)[C@]1(F)CCCNC1 107119582 343741130 /nfs/dbraw/zinc/74/11/30/343741130.db2.gz OFRBFMUWMZNDKE-IUCAKERBSA-N 0 3 159.248 2.124 10 0 AEAEHN F[C@@]1(C2CCCC2)CCCNC1 107123318 343741916 /nfs/dbraw/zinc/74/19/16/343741916.db2.gz IVHSODLEROANOH-JTQLQIEISA-N 0 3 171.259 2.268 10 0 AEAEHN N[C@@H](c1ccco1)[C@H]1CCSC1 107129779 343743176 /nfs/dbraw/zinc/74/31/76/343743176.db2.gz UUBWPJOYCQWYEQ-IONNQARKSA-N 0 3 183.276 2.033 10 0 AEAEHN F[C@]1(c2cccs2)CCCNC1 107131065 343743239 /nfs/dbraw/zinc/74/32/39/343743239.db2.gz LYLRAABYKVYKPF-SECBINFHSA-N 0 3 185.267 2.296 10 0 AEAEHN N[C@@H](c1ccco1)[C@@H]1CCSC1 107129773 343743275 /nfs/dbraw/zinc/74/32/75/343743275.db2.gz UUBWPJOYCQWYEQ-VXNVDRBHSA-N 0 3 183.276 2.033 10 0 AEAEHN F[C@@]1(c2cccs2)CCCNC1 107131061 343743296 /nfs/dbraw/zinc/74/32/96/343743296.db2.gz LYLRAABYKVYKPF-VIFPVBQESA-N 0 3 185.267 2.296 10 0 AEAEHN N[C@H](c1ccco1)[C@@H]1CCSC1 107129776 343743336 /nfs/dbraw/zinc/74/33/36/343743336.db2.gz UUBWPJOYCQWYEQ-APPZFPTMSA-N 0 3 183.276 2.033 10 0 AEAEHN Cc1cccc(-c2oncc2CN)c1 107133402 343743361 /nfs/dbraw/zinc/74/33/61/343743361.db2.gz KZYKNTLTJSTMNK-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN N[C@H](c1ccco1)C1CCSCC1 107140793 343744174 /nfs/dbraw/zinc/74/41/74/343744174.db2.gz WHTZWPQGCUBQQP-JTQLQIEISA-N 0 3 197.303 2.423 10 0 AEAEHN COc1c(C)cc([C@@H](N)CF)cc1C 107140409 343744253 /nfs/dbraw/zinc/74/42/53/343744253.db2.gz FTABOCCLDUXQEE-JTQLQIEISA-N 0 3 197.253 2.281 10 0 AEAEHN Fc1ccc([C@@]2(F)CCCNC2)cc1 107139988 343744275 /nfs/dbraw/zinc/74/42/75/343744275.db2.gz OGNHSDNQOUBBFB-LLVKDONJSA-N 0 3 197.228 2.374 10 0 AEAEHN COc1c(C)cc([C@H](N)CF)cc1C 107140405 343744282 /nfs/dbraw/zinc/74/42/82/343744282.db2.gz FTABOCCLDUXQEE-SNVBAGLBSA-N 0 3 197.253 2.281 10 0 AEAEHN F[C@]1(Cc2cccs2)CCCNC1 107142537 343744446 /nfs/dbraw/zinc/74/44/46/343744446.db2.gz BBOXGYHJIZVHJY-JTQLQIEISA-N 0 3 199.294 2.382 10 0 AEAEHN F[C@]1(Cc2ccsc2)CCCNC1 107142533 343744499 /nfs/dbraw/zinc/74/44/99/343744499.db2.gz JARSLWWZPQYPOJ-JTQLQIEISA-N 0 3 199.294 2.382 10 0 AEAEHN F[C@@]1(Cc2cccs2)CCCNC1 107142535 343744521 /nfs/dbraw/zinc/74/45/21/343744521.db2.gz BBOXGYHJIZVHJY-SNVBAGLBSA-N 0 3 199.294 2.382 10 0 AEAEHN F[C@@]1(Cc2ccsc2)CCCNC1 107142530 343744627 /nfs/dbraw/zinc/74/46/27/343744627.db2.gz JARSLWWZPQYPOJ-SNVBAGLBSA-N 0 3 199.294 2.382 10 0 AEAEHN CN(c1ccccc1CN)C1CCC1 107175832 343746763 /nfs/dbraw/zinc/74/67/63/343746763.db2.gz WJWHUDUDKCLXST-UHFFFAOYSA-N 0 3 190.290 2.134 10 0 AEAEHN CC(C)n1ncc(Cl)c1[C@@H](C)N 107173713 343746887 /nfs/dbraw/zinc/74/68/87/343746887.db2.gz IFHBOGNKPYXWNH-ZCFIWIBFSA-N 0 3 187.674 2.137 10 0 AEAEHN CC(C)n1ncc(Cl)c1[C@H](C)N 107173714 343746993 /nfs/dbraw/zinc/74/69/93/343746993.db2.gz IFHBOGNKPYXWNH-LURJTMIESA-N 0 3 187.674 2.137 10 0 AEAEHN c1cnc2c(c1)CC[C@H]1CCCN[C@@H]21 107419333 343749543 /nfs/dbraw/zinc/74/95/43/343749543.db2.gz FOPSJTFDPLIFJI-ZYHUDNBSSA-N 0 3 188.274 2.069 10 0 AEAEHN c1cnc2c(c1)CC[C@H]1CCCN[C@H]21 107419331 343749661 /nfs/dbraw/zinc/74/96/61/343749661.db2.gz FOPSJTFDPLIFJI-PWSUYJOCSA-N 0 3 188.274 2.069 10 0 AEAEHN c1cnc2c(c1)CC[C@@H]1CCCN[C@@H]21 107419330 343749763 /nfs/dbraw/zinc/74/97/63/343749763.db2.gz FOPSJTFDPLIFJI-CMPLNLGQSA-N 0 3 188.274 2.069 10 0 AEAEHN c1cnc2c(c1)CC[C@@H]1CCCN[C@H]21 107419327 343749774 /nfs/dbraw/zinc/74/97/74/343749774.db2.gz FOPSJTFDPLIFJI-JQWIXIFHSA-N 0 3 188.274 2.069 10 0 AEAEHN Cc1ccc([C@@](C)(F)CN)cc1 108286814 343751043 /nfs/dbraw/zinc/75/10/43/343751043.db2.gz GFPIKWXQZJGFJH-JTQLQIEISA-N 0 3 167.227 2.138 10 0 AEAEHN NC[C@@H](F)CC1CCCCC1 108284632 343751100 /nfs/dbraw/zinc/75/11/00/343751100.db2.gz ZAQOHMZUKGJDTF-VIFPVBQESA-N 0 3 159.248 2.254 10 0 AEAEHN NC[C@H](F)CC1CCCCC1 108284636 343751160 /nfs/dbraw/zinc/75/11/60/343751160.db2.gz ZAQOHMZUKGJDTF-SECBINFHSA-N 0 3 159.248 2.254 10 0 AEAEHN Cc1ccc([C@](C)(F)CN)cc1 108286810 343751313 /nfs/dbraw/zinc/75/13/13/343751313.db2.gz GFPIKWXQZJGFJH-SNVBAGLBSA-N 0 3 167.227 2.138 10 0 AEAEHN NC[C@@H](F)c1cccc(Cl)c1 108290597 343751593 /nfs/dbraw/zinc/75/15/93/343751593.db2.gz LCHUFTXNMCOWIV-MRVPVSSYSA-N 0 3 173.618 2.309 10 0 AEAEHN CC[C@@](F)(CN)c1ccc(F)cc1 108297823 343751721 /nfs/dbraw/zinc/75/17/21/343751721.db2.gz FIZBUPRCHRAKJD-SNVBAGLBSA-N 0 3 185.217 2.359 10 0 AEAEHN C[C@@](F)(CN)c1ccc(Cl)cc1 108299752 343751781 /nfs/dbraw/zinc/75/17/81/343751781.db2.gz TYKORWOFSLITAJ-SECBINFHSA-N 0 3 187.645 2.483 10 0 AEAEHN C[C@](F)(CN)c1ccc(Cl)cc1 108299755 343751873 /nfs/dbraw/zinc/75/18/73/343751873.db2.gz TYKORWOFSLITAJ-VIFPVBQESA-N 0 3 187.645 2.483 10 0 AEAEHN NC[C@H](F)c1cccc(Cl)c1 108290600 343751902 /nfs/dbraw/zinc/75/19/02/343751902.db2.gz LCHUFTXNMCOWIV-QMMMGPOBSA-N 0 3 173.618 2.309 10 0 AEAEHN NC[C@@H](F)c1ccc(Cl)cc1 108290609 343751911 /nfs/dbraw/zinc/75/19/11/343751911.db2.gz UFPQRRVGKFBZEQ-MRVPVSSYSA-N 0 3 173.618 2.309 10 0 AEAEHN CC[C@](F)(CN)c1ccc(F)cc1 108297825 343751972 /nfs/dbraw/zinc/75/19/72/343751972.db2.gz FIZBUPRCHRAKJD-JTQLQIEISA-N 0 3 185.217 2.359 10 0 AEAEHN NC[C@H](F)c1ccc(Cl)cc1 108290611 343751981 /nfs/dbraw/zinc/75/19/81/343751981.db2.gz UFPQRRVGKFBZEQ-QMMMGPOBSA-N 0 3 173.618 2.309 10 0 AEAEHN CC[C@@](F)(CN)c1ccc(OC)cc1 108308012 343752160 /nfs/dbraw/zinc/75/21/60/343752160.db2.gz SKBZXYOQKVJNML-LLVKDONJSA-N 0 3 197.253 2.229 10 0 AEAEHN CC[C@](F)(CN)c1ccc(OC)cc1 108308013 343752529 /nfs/dbraw/zinc/75/25/29/343752529.db2.gz SKBZXYOQKVJNML-NSHDSACASA-N 0 3 197.253 2.229 10 0 AEAEHN CN(C)/C=C/c1ccccc1 113071841 343756486 /nfs/dbraw/zinc/75/64/86/343756486.db2.gz SDYRIBONPHEWCT-CMDGGOBGSA-N 0 3 147.221 2.219 10 0 AEAEHN CCN(C)Cc1ccc(F)cc1 113248512 343757777 /nfs/dbraw/zinc/75/77/77/343757777.db2.gz DIABMCLVHYTCGC-UHFFFAOYSA-N 0 3 167.227 2.277 10 0 AEAEHN CC(C)Nc1ccc2c(c1)CNC2 113592410 343759215 /nfs/dbraw/zinc/75/92/15/343759215.db2.gz UIEHHQOIYDRUJF-UHFFFAOYSA-N 0 3 176.263 2.110 10 0 AEAEHN C=CCNCC(=C)c1ccccc1 116322280 343768917 /nfs/dbraw/zinc/76/89/17/343768917.db2.gz SIUMQKKBHDBFGV-UHFFFAOYSA-N 0 3 173.259 2.475 10 0 AEAEHN Nc1ccc(F)c(CN2CCCC2)c1 117769127 343773358 /nfs/dbraw/zinc/77/33/58/343773358.db2.gz SAUKDSRUTXCQLC-UHFFFAOYSA-N 0 3 194.253 2.004 10 0 AEAEHN C[C@H]1C[C@@H]1CNCc1ccoc1 122212997 343778054 /nfs/dbraw/zinc/77/80/54/343778054.db2.gz NBXQIPDVEYILAR-WCBMZHEXSA-N 0 3 165.236 2.025 10 0 AEAEHN C[C@@H]1C[C@H]1CNCc1ccoc1 122213218 343778182 /nfs/dbraw/zinc/77/81/82/343778182.db2.gz NBXQIPDVEYILAR-SCZZXKLOSA-N 0 3 165.236 2.025 10 0 AEAEHN C[C@@H]1C[C@@H]1CNCc1ccoc1 122212800 343778213 /nfs/dbraw/zinc/77/82/13/343778213.db2.gz NBXQIPDVEYILAR-PSASIEDQSA-N 0 3 165.236 2.025 10 0 AEAEHN C[C@H]1C[C@H]1CNCc1ccoc1 122213513 343778296 /nfs/dbraw/zinc/77/82/96/343778296.db2.gz NBXQIPDVEYILAR-WPRPVWTQSA-N 0 3 165.236 2.025 10 0 AEAEHN c1csc(CNCCCC2CC2)n1 124952763 343788373 /nfs/dbraw/zinc/78/83/73/343788373.db2.gz XGRALVQKEOZTAA-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN Cc1ccoc1CN[C@@H]1CC1(C)C 126700017 343795879 /nfs/dbraw/zinc/79/58/79/343795879.db2.gz HZQOWCLUGHQGIY-SNVBAGLBSA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1ccoc1CN[C@@H]1C[C@H]1C 126763548 343796349 /nfs/dbraw/zinc/79/63/49/343796349.db2.gz VZQZJXKIFBAHPD-RKDXNWHRSA-N 0 3 165.236 2.086 10 0 AEAEHN C[C@H]1C[C@H](Nc2ccsc2)CN1C 126746732 343796360 /nfs/dbraw/zinc/79/63/60/343796360.db2.gz YICXTISXKOQPEZ-WPRPVWTQSA-N 0 3 196.319 2.253 10 0 AEAEHN Cc1ccoc1CN[C@@H]1C[C@@H]1C 126763096 343796567 /nfs/dbraw/zinc/79/65/67/343796567.db2.gz VZQZJXKIFBAHPD-DTWKUNHWSA-N 0 3 165.236 2.086 10 0 AEAEHN Cc1ccoc1CN[C@H]1C[C@H]1C 126763804 343796766 /nfs/dbraw/zinc/79/67/66/343796766.db2.gz VZQZJXKIFBAHPD-BDAKNGLRSA-N 0 3 165.236 2.086 10 0 AEAEHN C[C@H]1C[C@@H](Nc2ccsc2)CN1C 126747139 343796774 /nfs/dbraw/zinc/79/67/74/343796774.db2.gz YICXTISXKOQPEZ-WCBMZHEXSA-N 0 3 196.319 2.253 10 0 AEAEHN C[C@@H]1C[C@@H](Nc2ccsc2)CN1C 126746921 343796786 /nfs/dbraw/zinc/79/67/86/343796786.db2.gz YICXTISXKOQPEZ-PSASIEDQSA-N 0 3 196.319 2.253 10 0 AEAEHN C[C@@H]1C[C@H](Nc2ccsc2)CN1C 126746512 343796843 /nfs/dbraw/zinc/79/68/43/343796843.db2.gz YICXTISXKOQPEZ-SCZZXKLOSA-N 0 3 196.319 2.253 10 0 AEAEHN CC[C@H](N)c1ncc(C)cc1C 126875616 343799018 /nfs/dbraw/zinc/79/90/18/343799018.db2.gz QIJNQGGQAQLUGZ-VIFPVBQESA-N 0 3 164.252 2.108 10 0 AEAEHN CC[C@@H](N)c1ncc(C)cc1C 126875835 343799266 /nfs/dbraw/zinc/79/92/66/343799266.db2.gz QIJNQGGQAQLUGZ-SECBINFHSA-N 0 3 164.252 2.108 10 0 AEAEHN COc1cccc(SC)c1[C@@H](C)N 126914092 343800173 /nfs/dbraw/zinc/80/01/73/343800173.db2.gz SUKVNZUVXZBEMX-SSDOTTSWSA-N 0 3 197.303 2.437 10 0 AEAEHN COc1cccc(SC)c1[C@H](C)N 126913896 343800402 /nfs/dbraw/zinc/80/04/02/343800402.db2.gz SUKVNZUVXZBEMX-ZETCQYMHSA-N 0 3 197.303 2.437 10 0 AEAEHN CC(C)(C)c1nc([C@H]2CCN2)cs1 126977954 343801890 /nfs/dbraw/zinc/80/18/90/343801890.db2.gz BISJYEWHFQYJRI-SSDOTTSWSA-N 0 3 196.319 2.475 10 0 AEAEHN COc1cccc(F)c1[C@@]1(C)CCN1 126976514 343802022 /nfs/dbraw/zinc/80/20/22/343802022.db2.gz HLWIVGFKQWSTJG-LLVKDONJSA-N 0 3 195.237 2.043 10 0 AEAEHN CC(C)(C)c1nc([C@@H]2CCN2)cs1 126977675 343802116 /nfs/dbraw/zinc/80/21/16/343802116.db2.gz BISJYEWHFQYJRI-ZETCQYMHSA-N 0 3 196.319 2.475 10 0 AEAEHN COc1cccc(F)c1[C@]1(C)CCN1 126976712 343802244 /nfs/dbraw/zinc/80/22/44/343802244.db2.gz HLWIVGFKQWSTJG-NSHDSACASA-N 0 3 195.237 2.043 10 0 AEAEHN CCO[C@@H](C)CNCc1ccccc1 127075496 343803644 /nfs/dbraw/zinc/80/36/44/343803644.db2.gz LORZEZBGXNAACM-NSHDSACASA-N 0 3 193.290 2.201 10 0 AEAEHN CN[C@H](c1ccoc1)[C@H]1CC[C@@H](C)O1 127126175 343804781 /nfs/dbraw/zinc/80/47/81/343804781.db2.gz LBDKOOWXVZWMRI-FBIMIBRVSA-N 0 3 195.262 2.108 10 0 AEAEHN CN[C@H](c1ccoc1)[C@@H]1CC[C@@H](C)O1 127126636 343805083 /nfs/dbraw/zinc/80/50/83/343805083.db2.gz LBDKOOWXVZWMRI-DVVUODLYSA-N 0 3 195.262 2.108 10 0 AEAEHN CN[C@H](c1ccoc1)[C@H]1CC[C@H](C)O1 127126409 343805155 /nfs/dbraw/zinc/80/51/55/343805155.db2.gz LBDKOOWXVZWMRI-JMJZKYOTSA-N 0 3 195.262 2.108 10 0 AEAEHN CN[C@H](c1ccoc1)[C@@H]1CC[C@H](C)O1 127126867 343805160 /nfs/dbraw/zinc/80/51/60/343805160.db2.gz LBDKOOWXVZWMRI-INTQDDNPSA-N 0 3 195.262 2.108 10 0 AEAEHN CCCn1c(C)nc(C2CCC2)c1N 127234900 343807949 /nfs/dbraw/zinc/80/79/49/343807949.db2.gz GBDRMGVNUJCVLA-UHFFFAOYSA-N 0 3 193.294 2.451 10 0 AEAEHN CCCc1nc(C2CCC2)c(N)n1C 127239604 343808425 /nfs/dbraw/zinc/80/84/25/343808425.db2.gz VVTQMNHZHTUSAV-UHFFFAOYSA-N 0 3 193.294 2.222 10 0 AEAEHN CC[C@@H](C)c1nc2n(c1N)CCCC2 127343486 343810152 /nfs/dbraw/zinc/81/01/52/343810152.db2.gz ZFHQCZCOINBBRZ-MRVPVSSYSA-N 0 3 193.294 2.315 10 0 AEAEHN CCCc1nc2n(c1N)CC[C@@H](C)C2 127360572 343810176 /nfs/dbraw/zinc/81/01/76/343810176.db2.gz CLMKQTIIBOKCCE-MRVPVSSYSA-N 0 3 193.294 2.000 10 0 AEAEHN CCCc1nc2n(c1N)C[C@H](C)CC2 127347518 343810188 /nfs/dbraw/zinc/81/01/88/343810188.db2.gz JJIGKRQRPNSNHP-MRVPVSSYSA-N 0 3 193.294 2.000 10 0 AEAEHN CC(C)c1nc2n(c1N)C[C@H](C)CC2 127350384 343810292 /nfs/dbraw/zinc/81/02/92/343810292.db2.gz SSHQRGBDQXUHOB-MRVPVSSYSA-N 0 3 193.294 2.171 10 0 AEAEHN CC(C)c1nc2n(c1N)C[C@@H](C)CC2 127350641 343810366 /nfs/dbraw/zinc/81/03/66/343810366.db2.gz SSHQRGBDQXUHOB-QMMMGPOBSA-N 0 3 193.294 2.171 10 0 AEAEHN CC[C@H](C)c1nc2n(c1N)CCCC2 127343692 343810401 /nfs/dbraw/zinc/81/04/01/343810401.db2.gz ZFHQCZCOINBBRZ-QMMMGPOBSA-N 0 3 193.294 2.315 10 0 AEAEHN CCCc1nc2n(c1N)C[C@@H](C)CC2 127347273 343810605 /nfs/dbraw/zinc/81/06/05/343810605.db2.gz JJIGKRQRPNSNHP-QMMMGPOBSA-N 0 3 193.294 2.000 10 0 AEAEHN CC(C)c1nc2n(c1N)CC[C@H](C)C2 127364072 343810795 /nfs/dbraw/zinc/81/07/95/343810795.db2.gz SJNLVWLFYPAEJA-QMMMGPOBSA-N 0 3 193.294 2.171 10 0 AEAEHN CC(C)c1nc2n(c1N)CC[C@@H](C)C2 127363845 343810897 /nfs/dbraw/zinc/81/08/97/343810897.db2.gz SJNLVWLFYPAEJA-MRVPVSSYSA-N 0 3 193.294 2.171 10 0 AEAEHN CCCc1nc2n(c1N)CCC[C@@H]2C 127367734 343810935 /nfs/dbraw/zinc/81/09/35/343810935.db2.gz YAGBLJDTJHFEMG-QMMMGPOBSA-N 0 3 193.294 2.315 10 0 AEAEHN CCCc1nc2n(c1N)CCC[C@H]2C 127367521 343811317 /nfs/dbraw/zinc/81/13/17/343811317.db2.gz YAGBLJDTJHFEMG-MRVPVSSYSA-N 0 3 193.294 2.315 10 0 AEAEHN Cc1cc(CN[C@@H]2C[C@H]2C)c(C)o1 127615548 343814984 /nfs/dbraw/zinc/81/49/84/343814984.db2.gz XBWWWDZNMOYBPG-RDDDGLTNSA-N 0 3 179.263 2.394 10 0 AEAEHN Cn1nccc1[C@@H](N)C1(C)CCCC1 127612563 343815017 /nfs/dbraw/zinc/81/50/17/343815017.db2.gz IZDACEDATUUHBC-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN Cc1cc(CN[C@H]2C[C@H]2C)c(C)o1 127615774 343815040 /nfs/dbraw/zinc/81/50/40/343815040.db2.gz XBWWWDZNMOYBPG-HQJQHLMTSA-N 0 3 179.263 2.394 10 0 AEAEHN Cc1cc(CN[C@H]2C[C@@H]2C)c(C)o1 127615360 343815057 /nfs/dbraw/zinc/81/50/57/343815057.db2.gz XBWWWDZNMOYBPG-CPCISQLKSA-N 0 3 179.263 2.394 10 0 AEAEHN Cc1cc(CN[C@@H]2C[C@@H]2C)c(C)o1 127615087 343815116 /nfs/dbraw/zinc/81/51/16/343815116.db2.gz XBWWWDZNMOYBPG-WRWORJQWSA-N 0 3 179.263 2.394 10 0 AEAEHN CC[C@@H](C)c1nc2c([nH]1)[C@H](N)CCC2 127626217 343815581 /nfs/dbraw/zinc/81/55/81/343815581.db2.gz RCBOFOPZWLGVGX-HTQZYQBOSA-N 0 3 193.294 2.259 10 0 AEAEHN CC[C@@H](C)c1nc2c([nH]1)[C@@H](N)CCC2 127626675 343815652 /nfs/dbraw/zinc/81/56/52/343815652.db2.gz RCBOFOPZWLGVGX-SFYZADRCSA-N 0 3 193.294 2.259 10 0 AEAEHN CC[C@H](C)c1nc2c([nH]1)[C@H](N)CCC2 127626435 343815959 /nfs/dbraw/zinc/81/59/59/343815959.db2.gz RCBOFOPZWLGVGX-JGVFFNPUSA-N 0 3 193.294 2.259 10 0 AEAEHN CC[C@H](C)c1nc2c([nH]1)[C@@H](N)CCC2 127626902 343815964 /nfs/dbraw/zinc/81/59/64/343815964.db2.gz RCBOFOPZWLGVGX-YUMQZZPRSA-N 0 3 193.294 2.259 10 0 AEAEHN CSC[C@@H](C)Nc1ccncc1 127769554 343819089 /nfs/dbraw/zinc/81/90/89/343819089.db2.gz PJGVILNMLJSQGG-MRVPVSSYSA-N 0 3 182.292 2.245 10 0 AEAEHN CC[C@@H]([NH3+])Cc1c([O-])cccc1Cl 127992137 343822837 /nfs/dbraw/zinc/82/28/37/343822837.db2.gz PPTUEHWATLZRGN-SSDOTTSWSA-N 0 3 199.681 2.325 10 0 AEAEHN CC[C@H]([NH3+])Cc1c([O-])cccc1Cl 127991916 343822864 /nfs/dbraw/zinc/82/28/64/343822864.db2.gz PPTUEHWATLZRGN-ZETCQYMHSA-N 0 3 199.681 2.325 10 0 AEAEHN C[C@@H]1CC[C@H](Nc2cccc(N)n2)C1 128115845 343825426 /nfs/dbraw/zinc/82/54/26/343825426.db2.gz FDKUIPZBXLGDMT-BDAKNGLRSA-N 0 3 191.278 2.264 10 0 AEAEHN CCC1(O)CN(C2CCCCCC2)C1 128357464 343829542 /nfs/dbraw/zinc/82/95/42/343829542.db2.gz XQXIYTLJOHCDDJ-UHFFFAOYSA-N 0 3 197.322 2.166 10 0 AEAEHN NCc1ccn(C2CCCCCC2)n1 128582424 343834134 /nfs/dbraw/zinc/83/41/34/343834134.db2.gz NZDMKGULYXWJSU-UHFFFAOYSA-N 0 3 193.294 2.237 10 0 AEAEHN CC1(C)CC[C@H](NCc2cnco2)C1 128609695 343834585 /nfs/dbraw/zinc/83/45/85/343834585.db2.gz SXBLPNCWEOZWAL-VIFPVBQESA-N 0 3 194.278 2.343 10 0 AEAEHN CC1(C)CC[C@@H](NCc2cnco2)C1 128609910 343834831 /nfs/dbraw/zinc/83/48/31/343834831.db2.gz SXBLPNCWEOZWAL-SECBINFHSA-N 0 3 194.278 2.343 10 0 AEAEHN Cc1cccc2c1C1(CC1)CNC2 128656003 343835645 /nfs/dbraw/zinc/83/56/45/343835645.db2.gz IACJLTXOHIXSJU-UHFFFAOYSA-N 0 3 173.259 2.130 10 0 AEAEHN COC1([C@@H](N)c2ccoc2)CCCC1 128857795 343838880 /nfs/dbraw/zinc/83/88/80/343838880.db2.gz ZKBQOGNHBDQYQL-JTQLQIEISA-N 0 3 195.262 2.239 10 0 AEAEHN CC1CC(NCc2ccoc2)C1 128863043 343839575 /nfs/dbraw/zinc/83/95/75/343839575.db2.gz SFBYGIVYTYTCLC-UHFFFAOYSA-N 0 3 165.236 2.168 10 0 AEAEHN C1CCCC(=C2CNC2)CC1 128931791 343840666 /nfs/dbraw/zinc/84/06/66/343840666.db2.gz ZGRBPXBMFHXXTH-UHFFFAOYSA-N 0 3 151.253 2.240 10 0 AEAEHN C[C@@H]1CC[C@H]([C@H](N)c2ccsc2)O1 129216506 343846320 /nfs/dbraw/zinc/84/63/20/343846320.db2.gz APOOABYUWGBNEB-SZEHBUNVSA-N 0 3 197.303 2.315 10 0 AEAEHN C[C@@H]1CC[C@@H]([C@H](N)c2ccsc2)O1 129216978 343846363 /nfs/dbraw/zinc/84/63/63/343846363.db2.gz APOOABYUWGBNEB-FKTZTGRPSA-N 0 3 197.303 2.315 10 0 AEAEHN CC[C@@H]1Oc2c(C)cc(F)cc2[C@@H]1N 129268314 343846722 /nfs/dbraw/zinc/84/67/22/343846722.db2.gz VPNYKSMVHVXIAL-UWVGGRQHSA-N 0 3 195.237 2.305 10 0 AEAEHN CC[C@H]1Oc2c(C)cc(F)cc2[C@@H]1N 129268100 343846892 /nfs/dbraw/zinc/84/68/92/343846892.db2.gz VPNYKSMVHVXIAL-ZJUUUORDSA-N 0 3 195.237 2.305 10 0 AEAEHN N[C@H](c1ccsc1)[C@H]1CCCCO1 129264411 343846908 /nfs/dbraw/zinc/84/69/08/343846908.db2.gz OSUIGTGJHFTTIC-NXEZZACHSA-N 0 3 197.303 2.317 10 0 AEAEHN C[C@@H](c1ccc(N)cc1)N1CC=CC1 129253799 343846951 /nfs/dbraw/zinc/84/69/51/343846951.db2.gz KIXWSRUDTRYHLL-JTQLQIEISA-N 0 3 188.274 2.202 10 0 AEAEHN CC[C@@H]1Oc2c(C)cc(F)cc2[C@H]1N 129267870 343846997 /nfs/dbraw/zinc/84/69/97/343846997.db2.gz VPNYKSMVHVXIAL-VHSXEESVSA-N 0 3 195.237 2.305 10 0 AEAEHN CCN[C@@H]1COc2c(C)cc(F)cc21 129262676 343847030 /nfs/dbraw/zinc/84/70/30/343847030.db2.gz AAMACDHDOOCRAP-SNVBAGLBSA-N 0 3 195.237 2.177 10 0 AEAEHN CC[C@H]1Oc2c(C)cc(F)cc2[C@H]1N 129267641 343847081 /nfs/dbraw/zinc/84/70/81/343847081.db2.gz VPNYKSMVHVXIAL-NXEZZACHSA-N 0 3 195.237 2.305 10 0 AEAEHN CCN[C@H]1COc2c(C)cc(F)cc21 129262885 343847137 /nfs/dbraw/zinc/84/71/37/343847137.db2.gz AAMACDHDOOCRAP-JTQLQIEISA-N 0 3 195.237 2.177 10 0 AEAEHN CN[C@@H]1CCOc2c(C)cc(F)cc21 129264231 343847180 /nfs/dbraw/zinc/84/71/80/343847180.db2.gz HBNHSTUGMPDLFC-SNVBAGLBSA-N 0 3 195.237 2.177 10 0 AEAEHN N[C@@H](c1ccsc1)[C@@H]1CCCCO1 129263738 343847183 /nfs/dbraw/zinc/84/71/83/343847183.db2.gz OSUIGTGJHFTTIC-UWVGGRQHSA-N 0 3 197.303 2.317 10 0 AEAEHN N[C@@H](c1ccsc1)[C@H]1CCCCO1 129264202 343847185 /nfs/dbraw/zinc/84/71/85/343847185.db2.gz OSUIGTGJHFTTIC-ZJUUUORDSA-N 0 3 197.303 2.317 10 0 AEAEHN C[C@@H]1CCO[C@H]1[C@H](N)c1ccsc1 129295262 343847726 /nfs/dbraw/zinc/84/77/26/343847726.db2.gz GKVBSRYFVODASD-SZEHBUNVSA-N 0 3 197.303 2.173 10 0 AEAEHN C[C@@H]1CCO[C@@H]1[C@H](N)c1ccsc1 129294828 343847748 /nfs/dbraw/zinc/84/77/48/343847748.db2.gz GKVBSRYFVODASD-QNSHHTMESA-N 0 3 197.303 2.173 10 0 AEAEHN N[C@@H](c1ncc[nH]1)C1CCCCCC1 129556040 343852580 /nfs/dbraw/zinc/85/25/80/343852580.db2.gz RTPURIGGVLDAFX-SNVBAGLBSA-N 0 3 193.294 2.380 10 0 AEAEHN N[C@H](c1ncc[nH]1)C1CCCCCC1 129556282 343852623 /nfs/dbraw/zinc/85/26/23/343852623.db2.gz RTPURIGGVLDAFX-JTQLQIEISA-N 0 3 193.294 2.380 10 0 AEAEHN C[C@@H]1CC[C@H](Nc2nccn2C)C1 129627436 343854162 /nfs/dbraw/zinc/85/41/62/343854162.db2.gz SCEIAHSJQHTEFF-BDAKNGLRSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@H]1CC[C@H](Nc2nccn2C)C1 129627656 343854339 /nfs/dbraw/zinc/85/43/39/343854339.db2.gz SCEIAHSJQHTEFF-IUCAKERBSA-N 0 3 179.267 2.021 10 0 AEAEHN CC1(C)CC[C@@H](NC2=NCCS2)C1 129762436 343855979 /nfs/dbraw/zinc/85/59/79/343855979.db2.gz MJCZHWALCRTYTP-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H]1CC[C@@H](NC2=N[C@H](C)CS2)C1 129736914 343856083 /nfs/dbraw/zinc/85/60/83/343856083.db2.gz KRJASZISYIYQPI-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CC[C@H](NC2=N[C@H](C)CS2)C1 129736381 343856244 /nfs/dbraw/zinc/85/62/44/343856244.db2.gz KRJASZISYIYQPI-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN Fc1ccc([C@@H]2CCCCCN2)nc1 129953097 343859343 /nfs/dbraw/zinc/85/93/43/343859343.db2.gz OOCLEKLORHRZPV-JTQLQIEISA-N 0 3 194.253 2.425 10 0 AEAEHN Fc1ccc([C@H]2CCCCCN2)nc1 129953322 343859561 /nfs/dbraw/zinc/85/95/61/343859561.db2.gz OOCLEKLORHRZPV-SNVBAGLBSA-N 0 3 194.253 2.425 10 0 AEAEHN C[C@H]1CN(CCC(C)(C)C)CCC1=O 130066059 343861114 /nfs/dbraw/zinc/86/11/14/343861114.db2.gz ZPKQMBGIKSHGHW-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCC(C)(C)n1cncc1[C@@H](C)N 130061559 343861123 /nfs/dbraw/zinc/86/11/23/343861123.db2.gz YMLLYPCNIVIDTL-MRVPVSSYSA-N 0 3 181.283 2.048 10 0 AEAEHN C[C@@H](N)c1cncn1C1CCCC1 130048642 343861227 /nfs/dbraw/zinc/86/12/27/343861227.db2.gz FFUKIJRFWIEBIF-MRVPVSSYSA-N 0 3 179.267 2.018 10 0 AEAEHN C[C@H](N)c1cncn1C1CCCCC1 130063249 343861253 /nfs/dbraw/zinc/86/12/53/343861253.db2.gz KNQSHPMGTAJDFT-VIFPVBQESA-N 0 3 193.294 2.408 10 0 AEAEHN C[C@@H](N)c1cncn1C1CCCCC1 130064174 343861432 /nfs/dbraw/zinc/86/14/32/343861432.db2.gz KNQSHPMGTAJDFT-SECBINFHSA-N 0 3 193.294 2.408 10 0 AEAEHN C[C@H](N)c1cncn1C1CCCC1 130047199 343861515 /nfs/dbraw/zinc/86/15/15/343861515.db2.gz FFUKIJRFWIEBIF-QMMMGPOBSA-N 0 3 179.267 2.018 10 0 AEAEHN C[C@@H]1CN(CCC(C)(C)C)CCC1=O 130065822 343861520 /nfs/dbraw/zinc/86/15/20/343861520.db2.gz ZPKQMBGIKSHGHW-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@H](N)c1cncn1[C@@H]1CCC[C@@H]1C 130404491 343867850 /nfs/dbraw/zinc/86/78/50/343867850.db2.gz DUMWSBZSHRUNBG-LPEHRKFASA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@H](N)c1cncn1[C@H]1CCC[C@@H]1C 130404030 343867997 /nfs/dbraw/zinc/86/79/97/343867997.db2.gz DUMWSBZSHRUNBG-GUBZILKMSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@H](N)c1cncn1[C@@H]1CCC[C@H]1C 130404260 343868033 /nfs/dbraw/zinc/86/80/33/343868033.db2.gz DUMWSBZSHRUNBG-KXUCPTDWSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@@H](N)c1cncn1C1(C)CCCC1 130445745 343868690 /nfs/dbraw/zinc/86/86/90/343868690.db2.gz OYJFVQVRXABBHY-SECBINFHSA-N 0 3 193.294 2.192 10 0 AEAEHN CCC1(n2cncc2[C@@H](C)N)CCC1 130607187 343871065 /nfs/dbraw/zinc/87/10/65/343871065.db2.gz FMOMLMTVMBHBMD-SECBINFHSA-N 0 3 193.294 2.192 10 0 AEAEHN C[C@H](N)c1cncn1[C@H]1CC[C@@H](C)C1 130699000 343873415 /nfs/dbraw/zinc/87/34/15/343873415.db2.gz BZWCIGHOQVCKGI-UTLUCORTSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@@H]1CC[C@@H](n2cncc2[C@@H](C)N)C1 130702761 343873460 /nfs/dbraw/zinc/87/34/60/343873460.db2.gz BZWCIGHOQVCKGI-OPRDCNLKSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@@H]1CC[C@H](n2cncc2[C@@H](C)N)C1 130702383 343873479 /nfs/dbraw/zinc/87/34/79/343873479.db2.gz BZWCIGHOQVCKGI-BBBLOLIVSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@H](N)c1cncn1[C@@H]1CC[C@@H](C)C1 130699445 343873541 /nfs/dbraw/zinc/87/35/41/343873541.db2.gz BZWCIGHOQVCKGI-KXUCPTDWSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@H](N)c1cncn1[C@@H](C)C1CCC1 130739339 343873903 /nfs/dbraw/zinc/87/39/03/343873903.db2.gz UHSRVHLUIORKEX-IUCAKERBSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@H](N)c1cncn1[C@H](C)C1CCC1 130739573 343874070 /nfs/dbraw/zinc/87/40/70/343874070.db2.gz UHSRVHLUIORKEX-DTWKUNHWSA-N 0 3 193.294 2.264 10 0 AEAEHN CNC(C)(C)c1cncn1C1CCC1 130765474 343874542 /nfs/dbraw/zinc/87/45/42/343874542.db2.gz WUSZWANBKUJPEN-UHFFFAOYSA-N 0 3 193.294 2.063 10 0 AEAEHN C[C@@H](C1CCC1)n1cncc1[C@@H](C)N 130741950 343874751 /nfs/dbraw/zinc/87/47/51/343874751.db2.gz UHSRVHLUIORKEX-BDAKNGLRSA-N 0 3 193.294 2.264 10 0 AEAEHN CC[C@@H]1C[C@H](N)c2cc(F)ccc2O1 130794386 343875050 /nfs/dbraw/zinc/87/50/50/343875050.db2.gz ZLBZKXQVQYBJDU-SCZZXKLOSA-N 0 3 195.237 2.387 10 0 AEAEHN CC[C@H]1C[C@H](N)c2cc(F)ccc2O1 130794623 343875207 /nfs/dbraw/zinc/87/52/07/343875207.db2.gz ZLBZKXQVQYBJDU-WPRPVWTQSA-N 0 3 195.237 2.387 10 0 AEAEHN CC[C@H]1C[C@@H](N)c2cc(F)ccc2O1 130795020 343875643 /nfs/dbraw/zinc/87/56/43/343875643.db2.gz ZLBZKXQVQYBJDU-WCBMZHEXSA-N 0 3 195.237 2.387 10 0 AEAEHN CC[C@@H]1C[C@@H](N)c2cc(F)ccc2O1 130794814 343875897 /nfs/dbraw/zinc/87/58/97/343875897.db2.gz ZLBZKXQVQYBJDU-PSASIEDQSA-N 0 3 195.237 2.387 10 0 AEAEHN c1cc(NCc2ccoc2)ccn1 130823745 343875973 /nfs/dbraw/zinc/87/59/73/343875973.db2.gz LRQVCFALPAXWLP-UHFFFAOYSA-N 0 3 174.203 2.287 10 0 AEAEHN CC[C@@H]1C[C@@H](N)c2ccc(F)cc2O1 130891868 343876971 /nfs/dbraw/zinc/87/69/71/343876971.db2.gz GBHVITDUEYORRO-PSASIEDQSA-N 0 3 195.237 2.387 10 0 AEAEHN CC[C@H]1C[C@@H](N)c2ccc(F)cc2O1 130892094 343877079 /nfs/dbraw/zinc/87/70/79/343877079.db2.gz GBHVITDUEYORRO-WCBMZHEXSA-N 0 3 195.237 2.387 10 0 AEAEHN CN[C@@H]1C[C@@H](C)Oc2cc(F)ccc21 130976519 343878163 /nfs/dbraw/zinc/87/81/63/343878163.db2.gz XCRMPYOWQREJGE-GMSGAONNSA-N 0 3 195.237 2.257 10 0 AEAEHN CN[C@H]1C[C@@H](C)Oc2cc(F)ccc21 130976173 343878307 /nfs/dbraw/zinc/87/83/07/343878307.db2.gz XCRMPYOWQREJGE-XCBNKYQSSA-N 0 3 195.237 2.257 10 0 AEAEHN N[C@H](Cc1ccoc1)c1ccoc1 131232259 343882199 /nfs/dbraw/zinc/88/21/99/343882199.db2.gz PYRQJTWCIZUFPU-SNVBAGLBSA-N 0 3 177.203 2.115 10 0 AEAEHN N[C@@H](Cc1ccoc1)c1ccoc1 131232053 343882265 /nfs/dbraw/zinc/88/22/65/343882265.db2.gz PYRQJTWCIZUFPU-JTQLQIEISA-N 0 3 177.203 2.115 10 0 AEAEHN N[C@H](c1ncccc1F)C1CCCC1 131299657 343883463 /nfs/dbraw/zinc/88/34/63/343883463.db2.gz BFYZUIDBPVWIEF-JTQLQIEISA-N 0 3 194.253 2.411 10 0 AEAEHN N[C@@H](c1ncccc1F)C1CCCC1 131299452 343883561 /nfs/dbraw/zinc/88/35/61/343883561.db2.gz BFYZUIDBPVWIEF-SNVBAGLBSA-N 0 3 194.253 2.411 10 0 AEAEHN CC(C)(C)[C@H](N)c1ncccc1F 131361906 343884496 /nfs/dbraw/zinc/88/44/96/343884496.db2.gz FQVBLISKLSDNDV-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN N[C@@H](CC1CCC1)c1ncccc1F 131355288 343884598 /nfs/dbraw/zinc/88/45/98/343884598.db2.gz ZAZCVXVTSFTRQG-JTQLQIEISA-N 0 3 194.253 2.411 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ncccc1F 131362108 343884742 /nfs/dbraw/zinc/88/47/42/343884742.db2.gz FQVBLISKLSDNDV-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN N[C@H](CC1CCC1)c1ncccc1F 131355081 343884775 /nfs/dbraw/zinc/88/47/75/343884775.db2.gz ZAZCVXVTSFTRQG-SNVBAGLBSA-N 0 3 194.253 2.411 10 0 AEAEHN CN[C@H](c1ncccc1F)C(C)C 131479184 343885574 /nfs/dbraw/zinc/88/55/74/343885574.db2.gz FGIKIWNLAMOYCI-VIFPVBQESA-N 0 3 182.242 2.137 10 0 AEAEHN CN[C@@H](c1ncccc1F)C(C)C 131479386 343885613 /nfs/dbraw/zinc/88/56/13/343885613.db2.gz FGIKIWNLAMOYCI-SECBINFHSA-N 0 3 182.242 2.137 10 0 AEAEHN c1cc(NCc2cncs2)ccn1 131634929 343887066 /nfs/dbraw/zinc/88/70/66/343887066.db2.gz PRRVWFRBYIWGJF-UHFFFAOYSA-N 0 3 191.259 2.150 10 0 AEAEHN CC(C)N[C@H](C)c1cncs1 132008103 343892091 /nfs/dbraw/zinc/89/20/91/343892091.db2.gz RXPMATWQXLTBLT-SSDOTTSWSA-N 0 3 170.281 2.202 10 0 AEAEHN CC(C)N[C@@H](C)c1cncs1 132007942 343892214 /nfs/dbraw/zinc/89/22/14/343892214.db2.gz RXPMATWQXLTBLT-ZETCQYMHSA-N 0 3 170.281 2.202 10 0 AEAEHN NC[C@@H](F)c1cc2ccccc2o1 132107410 343894089 /nfs/dbraw/zinc/89/40/89/343894089.db2.gz MKTCTGOOSKDCER-MRVPVSSYSA-N 0 3 179.194 2.402 10 0 AEAEHN NC[C@H](F)c1cc2ccccc2o1 132107643 343894377 /nfs/dbraw/zinc/89/43/77/343894377.db2.gz MKTCTGOOSKDCER-QMMMGPOBSA-N 0 3 179.194 2.402 10 0 AEAEHN CC(C)c1cnc(C(C)(C)N)s1 132367085 343897312 /nfs/dbraw/zinc/89/73/12/343897312.db2.gz SFZJXADTQVBOJP-UHFFFAOYSA-N 0 3 184.308 2.460 10 0 AEAEHN Cc1cc(N)cn2c(C(C)C)cnc12 132387486 343897344 /nfs/dbraw/zinc/89/73/44/343897344.db2.gz MMACFHAJQGLXNM-UHFFFAOYSA-N 0 3 189.262 2.348 10 0 AEAEHN CC[C@H](NC)c1ccoc1C 132674493 343902397 /nfs/dbraw/zinc/90/23/97/343902397.db2.gz TUOPWSQPBNMSCD-VIFPVBQESA-N 0 3 153.225 2.259 10 0 AEAEHN CC[C@@H](NC)c1ccoc1C 132674725 343902661 /nfs/dbraw/zinc/90/26/61/343902661.db2.gz TUOPWSQPBNMSCD-SECBINFHSA-N 0 3 153.225 2.259 10 0 AEAEHN CCCc1cc(CN)cs1 132775555 343903630 /nfs/dbraw/zinc/90/36/30/343903630.db2.gz NXIJPBVICMKAAT-UHFFFAOYSA-N 0 3 155.266 2.159 10 0 AEAEHN Cc1scc(CN)c1C1CC1 132777082 343903636 /nfs/dbraw/zinc/90/36/36/343903636.db2.gz CYGHSFLGHZGYNH-UHFFFAOYSA-N 0 3 167.277 2.393 10 0 AEAEHN CC(C)c1cscc1CN 132780079 343903648 /nfs/dbraw/zinc/90/36/48/343903648.db2.gz WSNUVAQWDFJCCU-UHFFFAOYSA-N 0 3 155.266 2.330 10 0 AEAEHN CC1(C)CCc2scc(CN)c21 132778794 343903664 /nfs/dbraw/zinc/90/36/64/343903664.db2.gz XGZZFLNTMLJLLA-UHFFFAOYSA-N 0 3 181.304 2.431 10 0 AEAEHN CCc1scc(CN)c1C 132783174 343904201 /nfs/dbraw/zinc/90/42/01/343904201.db2.gz QKQPCKXZFMBMKZ-UHFFFAOYSA-N 0 3 155.266 2.078 10 0 AEAEHN NCc1cscc1C1CC1 132789818 343904170 /nfs/dbraw/zinc/90/41/70/343904170.db2.gz XZPOCGWKYRSXLH-UHFFFAOYSA-N 0 3 153.250 2.084 10 0 AEAEHN CC1(c2cscc2CN)CC1 132785709 343904189 /nfs/dbraw/zinc/90/41/89/343904189.db2.gz LLMDZMCNMOCTRM-UHFFFAOYSA-N 0 3 167.277 2.258 10 0 AEAEHN CC(C)Cc1cscc1CN 132784661 343904216 /nfs/dbraw/zinc/90/42/16/343904216.db2.gz DOXMCGIPPDNRSH-UHFFFAOYSA-N 0 3 169.293 2.405 10 0 AEAEHN C[C@H]1Cc2c(CN)csc2[C@H](C)O1 132786122 343904222 /nfs/dbraw/zinc/90/42/22/343904222.db2.gz YDPMXTPFYOCSMO-BQBZGAKWSA-N 0 3 197.303 2.229 10 0 AEAEHN C[C@@H]1CCc2scc(CN)c21 132782767 343904281 /nfs/dbraw/zinc/90/42/81/343904281.db2.gz UVBJLZFUBYSJMG-ZCFIWIBFSA-N 0 3 167.277 2.257 10 0 AEAEHN C[C@H]1Cc2c(CN)csc2[C@@H](C)O1 132786541 343904338 /nfs/dbraw/zinc/90/43/38/343904338.db2.gz YDPMXTPFYOCSMO-NKWVEPMBSA-N 0 3 197.303 2.229 10 0 AEAEHN C[C@H]1CCc2scc(CN)c21 132782967 343904343 /nfs/dbraw/zinc/90/43/43/343904343.db2.gz UVBJLZFUBYSJMG-LURJTMIESA-N 0 3 167.277 2.257 10 0 AEAEHN C[C@@H]1O[C@H](C)Cc2c(CN)csc21 132785910 343904360 /nfs/dbraw/zinc/90/43/60/343904360.db2.gz YDPMXTPFYOCSMO-RQJHMYQMSA-N 0 3 197.303 2.229 10 0 AEAEHN Cc1csc(Cl)c1CN 132804812 343904728 /nfs/dbraw/zinc/90/47/28/343904728.db2.gz VXWMETPREYVDGK-UHFFFAOYSA-N 0 3 161.657 2.169 10 0 AEAEHN CCc1cc(CN)c(Cl)s1 132806073 343904767 /nfs/dbraw/zinc/90/47/67/343904767.db2.gz PRGLNSSTXTZOKB-UHFFFAOYSA-N 0 3 175.684 2.423 10 0 AEAEHN NCc1c(Cl)sc2c1CCC2 132812000 343904836 /nfs/dbraw/zinc/90/48/36/343904836.db2.gz YKKMBCLEBMTGLJ-UHFFFAOYSA-N 0 3 187.695 2.349 10 0 AEAEHN Cc1sc(Cl)c(CN)c1C 132800939 343904839 /nfs/dbraw/zinc/90/48/39/343904839.db2.gz QTNWWXFRVKQJHW-UHFFFAOYSA-N 0 3 175.684 2.477 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccncc1C 132889883 343906517 /nfs/dbraw/zinc/90/65/17/343906517.db2.gz VLQBDABBLRYYEW-LLVKDONJSA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)=C[C@H](N)c1ccncc1C 132890103 343906750 /nfs/dbraw/zinc/90/67/50/343906750.db2.gz VLQBDABBLRYYEW-NSHDSACASA-N 0 3 176.263 2.356 10 0 AEAEHN Cc1cnccc1[C@H](N)c1ccoc1 132904137 343907243 /nfs/dbraw/zinc/90/72/43/343907243.db2.gz YMSKPVUWWKKIHD-LLVKDONJSA-N 0 3 188.230 2.031 10 0 AEAEHN Cc1cnccc1[C@@H](N)c1ccoc1 132904360 343907378 /nfs/dbraw/zinc/90/73/78/343907378.db2.gz YMSKPVUWWKKIHD-NSHDSACASA-N 0 3 188.230 2.031 10 0 AEAEHN CN1CCC(c2cscc2N)CC1 132970374 343908908 /nfs/dbraw/zinc/90/89/08/343908908.db2.gz ASDLJYYBMGEXAN-UHFFFAOYSA-N 0 3 196.319 2.140 10 0 AEAEHN C[C@H](CN1CCC(=O)C[C@H]1C)C1CC1 133098635 343911871 /nfs/dbraw/zinc/91/18/71/343911871.db2.gz AHKLKXISNOAGPC-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@H](NC)c1occc1C 133108811 343911924 /nfs/dbraw/zinc/91/19/24/343911924.db2.gz GMVDKRDPAIKGEW-QMMMGPOBSA-N 0 3 153.225 2.259 10 0 AEAEHN C[C@H](CN1CCC(=O)C[C@@H]1C)C1CC1 133098823 343912060 /nfs/dbraw/zinc/91/20/60/343912060.db2.gz AHKLKXISNOAGPC-ZJUUUORDSA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@@H](NC)c1occc1C 133109018 343912326 /nfs/dbraw/zinc/91/23/26/343912326.db2.gz GMVDKRDPAIKGEW-MRVPVSSYSA-N 0 3 153.225 2.259 10 0 AEAEHN C1=CCC(Nc2ccncc2)C1 133349957 343916971 /nfs/dbraw/zinc/91/69/71/343916971.db2.gz IKVDOZPPIDXUFM-UHFFFAOYSA-N 0 3 160.220 2.212 10 0 AEAEHN C[C@H]1CCSC(NC(C)(C)C)=N1 133405390 343918053 /nfs/dbraw/zinc/91/80/53/343918053.db2.gz CUGMKGCLLVNUKS-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN C[C@H]1CCSC(NC2CCCC2)=N1 133408688 343918125 /nfs/dbraw/zinc/91/81/25/343918125.db2.gz JUERSBSZXMCVMU-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@@H]1CCSC(NC(C)(C)C)=N1 133405211 343918198 /nfs/dbraw/zinc/91/81/98/343918198.db2.gz CUGMKGCLLVNUKS-SSDOTTSWSA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@H](C)NC1=N[C@@H](C)CCS1 133407450 343918323 /nfs/dbraw/zinc/91/83/23/343918323.db2.gz PNWNCPHKWFFMPC-YUMQZZPRSA-N 0 3 186.324 2.256 10 0 AEAEHN C[C@@H]1CCSC(NC2CCCC2)=N1 133408522 343918363 /nfs/dbraw/zinc/91/83/63/343918363.db2.gz JUERSBSZXMCVMU-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@H](C)NC1=N[C@H](C)CCS1 133406978 343918453 /nfs/dbraw/zinc/91/84/53/343918453.db2.gz PNWNCPHKWFFMPC-JGVFFNPUSA-N 0 3 186.324 2.256 10 0 AEAEHN C[C@@H]1CSC(NC[C@H](C)C2CC2)=N1 133442136 343918940 /nfs/dbraw/zinc/91/89/40/343918940.db2.gz PEOFIQNUOMHVKP-JGVFFNPUSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H](NC1=N[C@H](C)CCS1)C1CC1 133499298 343920312 /nfs/dbraw/zinc/92/03/12/343920312.db2.gz WXTMNCFUVKFKLN-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CCSC(N[C@@H](C)C2CC2)=N1 133499453 343920336 /nfs/dbraw/zinc/92/03/36/343920336.db2.gz WXTMNCFUVKFKLN-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCSC(N[C@H](C)C2CC2)=N1 133499647 343920370 /nfs/dbraw/zinc/92/03/70/343920370.db2.gz WXTMNCFUVKFKLN-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CCSC(N[C@H](C)C2CC2)=N1 133499852 343920562 /nfs/dbraw/zinc/92/05/62/343920562.db2.gz WXTMNCFUVKFKLN-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)C[C@H](N)c1ccncc1F 133548853 343922117 /nfs/dbraw/zinc/92/21/17/343922117.db2.gz WAITXELSVWYOEY-JTQLQIEISA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccncc1F 133557034 343922166 /nfs/dbraw/zinc/92/21/66/343922166.db2.gz CTELSLYPDLTUOI-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccncc1F 133556823 343922260 /nfs/dbraw/zinc/92/22/60/343922260.db2.gz CTELSLYPDLTUOI-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN CN[C@@H](c1ccncc1F)C(C)C 133564340 343922595 /nfs/dbraw/zinc/92/25/95/343922595.db2.gz OMBSRLPNHTUXHP-SNVBAGLBSA-N 0 3 182.242 2.137 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ccncc1F 133562853 343922715 /nfs/dbraw/zinc/92/27/15/343922715.db2.gz KMCGVSCXKBBFSY-GMSGAONNSA-N 0 3 182.242 2.267 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ccncc1F 133563064 343922749 /nfs/dbraw/zinc/92/27/49/343922749.db2.gz KMCGVSCXKBBFSY-OIBJUYFYSA-N 0 3 182.242 2.267 10 0 AEAEHN COC1([C@H](N)c2ccccc2)CCC1 133617507 343922928 /nfs/dbraw/zinc/92/29/28/343922928.db2.gz DZOGJGHTQZJOQY-LLVKDONJSA-N 0 3 191.274 2.256 10 0 AEAEHN C[C@H]1CCSC(N[C@H]2CC2(C)C)=N1 133596452 343923153 /nfs/dbraw/zinc/92/31/53/343923153.db2.gz MQRYIWVOYWTZAN-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCSC(NC2CCC2)=N1 133618290 343923250 /nfs/dbraw/zinc/92/32/50/343923250.db2.gz VZQMYJQVPKQTGB-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN COC1([C@@H](N)c2ccccc2)CCC1 133617723 343923262 /nfs/dbraw/zinc/92/32/62/343923262.db2.gz DZOGJGHTQZJOQY-NSHDSACASA-N 0 3 191.274 2.256 10 0 AEAEHN C[C@H]1CCSC(N[C@@H]2CC2(C)C)=N1 133596048 343923296 /nfs/dbraw/zinc/92/32/96/343923296.db2.gz MQRYIWVOYWTZAN-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCSC(N[C@H]2CC2(C)C)=N1 133596250 343923303 /nfs/dbraw/zinc/92/33/03/343923303.db2.gz MQRYIWVOYWTZAN-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN NC[C@@](F)(c1ccccc1)C1CC1 133909476 343929196 /nfs/dbraw/zinc/92/91/96/343929196.db2.gz YBWJGJUJMZBTCW-LLVKDONJSA-N 0 3 179.238 2.220 10 0 AEAEHN Cc1nc(OC(C)(C)C)ccc1CN 134025654 343931690 /nfs/dbraw/zinc/93/16/90/343931690.db2.gz AQNXRMCFUGNWQU-UHFFFAOYSA-N 0 3 194.278 2.026 10 0 AEAEHN CCc1cccnc1[C@@]1(N)C[C@@H]1CC 134624902 343947332 /nfs/dbraw/zinc/94/73/32/343947332.db2.gz JFGZIDWZJIHHFR-CMPLNLGQSA-N 0 3 190.290 2.228 10 0 AEAEHN CCc1cccnc1[C@]1(N)C[C@@H]1CC 134624881 343947500 /nfs/dbraw/zinc/94/75/00/343947500.db2.gz JFGZIDWZJIHHFR-JQWIXIFHSA-N 0 3 190.290 2.228 10 0 AEAEHN CCc1cccnc1[C@]1(N)C[C@H]1CC 134624922 343947530 /nfs/dbraw/zinc/94/75/30/343947530.db2.gz JFGZIDWZJIHHFR-PWSUYJOCSA-N 0 3 190.290 2.228 10 0 AEAEHN [O-]c1ccc(C[NH2+]C2CCC2)cc1F 134686877 343948501 /nfs/dbraw/zinc/94/85/01/343948501.db2.gz VONYPCXPBXKNFD-UHFFFAOYSA-N 0 3 195.237 2.173 10 0 AEAEHN Cc1ccnc(OC(C)(C)C)c1CN 135036696 343953341 /nfs/dbraw/zinc/95/33/41/343953341.db2.gz FCMAVUPGOMYUDI-UHFFFAOYSA-N 0 3 194.278 2.026 10 0 AEAEHN CNCc1cc(F)c(Cl)cc1F 135046354 343953975 /nfs/dbraw/zinc/95/39/75/343953975.db2.gz GRAMAEYUBBLEFA-UHFFFAOYSA-N 0 3 191.608 2.338 10 0 AEAEHN CCC[C@@H](N)c1scnc1C 135173959 343956593 /nfs/dbraw/zinc/95/65/93/343956593.db2.gz ZUOKLRMKYAQMDJ-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@H](N)c1scnc1C 135173942 343956767 /nfs/dbraw/zinc/95/67/67/343956767.db2.gz ZUOKLRMKYAQMDJ-ZETCQYMHSA-N 0 3 170.281 2.251 10 0 AEAEHN Cc1ccnc(SC(C)C)c1CN 135193077 343957064 /nfs/dbraw/zinc/95/70/64/343957064.db2.gz GNJFKIQYBVTSHP-UHFFFAOYSA-N 0 3 196.319 2.349 10 0 AEAEHN Cc1ncsc1[C@H](N)CC(C)C 135280550 343957861 /nfs/dbraw/zinc/95/78/61/343957861.db2.gz DMOCLOPUCXAXOZ-MRVPVSSYSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1ccncc1CN[C@@H]1CC1(C)C 135457886 343963627 /nfs/dbraw/zinc/96/36/27/343963627.db2.gz CDXAQOARCWANCK-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN CC(C)(C)Sc1cnccc1CN 135793918 343967781 /nfs/dbraw/zinc/96/77/81/343967781.db2.gz GHVKQKCAFIXSDV-UHFFFAOYSA-N 0 3 196.319 2.431 10 0 AEAEHN N[C@H](CC1CCC1)c1ccncc1F 135845208 343968889 /nfs/dbraw/zinc/96/88/89/343968889.db2.gz QMAZDPYMYURXLE-LLVKDONJSA-N 0 3 194.253 2.411 10 0 AEAEHN N[C@@H](CC1CCC1)c1ccncc1F 135845239 343968965 /nfs/dbraw/zinc/96/89/65/343968965.db2.gz QMAZDPYMYURXLE-NSHDSACASA-N 0 3 194.253 2.411 10 0 AEAEHN CC(C)=C[C@H](N)c1ccncc1F 135841580 343969003 /nfs/dbraw/zinc/96/90/03/343969003.db2.gz PVDZYCHXXPAHMI-JTQLQIEISA-N 0 3 180.226 2.187 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccncc1F 135841608 343969062 /nfs/dbraw/zinc/96/90/62/343969062.db2.gz PVDZYCHXXPAHMI-SNVBAGLBSA-N 0 3 180.226 2.187 10 0 AEAEHN C[C@@H]1CN[C@H](c2cccs2)CCO1 135880108 343969678 /nfs/dbraw/zinc/96/96/78/343969678.db2.gz JNONBASXQZPEIF-BDAKNGLRSA-N 0 3 197.303 2.188 10 0 AEAEHN C[C@H]1CN[C@H](c2cccs2)CCO1 135880154 343969705 /nfs/dbraw/zinc/96/97/05/343969705.db2.gz JNONBASXQZPEIF-IUCAKERBSA-N 0 3 197.303 2.188 10 0 AEAEHN C[C@@H]1CN[C@@H](c2ccccc2)CCO1 135881477 343969758 /nfs/dbraw/zinc/96/97/58/343969758.db2.gz ORAXXSHANUPHRZ-ZYHUDNBSSA-N 0 3 191.274 2.126 10 0 AEAEHN C[C@@H]1CN[C@H](c2ccccc2)CCO1 135881406 343969795 /nfs/dbraw/zinc/96/97/95/343969795.db2.gz ORAXXSHANUPHRZ-PWSUYJOCSA-N 0 3 191.274 2.126 10 0 AEAEHN C[C@H]1CN[C@@H](c2cccs2)CCO1 135880220 343969823 /nfs/dbraw/zinc/96/98/23/343969823.db2.gz JNONBASXQZPEIF-DTWKUNHWSA-N 0 3 197.303 2.188 10 0 AEAEHN C[C@@H]1CN[C@@H](c2cccs2)CCO1 135880183 343969846 /nfs/dbraw/zinc/96/98/46/343969846.db2.gz JNONBASXQZPEIF-RKDXNWHRSA-N 0 3 197.303 2.188 10 0 AEAEHN C[C@H]1CN[C@H](c2ccccc2)CCO1 135881444 343969939 /nfs/dbraw/zinc/96/99/39/343969939.db2.gz ORAXXSHANUPHRZ-JQWIXIFHSA-N 0 3 191.274 2.126 10 0 AEAEHN C[C@H]1CN[C@@H](c2ccccc2)CCO1 135881507 343970008 /nfs/dbraw/zinc/97/00/08/343970008.db2.gz ORAXXSHANUPHRZ-CMPLNLGQSA-N 0 3 191.274 2.126 10 0 AEAEHN CCCc1nc2n(c1CC)CCCN2 135885221 343970328 /nfs/dbraw/zinc/97/03/28/343970328.db2.gz LMRPLWRCTKGKCZ-UHFFFAOYSA-N 0 3 193.294 2.214 10 0 AEAEHN Cc1c(C(C)C)nc2n1CCCN2 135885636 343970384 /nfs/dbraw/zinc/97/03/84/343970384.db2.gz AUZZJXKRXSNSBS-UHFFFAOYSA-N 0 3 179.267 2.131 10 0 AEAEHN Cc1nc2n(c1C)[C@@H](C)C[C@H](C)N2 135902109 343970821 /nfs/dbraw/zinc/97/08/21/343970821.db2.gz XZBDKKJKEJWZKU-BQBZGAKWSA-N 0 3 179.267 2.265 10 0 AEAEHN Cc1nc2n(c1C)[C@H](C)C[C@H](C)N2 135902178 343970871 /nfs/dbraw/zinc/97/08/71/343970871.db2.gz XZBDKKJKEJWZKU-NKWVEPMBSA-N 0 3 179.267 2.265 10 0 AEAEHN Cc1nc2n(c1C)[C@@H](C)C[C@@H](C)N2 135902073 343970898 /nfs/dbraw/zinc/97/08/98/343970898.db2.gz XZBDKKJKEJWZKU-RQJHMYQMSA-N 0 3 179.267 2.265 10 0 AEAEHN CCc1cnc2n1[C@H](C)C[C@@H](C)N2 135902000 343970947 /nfs/dbraw/zinc/97/09/47/343970947.db2.gz PYBCLTUBLXLWCC-HTQZYQBOSA-N 0 3 179.267 2.211 10 0 AEAEHN CCc1cnc2n1[C@H](C)C[C@H](C)N2 135901936 343970952 /nfs/dbraw/zinc/97/09/52/343970952.db2.gz PYBCLTUBLXLWCC-JGVFFNPUSA-N 0 3 179.267 2.211 10 0 AEAEHN CCc1cnc2n1[C@@H](C)C[C@@H](C)N2 135902028 343971155 /nfs/dbraw/zinc/97/11/55/343971155.db2.gz PYBCLTUBLXLWCC-SFYZADRCSA-N 0 3 179.267 2.211 10 0 AEAEHN Cc1nc2n(c1C)[C@H](C)C[C@@H](C)N2 135902144 343971211 /nfs/dbraw/zinc/97/12/11/343971211.db2.gz XZBDKKJKEJWZKU-RNFRBKRXSA-N 0 3 179.267 2.265 10 0 AEAEHN CCc1cnc2n1[C@@H](C)C[C@H](C)N2 135901966 343971231 /nfs/dbraw/zinc/97/12/31/343971231.db2.gz PYBCLTUBLXLWCC-YUMQZZPRSA-N 0 3 179.267 2.211 10 0 AEAEHN CCCC(C)(C)NCc1nccn1C 136360259 343980191 /nfs/dbraw/zinc/98/01/91/343980191.db2.gz WOHVTNDKOZPHGD-UHFFFAOYSA-N 0 3 195.310 2.088 10 0 AEAEHN Cc1ccc(CN2CCCCC2)cn1 138094951 343988125 /nfs/dbraw/zinc/98/81/25/343988125.db2.gz BACLYJPBPOIRQF-UHFFFAOYSA-N 0 3 190.290 2.376 10 0 AEAEHN Cc1cccc(CN2CCCCC2)n1 138095174 343988223 /nfs/dbraw/zinc/98/82/23/343988223.db2.gz BVKXAIYPKICNLQ-UHFFFAOYSA-N 0 3 190.290 2.376 10 0 AEAEHN CCCCCN1CCN(C(C)C)CC1 138852401 343991107 /nfs/dbraw/zinc/99/11/07/343991107.db2.gz FREVMTTYHMPVMT-UHFFFAOYSA-N 0 3 198.354 2.203 10 0 AEAEHN Cc1cc(Nn2cccc2)ccn1 141582200 344006716 /nfs/dbraw/zinc/00/67/16/344006716.db2.gz KFFUOZFGWKGRRL-UHFFFAOYSA-N 0 3 173.219 2.067 10 0 AEAEHN CCN(CC)Cc1cnc(C)s1 142217307 344010934 /nfs/dbraw/zinc/01/09/34/344010934.db2.gz DFETUPARRMINCE-UHFFFAOYSA-N 0 3 184.308 2.293 10 0 AEAEHN N=C(N)c1cc2cscc2s1 142248485 344011347 /nfs/dbraw/zinc/01/13/47/344011347.db2.gz PLLMOYPKYGATTN-UHFFFAOYSA-N 0 3 182.273 2.247 10 0 AEAEHN CC(=O)CCc1c[nH]c2ccncc12 142413848 344012370 /nfs/dbraw/zinc/01/23/70/344012370.db2.gz AJFWBQKKIISXNH-UHFFFAOYSA-N 0 3 188.230 2.085 10 0 AEAEHN CC(=O)CCc1cnc2cc[nH]cc1-2 142413848 344012372 /nfs/dbraw/zinc/01/23/72/344012372.db2.gz AJFWBQKKIISXNH-UHFFFAOYSA-N 0 3 188.230 2.085 10 0 AEAEHN Cc1ccoc1[C@@H](N)C(C)C 142648954 344014002 /nfs/dbraw/zinc/01/40/02/344014002.db2.gz JJCAKJPZKFPFSO-QMMMGPOBSA-N 0 3 153.225 2.244 10 0 AEAEHN Cc1ccoc1[C@H](N)C(C)C 142648757 344014034 /nfs/dbraw/zinc/01/40/34/344014034.db2.gz JJCAKJPZKFPFSO-MRVPVSSYSA-N 0 3 153.225 2.244 10 0 AEAEHN CCc1ccc(CN2CCC2)cc1 143287358 344018521 /nfs/dbraw/zinc/01/85/21/344018521.db2.gz CCVWUXIVTGJSBI-UHFFFAOYSA-N 0 3 175.275 2.455 10 0 AEAEHN CCSCCN1CC=CCC1 143758823 344021921 /nfs/dbraw/zinc/02/19/21/344021921.db2.gz BRLYSVNFNPKGQU-UHFFFAOYSA-N 0 3 171.309 2.001 10 0 AEAEHN CC1(C)CCN(c2ccncc2)C1 144152025 344024388 /nfs/dbraw/zinc/02/43/88/344024388.db2.gz IEWNTCYGBNSRHE-UHFFFAOYSA-N 0 3 176.263 2.318 10 0 AEAEHN CCN(C)Cc1cccc(F)c1 144176563 344024973 /nfs/dbraw/zinc/02/49/73/344024973.db2.gz AZFJUVUGFCHKPF-UHFFFAOYSA-N 0 3 167.227 2.277 10 0 AEAEHN CC(=O)CN1CCC[C@H]2CCCC[C@H]21 144692441 344028985 /nfs/dbraw/zinc/02/89/85/344028985.db2.gz MYXTXDGEBFZFKQ-VXGBXAGGSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(=O)CN1CCC[C@@H]2CCCC[C@H]21 144692212 344029038 /nfs/dbraw/zinc/02/90/38/344029038.db2.gz MYXTXDGEBFZFKQ-NWDGAFQWSA-N 0 3 195.306 2.230 10 0 AEAEHN NCc1cccc(C2CC2)c1F 145543366 344033972 /nfs/dbraw/zinc/03/39/72/344033972.db2.gz QGHQVTNVAAZINV-UHFFFAOYSA-N 0 3 165.211 2.162 10 0 AEAEHN CC1(C)N[C@H](c2ccccc2)CO1 145706918 344034961 /nfs/dbraw/zinc/03/49/61/344034961.db2.gz JWUVAPHBWUUXQE-JTQLQIEISA-N 0 3 177.247 2.084 10 0 AEAEHN CN[C@@H]1CCCCc2cccnc21 145903200 344036444 /nfs/dbraw/zinc/03/64/44/344036444.db2.gz GFUWGFQAWNECAP-SNVBAGLBSA-N 0 3 176.263 2.069 10 0 AEAEHN CN[C@H]1CCCCc2cccnc21 145903392 344036698 /nfs/dbraw/zinc/03/66/98/344036698.db2.gz GFUWGFQAWNECAP-JTQLQIEISA-N 0 3 176.263 2.069 10 0 AEAEHN Cc1cnccc1NN1CCCCC1 148237183 344051931 /nfs/dbraw/zinc/05/19/31/344051931.db2.gz YACBNWGRBYPJCV-UHFFFAOYSA-N 0 3 191.278 2.203 10 0 AEAEHN Cc1cc(C)cc(-c2c[nH]c(N)n2)c1 148720055 344057889 /nfs/dbraw/zinc/05/78/89/344057889.db2.gz WYAULAMCLYVOLX-UHFFFAOYSA-N 0 3 187.246 2.276 10 0 AEAEHN CSc1ccc(CN)c(F)c1 148735461 344058205 /nfs/dbraw/zinc/05/82/05/344058205.db2.gz OIEMGKDPZBUUHK-UHFFFAOYSA-N 0 3 171.240 2.006 10 0 AEAEHN C[C@@H](N)c1ccc(OC(C)(C)C)cn1 149066978 344061769 /nfs/dbraw/zinc/06/17/69/344061769.db2.gz LXVRMAKWEDQOAN-MRVPVSSYSA-N 0 3 194.278 2.279 10 0 AEAEHN C[C@H](N)c1ccc(OC(C)(C)C)cn1 149066823 344061825 /nfs/dbraw/zinc/06/18/25/344061825.db2.gz LXVRMAKWEDQOAN-QMMMGPOBSA-N 0 3 194.278 2.279 10 0 AEAEHN CCSc1ccc([C@@H](C)N)nc1 149304381 344063850 /nfs/dbraw/zinc/06/38/50/344063850.db2.gz ZSECYDPDJNRKNK-SSDOTTSWSA-N 0 3 182.292 2.213 10 0 AEAEHN CN[C@H](C)c1ccc(SC)cn1 149394697 344065363 /nfs/dbraw/zinc/06/53/63/344065363.db2.gz QMFBFRUALVYSPC-SSDOTTSWSA-N 0 3 182.292 2.084 10 0 AEAEHN CN[C@@H](C)c1ccc(SC)cn1 149394481 344065535 /nfs/dbraw/zinc/06/55/35/344065535.db2.gz QMFBFRUALVYSPC-ZETCQYMHSA-N 0 3 182.292 2.084 10 0 AEAEHN CC[C@@](F)(CN)c1ccsc1 156484213 344089024 /nfs/dbraw/zinc/08/90/24/344089024.db2.gz LKYBETWSRBKQBL-MRVPVSSYSA-N 0 3 173.256 2.282 10 0 AEAEHN CCOC(=N)N(C(C)C)C(C)C 149901231 344073294 /nfs/dbraw/zinc/07/32/94/344073294.db2.gz ZFNMXKNBXXWXKD-UHFFFAOYSA-N 0 3 172.272 2.076 10 0 AEAEHN CC(C)[C@@](C)(N)c1ccc(F)cn1 150161115 344077732 /nfs/dbraw/zinc/07/77/32/344077732.db2.gz UBBXRJFJRMGNHQ-SNVBAGLBSA-N 0 3 182.242 2.051 10 0 AEAEHN CC(C)C[C@](C)(N)c1ccc(F)cn1 150161338 344077742 /nfs/dbraw/zinc/07/77/42/344077742.db2.gz ZXQFSYXBGASHJK-NSHDSACASA-N 0 3 196.269 2.441 10 0 AEAEHN CC(C)[C@](C)(N)c1ccc(F)cn1 150160928 344077853 /nfs/dbraw/zinc/07/78/53/344077853.db2.gz UBBXRJFJRMGNHQ-JTQLQIEISA-N 0 3 182.242 2.051 10 0 AEAEHN CC(C)C[C@@](C)(N)c1ccc(F)cn1 150161540 344077967 /nfs/dbraw/zinc/07/79/67/344077967.db2.gz ZXQFSYXBGASHJK-LLVKDONJSA-N 0 3 196.269 2.441 10 0 AEAEHN CCC[C@](C)(N)c1ccc(F)cn1 150203670 344078328 /nfs/dbraw/zinc/07/83/28/344078328.db2.gz ANWDVPZYHIAZOB-JTQLQIEISA-N 0 3 182.242 2.195 10 0 AEAEHN CC[C@@H](C)[C@@](C)(N)c1ccc(F)cn1 150275862 344079049 /nfs/dbraw/zinc/07/90/49/344079049.db2.gz OEYKDBINQSVFAC-LDYMZIIASA-N 0 3 196.269 2.441 10 0 AEAEHN CC[C@H](C)[C@@](C)(N)c1ccc(F)cn1 150276091 344079087 /nfs/dbraw/zinc/07/90/87/344079087.db2.gz OEYKDBINQSVFAC-GZMMTYOYSA-N 0 3 196.269 2.441 10 0 AEAEHN CC[C@H](C)[C@](C)(N)c1ccc(F)cn1 150275662 344079213 /nfs/dbraw/zinc/07/92/13/344079213.db2.gz OEYKDBINQSVFAC-KWQFWETISA-N 0 3 196.269 2.441 10 0 AEAEHN CC[C@@H](C)[C@](C)(N)c1ccc(F)cn1 150275442 344079308 /nfs/dbraw/zinc/07/93/08/344079308.db2.gz OEYKDBINQSVFAC-KCJUWKMLSA-N 0 3 196.269 2.441 10 0 AEAEHN NC[C@@H](F)Cc1cccc(Cl)c1 156337035 344082922 /nfs/dbraw/zinc/08/29/22/344082922.db2.gz RRIDAHNQQYUXGD-VIFPVBQESA-N 0 3 187.645 2.179 10 0 AEAEHN Cc1ccc(F)cc1[C@H](F)CN 156337557 344082930 /nfs/dbraw/zinc/08/29/30/344082930.db2.gz LEQJUHYUCJMFIX-SECBINFHSA-N 0 3 171.190 2.103 10 0 AEAEHN NC[C@@H](F)Cc1ccc(Cl)s1 156352641 344082974 /nfs/dbraw/zinc/08/29/74/344082974.db2.gz VDEOWMQOPINFEK-YFKPBYRVSA-N 0 3 193.674 2.241 10 0 AEAEHN NC[C@H](F)Cc1ccccc1Cl 156352012 344082996 /nfs/dbraw/zinc/08/29/96/344082996.db2.gz QJDHTWMYKGQCRK-MRVPVSSYSA-N 0 3 187.645 2.179 10 0 AEAEHN CC1CCC([C@@H](F)CN)CC1 156339947 344083091 /nfs/dbraw/zinc/08/30/91/344083091.db2.gz RWWNFWKMWRPXMS-HACHORDNSA-N 0 3 159.248 2.110 10 0 AEAEHN CC[C@@H]1CCCC[C@@H]1[C@H](F)CN 156345480 344083152 /nfs/dbraw/zinc/08/31/52/344083152.db2.gz AQUVGPUSYXPDBX-KXUCPTDWSA-N 0 3 173.275 2.500 10 0 AEAEHN CC[C@@H]1CCCC[C@H]1[C@H](F)CN 156345721 344083160 /nfs/dbraw/zinc/08/31/60/344083160.db2.gz AQUVGPUSYXPDBX-OPRDCNLKSA-N 0 3 173.275 2.500 10 0 AEAEHN NC[C@H](F)Cc1ccc(Cl)s1 156352762 344083202 /nfs/dbraw/zinc/08/32/02/344083202.db2.gz VDEOWMQOPINFEK-RXMQYKEDSA-N 0 3 193.674 2.241 10 0 AEAEHN NC[C@H](F)Cc1cccc(Cl)c1 156337160 344083253 /nfs/dbraw/zinc/08/32/53/344083253.db2.gz RRIDAHNQQYUXGD-SECBINFHSA-N 0 3 187.645 2.179 10 0 AEAEHN CC1CCC([C@H](F)CN)CC1 156339827 344083298 /nfs/dbraw/zinc/08/32/98/344083298.db2.gz RWWNFWKMWRPXMS-AMDVSUOASA-N 0 3 159.248 2.110 10 0 AEAEHN C[C@H]1C[C@@H]([C@H](F)CN)CC[C@H]1C 156341095 344083333 /nfs/dbraw/zinc/08/33/33/344083333.db2.gz CRZKZJUFEJQUDC-XFWSIPNHSA-N 0 3 173.275 2.356 10 0 AEAEHN Cc1ccc(F)cc1[C@@H](F)CN 156337676 344083392 /nfs/dbraw/zinc/08/33/92/344083392.db2.gz LEQJUHYUCJMFIX-VIFPVBQESA-N 0 3 171.190 2.103 10 0 AEAEHN NC[C@@H](F)Cc1ccccc1Cl 156351886 344083396 /nfs/dbraw/zinc/08/33/96/344083396.db2.gz QJDHTWMYKGQCRK-QMMMGPOBSA-N 0 3 187.645 2.179 10 0 AEAEHN NC[C@H](F)Cc1ccc(Cl)cc1 156346342 344083442 /nfs/dbraw/zinc/08/34/42/344083442.db2.gz CRSJRSBDBSHGKH-SECBINFHSA-N 0 3 187.645 2.179 10 0 AEAEHN NC[C@@H](F)Cc1ccc(Cl)cc1 156346215 344083456 /nfs/dbraw/zinc/08/34/56/344083456.db2.gz CRSJRSBDBSHGKH-VIFPVBQESA-N 0 3 187.645 2.179 10 0 AEAEHN Cc1cc([C@H](F)CN)cs1 156371945 344083594 /nfs/dbraw/zinc/08/35/94/344083594.db2.gz NDLWJIIWYBTKMJ-SSDOTTSWSA-N 0 3 159.229 2.026 10 0 AEAEHN C[C@H]1CC([C@H](F)CN)C[C@H](C)C1 156372450 344083605 /nfs/dbraw/zinc/08/36/05/344083605.db2.gz WXTRHRPGWJAQHO-NQMVMOMDSA-N 0 3 173.275 2.356 10 0 AEAEHN Cc1ccc(F)c([C@H](F)CN)c1 156354160 344083684 /nfs/dbraw/zinc/08/36/84/344083684.db2.gz XQBAFDUEACGHQN-SECBINFHSA-N 0 3 171.190 2.103 10 0 AEAEHN Cc1cc(F)cc([C@H](F)CN)c1 156369144 344083750 /nfs/dbraw/zinc/08/37/50/344083750.db2.gz JAEKJHZZABZGSB-SECBINFHSA-N 0 3 171.190 2.103 10 0 AEAEHN CCc1ccc([C@@H](F)CN)cc1 156357330 344083765 /nfs/dbraw/zinc/08/37/65/344083765.db2.gz REGUKYXTTKGMIF-JTQLQIEISA-N 0 3 167.227 2.218 10 0 AEAEHN Cc1cccc([C@H](F)CN)c1C 156357988 344083800 /nfs/dbraw/zinc/08/38/00/344083800.db2.gz INYLLXSSJANMAC-SNVBAGLBSA-N 0 3 167.227 2.273 10 0 AEAEHN Cc1cccc([C@@H](F)CN)c1C 156358111 344083816 /nfs/dbraw/zinc/08/38/16/344083816.db2.gz INYLLXSSJANMAC-JTQLQIEISA-N 0 3 167.227 2.273 10 0 AEAEHN Cc1ccc(F)c([C@@H](F)CN)c1 156354279 344083828 /nfs/dbraw/zinc/08/38/28/344083828.db2.gz XQBAFDUEACGHQN-VIFPVBQESA-N 0 3 171.190 2.103 10 0 AEAEHN Cc1cc(F)ccc1[C@H](F)CN 156362753 344083842 /nfs/dbraw/zinc/08/38/42/344083842.db2.gz SAEUDFXPWVZHMK-SECBINFHSA-N 0 3 171.190 2.103 10 0 AEAEHN NC[C@@H](F)c1ccc(Cl)cc1F 156372589 344083861 /nfs/dbraw/zinc/08/38/61/344083861.db2.gz IPLOGFLPPBGUQP-MRVPVSSYSA-N 0 3 191.608 2.448 10 0 AEAEHN Cc1cc([C@@H](F)CN)cs1 156372066 344083912 /nfs/dbraw/zinc/08/39/12/344083912.db2.gz NDLWJIIWYBTKMJ-ZETCQYMHSA-N 0 3 159.229 2.026 10 0 AEAEHN CCC1CCC([C@H](F)CN)CC1 156367618 344083927 /nfs/dbraw/zinc/08/39/27/344083927.db2.gz IOTQPSWKMRWMHC-UDNWOFFPSA-N 0 3 173.275 2.500 10 0 AEAEHN Cc1cc(F)cc([C@@H](F)CN)c1 156369280 344083946 /nfs/dbraw/zinc/08/39/46/344083946.db2.gz JAEKJHZZABZGSB-VIFPVBQESA-N 0 3 171.190 2.103 10 0 AEAEHN Cc1cc(F)ccc1[C@@H](F)CN 156362832 344083953 /nfs/dbraw/zinc/08/39/53/344083953.db2.gz SAEUDFXPWVZHMK-VIFPVBQESA-N 0 3 171.190 2.103 10 0 AEAEHN CC(C)CCC[C@H](F)CN 156373333 344083965 /nfs/dbraw/zinc/08/39/65/344083965.db2.gz QONLTVIEDNQVKZ-QMMMGPOBSA-N 0 3 147.237 2.110 10 0 AEAEHN C[C@@H]1CCC[C@@H]([C@H](F)CN)C1 156368391 344083973 /nfs/dbraw/zinc/08/39/73/344083973.db2.gz JTVPGLGXIUDTPH-IWSPIJDZSA-N 0 3 159.248 2.110 10 0 AEAEHN CCC1CCC([C@@H](F)CN)CC1 156367724 344083977 /nfs/dbraw/zinc/08/39/77/344083977.db2.gz IOTQPSWKMRWMHC-RTBKNWGFSA-N 0 3 173.275 2.500 10 0 AEAEHN CCc1cccc([C@@H](F)CN)c1 156365728 344083983 /nfs/dbraw/zinc/08/39/83/344083983.db2.gz AVQOXUBPSFTCIG-JTQLQIEISA-N 0 3 167.227 2.218 10 0 AEAEHN CCc1cccc([C@H](F)CN)c1 156365601 344084010 /nfs/dbraw/zinc/08/40/10/344084010.db2.gz AVQOXUBPSFTCIG-SNVBAGLBSA-N 0 3 167.227 2.218 10 0 AEAEHN NC[C@H](F)C1CCCCCC1 156369003 344084036 /nfs/dbraw/zinc/08/40/36/344084036.db2.gz ASPJZKOAPWTIQK-VIFPVBQESA-N 0 3 159.248 2.254 10 0 AEAEHN CCc1ccc([C@H](F)CN)cc1 156357212 344084057 /nfs/dbraw/zinc/08/40/57/344084057.db2.gz REGUKYXTTKGMIF-SNVBAGLBSA-N 0 3 167.227 2.218 10 0 AEAEHN C[C@@H]1CCC[C@H]([C@H](F)CN)C1 156368142 344084074 /nfs/dbraw/zinc/08/40/74/344084074.db2.gz JTVPGLGXIUDTPH-HRDYMLBCSA-N 0 3 159.248 2.110 10 0 AEAEHN CC(C)CCC[C@@H](F)CN 156373454 344084159 /nfs/dbraw/zinc/08/41/59/344084159.db2.gz QONLTVIEDNQVKZ-MRVPVSSYSA-N 0 3 147.237 2.110 10 0 AEAEHN NC[C@@H](F)C1CCCCCC1 156368874 344084172 /nfs/dbraw/zinc/08/41/72/344084172.db2.gz ASPJZKOAPWTIQK-SECBINFHSA-N 0 3 159.248 2.254 10 0 AEAEHN F[C@]1(c2ccsc2)CCCNC1 156376877 344084509 /nfs/dbraw/zinc/08/45/09/344084509.db2.gz ABJWBMUZZICBPV-SECBINFHSA-N 0 3 185.267 2.296 10 0 AEAEHN F[C@@]1(c2ccsc2)CCCNC1 156376748 344084574 /nfs/dbraw/zinc/08/45/74/344084574.db2.gz ABJWBMUZZICBPV-VIFPVBQESA-N 0 3 185.267 2.296 10 0 AEAEHN CC(C)=C[C@]1(F)CCCNC1 156376182 344084679 /nfs/dbraw/zinc/08/46/79/344084679.db2.gz AGBSLIXKTYVGQN-SECBINFHSA-N 0 3 157.232 2.044 10 0 AEAEHN CCCC[C@@]1(F)CCCNC1 156374001 344084798 /nfs/dbraw/zinc/08/47/98/344084798.db2.gz USONIVJTIVEPLT-SECBINFHSA-N 0 3 159.248 2.268 10 0 AEAEHN CC(C)=C[C@@]1(F)CCCNC1 156376308 344084843 /nfs/dbraw/zinc/08/48/43/344084843.db2.gz AGBSLIXKTYVGQN-VIFPVBQESA-N 0 3 157.232 2.044 10 0 AEAEHN CCCC[C@]1(F)CCCNC1 156373874 344084868 /nfs/dbraw/zinc/08/48/68/344084868.db2.gz USONIVJTIVEPLT-VIFPVBQESA-N 0 3 159.248 2.268 10 0 AEAEHN Cc1cccc([C@@](C)(F)CN)c1 156435336 344086586 /nfs/dbraw/zinc/08/65/86/344086586.db2.gz ZMFWGNMRDAKJRL-JTQLQIEISA-N 0 3 167.227 2.138 10 0 AEAEHN Cc1ccccc1[C@@](C)(F)CN 156437708 344086589 /nfs/dbraw/zinc/08/65/89/344086589.db2.gz SJVSBWMQOVVRLP-JTQLQIEISA-N 0 3 167.227 2.138 10 0 AEAEHN CC1CCC([C@@](C)(F)CN)CC1 156434053 344086601 /nfs/dbraw/zinc/08/66/01/344086601.db2.gz LFTGPWDDLXCPEA-RTBKNWGFSA-N 0 3 173.275 2.500 10 0 AEAEHN C[C@](F)(CN)CC1CCCC1 156433376 344086620 /nfs/dbraw/zinc/08/66/20/344086620.db2.gz AVJLOGUYXLAWSL-SECBINFHSA-N 0 3 159.248 2.254 10 0 AEAEHN CCCCC[C@](C)(F)CN 156434705 344086648 /nfs/dbraw/zinc/08/66/48/344086648.db2.gz JMDRASVOJJDWLV-QMMMGPOBSA-N 0 3 147.237 2.254 10 0 AEAEHN C[C@](F)(CN)c1ccccc1Cl 156438269 344086769 /nfs/dbraw/zinc/08/67/69/344086769.db2.gz VCXJJCBEENGPMI-VIFPVBQESA-N 0 3 187.645 2.483 10 0 AEAEHN CC1CCC([C@](C)(F)CN)CC1 156433922 344086840 /nfs/dbraw/zinc/08/68/40/344086840.db2.gz LFTGPWDDLXCPEA-UDNWOFFPSA-N 0 3 173.275 2.500 10 0 AEAEHN C[C@@](F)(CN)CC1CCCC1 156433500 344086866 /nfs/dbraw/zinc/08/68/66/344086866.db2.gz AVJLOGUYXLAWSL-VIFPVBQESA-N 0 3 159.248 2.254 10 0 AEAEHN CCCCC[C@@](C)(F)CN 156434836 344086929 /nfs/dbraw/zinc/08/69/29/344086929.db2.gz JMDRASVOJJDWLV-MRVPVSSYSA-N 0 3 147.237 2.254 10 0 AEAEHN Cc1cccc([C@](C)(F)CN)c1 156435219 344086962 /nfs/dbraw/zinc/08/69/62/344086962.db2.gz ZMFWGNMRDAKJRL-SNVBAGLBSA-N 0 3 167.227 2.138 10 0 AEAEHN C[C@@](F)(CN)c1ccccc1Cl 156438147 344087009 /nfs/dbraw/zinc/08/70/09/344087009.db2.gz VCXJJCBEENGPMI-SECBINFHSA-N 0 3 187.645 2.483 10 0 AEAEHN Cc1ccccc1[C@](C)(F)CN 156437585 344087019 /nfs/dbraw/zinc/08/70/19/344087019.db2.gz SJVSBWMQOVVRLP-SNVBAGLBSA-N 0 3 167.227 2.138 10 0 AEAEHN Cc1cc([C@](C)(F)CN)cs1 156453297 344087455 /nfs/dbraw/zinc/08/74/55/344087455.db2.gz LHRCNYQXSSIRDE-MRVPVSSYSA-N 0 3 173.256 2.200 10 0 AEAEHN C[C@@H]1CCC[C@@H]([C@](C)(F)CN)C1 156450755 344087317 /nfs/dbraw/zinc/08/73/17/344087317.db2.gz CGTXDAKYETZZTA-OPRDCNLKSA-N 0 3 173.275 2.500 10 0 AEAEHN Cc1ccsc1[C@@](C)(F)CN 156443481 344087389 /nfs/dbraw/zinc/08/73/89/344087389.db2.gz YVTYOIDBYRUQTD-QMMMGPOBSA-N 0 3 173.256 2.200 10 0 AEAEHN C[C@@H]1CCC[C@H]([C@](C)(F)CN)C1 156450501 344087414 /nfs/dbraw/zinc/08/74/14/344087414.db2.gz CGTXDAKYETZZTA-KXUCPTDWSA-N 0 3 173.275 2.500 10 0 AEAEHN Cc1ccsc1[C@](C)(F)CN 156443361 344087434 /nfs/dbraw/zinc/08/74/34/344087434.db2.gz YVTYOIDBYRUQTD-MRVPVSSYSA-N 0 3 173.256 2.200 10 0 AEAEHN C[C@@](F)(CN)c1cccc(Cl)c1 156452103 344087446 /nfs/dbraw/zinc/08/74/46/344087446.db2.gz NQVMVXKOZOABGE-SECBINFHSA-N 0 3 187.645 2.483 10 0 AEAEHN Cc1cc([C@@](C)(F)CN)cs1 156453416 344087596 /nfs/dbraw/zinc/08/75/96/344087596.db2.gz LHRCNYQXSSIRDE-QMMMGPOBSA-N 0 3 173.256 2.200 10 0 AEAEHN C[C@](F)(CN)c1cccc(Cl)c1 156452199 344087679 /nfs/dbraw/zinc/08/76/79/344087679.db2.gz NQVMVXKOZOABGE-VIFPVBQESA-N 0 3 187.645 2.483 10 0 AEAEHN CC[C@@](F)(CN)c1cccs1 156490731 344088739 /nfs/dbraw/zinc/08/87/39/344088739.db2.gz UVHAVVYCZMGLAY-MRVPVSSYSA-N 0 3 173.256 2.282 10 0 AEAEHN CC[C@@](F)(C=C(C)C)CN 156482063 344088806 /nfs/dbraw/zinc/08/88/06/344088806.db2.gz MFBCSCPLWHCYGB-MRVPVSSYSA-N 0 3 145.221 2.030 10 0 AEAEHN CC[C@](F)(C=C(C)C)CN 156481934 344089043 /nfs/dbraw/zinc/08/90/43/344089043.db2.gz MFBCSCPLWHCYGB-QMMMGPOBSA-N 0 3 145.221 2.030 10 0 AEAEHN CC[C@](F)(CN)c1ccsc1 156484338 344089053 /nfs/dbraw/zinc/08/90/53/344089053.db2.gz LKYBETWSRBKQBL-QMMMGPOBSA-N 0 3 173.256 2.282 10 0 AEAEHN CC[C@@](F)(CN)C1CCCC1 156483221 344089061 /nfs/dbraw/zinc/08/90/61/344089061.db2.gz RQKWJNATZRNNCH-SECBINFHSA-N 0 3 159.248 2.254 10 0 AEAEHN CC[C@](F)(CN)C1CCCC1 156483344 344089106 /nfs/dbraw/zinc/08/91/06/344089106.db2.gz RQKWJNATZRNNCH-VIFPVBQESA-N 0 3 159.248 2.254 10 0 AEAEHN CC(C)[C@](F)(CN)c1ccco1 156503864 344089262 /nfs/dbraw/zinc/08/92/62/344089262.db2.gz WRXKZHYGHAWBGO-SECBINFHSA-N 0 3 171.215 2.059 10 0 AEAEHN CC(C)[C@@](F)(CN)c1ccco1 156503722 344089285 /nfs/dbraw/zinc/08/92/85/344089285.db2.gz WRXKZHYGHAWBGO-VIFPVBQESA-N 0 3 171.215 2.059 10 0 AEAEHN CC(C)[C@@](F)(CN)c1ccoc1 156497910 344089342 /nfs/dbraw/zinc/08/93/42/344089342.db2.gz XJSJLBJDGSMARF-VIFPVBQESA-N 0 3 171.215 2.059 10 0 AEAEHN CC(C)=C[C@](F)(CN)C(C)C 156499630 344089412 /nfs/dbraw/zinc/08/94/12/344089412.db2.gz UKTNZFNSVXCANW-VIFPVBQESA-N 0 3 159.248 2.276 10 0 AEAEHN NC[C@@](F)(C1CCCC1)C1CC1 156508084 344089500 /nfs/dbraw/zinc/08/95/00/344089500.db2.gz HRFCIDWREXYFPK-SNVBAGLBSA-N 0 3 171.259 2.254 10 0 AEAEHN NC[C@](F)(c1ccsc1)C1CC1 156508476 344089520 /nfs/dbraw/zinc/08/95/20/344089520.db2.gz WUKXNAOHZOAVAV-SECBINFHSA-N 0 3 185.267 2.282 10 0 AEAEHN CC(C)=C[C@@](F)(CN)C(C)C 156499764 344089618 /nfs/dbraw/zinc/08/96/18/344089618.db2.gz UKTNZFNSVXCANW-SECBINFHSA-N 0 3 159.248 2.276 10 0 AEAEHN NC[C@@](F)(c1ccsc1)C1CC1 156508610 344089638 /nfs/dbraw/zinc/08/96/38/344089638.db2.gz WUKXNAOHZOAVAV-VIFPVBQESA-N 0 3 185.267 2.282 10 0 AEAEHN CC(C)[C@@](F)(CN)C1CCCC1 156499915 344089646 /nfs/dbraw/zinc/08/96/46/344089646.db2.gz NWCSSMPBOPXVHP-JTQLQIEISA-N 0 3 173.275 2.500 10 0 AEAEHN NC[C@](F)(C1CCCC1)C1CC1 156507952 344089652 /nfs/dbraw/zinc/08/96/52/344089652.db2.gz HRFCIDWREXYFPK-JTQLQIEISA-N 0 3 171.259 2.254 10 0 AEAEHN CC(C)[C@@](F)(CN)C(C)(C)C 156493441 344089683 /nfs/dbraw/zinc/08/96/83/344089683.db2.gz FHZXHXXNNSEOAV-VIFPVBQESA-N 0 3 161.264 2.356 10 0 AEAEHN NC[C@](F)(c1cccs1)C1CC1 156512667 344089687 /nfs/dbraw/zinc/08/96/87/344089687.db2.gz DZHTUQQKHYZRBN-SECBINFHSA-N 0 3 185.267 2.282 10 0 AEAEHN CC(C)=C[C@@](F)(CN)C1CC1 156507418 344089700 /nfs/dbraw/zinc/08/97/00/344089700.db2.gz ADGSJOWXIQAIPO-SECBINFHSA-N 0 3 157.232 2.030 10 0 AEAEHN CC(C)[C@](F)(CN)C(C)(C)C 156493554 344089704 /nfs/dbraw/zinc/08/97/04/344089704.db2.gz FHZXHXXNNSEOAV-SECBINFHSA-N 0 3 161.264 2.356 10 0 AEAEHN CC[C@](F)(CN)c1cccs1 156490847 344089708 /nfs/dbraw/zinc/08/97/08/344089708.db2.gz UVHAVVYCZMGLAY-QMMMGPOBSA-N 0 3 173.256 2.282 10 0 AEAEHN CC(C)=C[C@](F)(CN)C1CC1 156507550 344089716 /nfs/dbraw/zinc/08/97/16/344089716.db2.gz ADGSJOWXIQAIPO-VIFPVBQESA-N 0 3 157.232 2.030 10 0 AEAEHN CC(C)[C@](F)(CN)C1CCCC1 156500024 344089727 /nfs/dbraw/zinc/08/97/27/344089727.db2.gz NWCSSMPBOPXVHP-SNVBAGLBSA-N 0 3 173.275 2.500 10 0 AEAEHN CC[C@H](N)c1ccc(SC)cn1 156685241 344093899 /nfs/dbraw/zinc/09/38/99/344093899.db2.gz YMTZBLCGFLVZHV-QMMMGPOBSA-N 0 3 182.292 2.213 10 0 AEAEHN CC[C@@H](N)c1ccc(SC)cn1 156685391 344094066 /nfs/dbraw/zinc/09/40/66/344094066.db2.gz YMTZBLCGFLVZHV-MRVPVSSYSA-N 0 3 182.292 2.213 10 0 AEAEHN C[C@H](C1CC1)[C@H](N)c1ccncc1F 156835276 344095727 /nfs/dbraw/zinc/09/57/27/344095727.db2.gz GEHJOGWRLLKOGY-HQJQHLMTSA-N 0 3 194.253 2.267 10 0 AEAEHN CCOc1c(Cl)cccc1CN 156795021 344096012 /nfs/dbraw/zinc/09/60/12/344096012.db2.gz LCHDXMAHFIVPOI-UHFFFAOYSA-N 0 3 185.654 2.197 10 0 AEAEHN C[C@@H](C1CC1)[C@H](N)c1ccncc1F 156835135 344096117 /nfs/dbraw/zinc/09/61/17/344096117.db2.gz GEHJOGWRLLKOGY-CPCISQLKSA-N 0 3 194.253 2.267 10 0 AEAEHN C[C@@H](C1CC1)[C@@H](N)c1ccncc1F 156835426 344096346 /nfs/dbraw/zinc/09/63/46/344096346.db2.gz GEHJOGWRLLKOGY-WRWORJQWSA-N 0 3 194.253 2.267 10 0 AEAEHN C[C@@H]1CN[C@H]1c1ccccc1F 157274558 344102284 /nfs/dbraw/zinc/10/22/84/344102284.db2.gz ZVALMZVYPBYBMW-GMSGAONNSA-N 0 3 165.211 2.106 10 0 AEAEHN C[C@@H]1CN[C@@H]1c1ccccc1F 157274259 344102688 /nfs/dbraw/zinc/10/26/88/344102688.db2.gz ZVALMZVYPBYBMW-XCBNKYQSSA-N 0 3 165.211 2.106 10 0 AEAEHN CC1([C@@H](N)c2ccncc2F)CC1 157474051 344107444 /nfs/dbraw/zinc/10/74/44/344107444.db2.gz FNFHNZNFASKXNG-VIFPVBQESA-N 0 3 180.226 2.021 10 0 AEAEHN N[C@H](c1ccncc1F)C1CCC1 157443933 344107473 /nfs/dbraw/zinc/10/74/73/344107473.db2.gz NPXHQUKIACMKPM-JTQLQIEISA-N 0 3 180.226 2.021 10 0 AEAEHN CC1([C@H](N)c2ccncc2F)CC1 157473900 344107610 /nfs/dbraw/zinc/10/76/10/344107610.db2.gz FNFHNZNFASKXNG-SECBINFHSA-N 0 3 180.226 2.021 10 0 AEAEHN C[C@H]1CCN[C@H](c2ccncc2F)C1 157527430 344108418 /nfs/dbraw/zinc/10/84/18/344108418.db2.gz UTYVJFKBJBSNIM-KWQFWETISA-N 0 3 194.253 2.281 10 0 AEAEHN C[C@@H]1CCN[C@@H](c2ccncc2F)C1 157527560 344108531 /nfs/dbraw/zinc/10/85/31/344108531.db2.gz UTYVJFKBJBSNIM-LDYMZIIASA-N 0 3 194.253 2.281 10 0 AEAEHN C[C@@H]1CCN[C@H](c2ccncc2F)C1 157527284 344108609 /nfs/dbraw/zinc/10/86/09/344108609.db2.gz UTYVJFKBJBSNIM-KCJUWKMLSA-N 0 3 194.253 2.281 10 0 AEAEHN C[C@H]1CCN[C@@H](c2ccncc2F)C1 157527711 344108702 /nfs/dbraw/zinc/10/87/02/344108702.db2.gz UTYVJFKBJBSNIM-GZMMTYOYSA-N 0 3 194.253 2.281 10 0 AEAEHN COc1cnccc1[C@H](N)C(C)(C)C 157769753 344113830 /nfs/dbraw/zinc/11/38/30/344113830.db2.gz MSHYFCCNTILVIS-JTQLQIEISA-N 0 3 194.278 2.136 10 0 AEAEHN COc1cnccc1[C@@H](N)C(C)(C)C 157769601 344113582 /nfs/dbraw/zinc/11/35/82/344113582.db2.gz MSHYFCCNTILVIS-SNVBAGLBSA-N 0 3 194.278 2.136 10 0 AEAEHN CCc1nc2c(C)cc(N)cn2c1C 157762276 344113782 /nfs/dbraw/zinc/11/37/82/344113782.db2.gz VQGXNYOXMVROIK-UHFFFAOYSA-N 0 3 189.262 2.096 10 0 AEAEHN COc1cnccc1[C@@H](N)C=C(C)C 157783849 344114255 /nfs/dbraw/zinc/11/42/55/344114255.db2.gz CXFLYUGDAZFHEI-JTQLQIEISA-N 0 3 192.262 2.056 10 0 AEAEHN Cc1ccc(C)c(C[C@H](F)CN)c1 158078789 344117880 /nfs/dbraw/zinc/11/78/80/344117880.db2.gz CZGSDZAOIGQBMH-NSHDSACASA-N 0 3 181.254 2.143 10 0 AEAEHN FC(F)(F)CC[C@@]1(F)CCCNC1 158087876 344117900 /nfs/dbraw/zinc/11/79/00/344117900.db2.gz ORZUABLPJWGUOJ-ZETCQYMHSA-N 0 3 199.191 2.421 10 0 AEAEHN FC(F)(F)CC[C@]1(F)CCCNC1 158088018 344117926 /nfs/dbraw/zinc/11/79/26/344117926.db2.gz ORZUABLPJWGUOJ-SSDOTTSWSA-N 0 3 199.191 2.421 10 0 AEAEHN Cc1ccc(C)c(C[C@@H](F)CN)c1 158078943 344117929 /nfs/dbraw/zinc/11/79/29/344117929.db2.gz CZGSDZAOIGQBMH-LLVKDONJSA-N 0 3 181.254 2.143 10 0 AEAEHN NC[C@H](F)c1cccc2cnccc12 158083057 344117987 /nfs/dbraw/zinc/11/79/87/344117987.db2.gz PTKPAPMVXWYMME-NSHDSACASA-N 0 3 190.221 2.204 10 0 AEAEHN NC[C@@H](F)c1cccc2[nH]ccc12 158080253 344118080 /nfs/dbraw/zinc/11/80/80/344118080.db2.gz RFUGZSHLOBJKPD-SECBINFHSA-N 0 3 178.210 2.137 10 0 AEAEHN NC[C@@H](F)c1ccc(F)c(F)c1F 158073667 344118100 /nfs/dbraw/zinc/11/81/00/344118100.db2.gz HOXHUVRXIPUMCR-ZCFIWIBFSA-N 0 3 193.143 2.073 10 0 AEAEHN NC[C@@H](F)c1cccc2cccnc12 158073082 344118105 /nfs/dbraw/zinc/11/81/05/344118105.db2.gz LGOKRBBDQOUZOF-SNVBAGLBSA-N 0 3 190.221 2.204 10 0 AEAEHN C[C@@](F)(CN)c1ccc2[nH]ccc2c1 158220875 344121846 /nfs/dbraw/zinc/12/18/46/344121846.db2.gz OEZYITVOYBIWCD-LLVKDONJSA-N 0 3 192.237 2.311 10 0 AEAEHN C[C@](F)(CN)c1cc(F)cc(F)c1 158223068 344121815 /nfs/dbraw/zinc/12/18/15/344121815.db2.gz KYOVWRZSZATOTJ-VIFPVBQESA-N 0 3 189.180 2.108 10 0 AEAEHN C[C@](F)(CN)c1ccc(F)cc1F 158222143 344121834 /nfs/dbraw/zinc/12/18/34/344121834.db2.gz YYRKCKFULOQYFJ-VIFPVBQESA-N 0 3 189.180 2.108 10 0 AEAEHN Cc1ccc(F)cc1[C@](C)(F)CN 158221172 344121881 /nfs/dbraw/zinc/12/18/81/344121881.db2.gz IBODDFAOMHISGJ-SNVBAGLBSA-N 0 3 185.217 2.278 10 0 AEAEHN Cc1ccc([C@](C)(F)CN)c(C)c1 158221471 344121904 /nfs/dbraw/zinc/12/19/04/344121904.db2.gz LEPCPODVNPTLDC-LLVKDONJSA-N 0 3 181.254 2.447 10 0 AEAEHN C[C@@](F)(CN)c1cc(F)cc(F)c1 158222918 344121939 /nfs/dbraw/zinc/12/19/39/344121939.db2.gz KYOVWRZSZATOTJ-SECBINFHSA-N 0 3 189.180 2.108 10 0 AEAEHN C[C@](F)(CN)c1ccc2[nH]ccc2c1 158221016 344121971 /nfs/dbraw/zinc/12/19/71/344121971.db2.gz OEZYITVOYBIWCD-NSHDSACASA-N 0 3 192.237 2.311 10 0 AEAEHN Cc1ccc(F)cc1[C@@](C)(F)CN 158221315 344121978 /nfs/dbraw/zinc/12/19/78/344121978.db2.gz IBODDFAOMHISGJ-JTQLQIEISA-N 0 3 185.217 2.278 10 0 AEAEHN Cc1ccc([C@@](C)(F)CN)c(C)c1 158221592 344122053 /nfs/dbraw/zinc/12/20/53/344122053.db2.gz LEPCPODVNPTLDC-NSHDSACASA-N 0 3 181.254 2.447 10 0 AEAEHN C[C@@](F)(CN)c1ccc(F)cc1F 158222020 344122088 /nfs/dbraw/zinc/12/20/88/344122088.db2.gz YYRKCKFULOQYFJ-SECBINFHSA-N 0 3 189.180 2.108 10 0 AEAEHN Cc1cc(C)cc([C@@](C)(F)CN)c1 158247516 344122199 /nfs/dbraw/zinc/12/21/99/344122199.db2.gz TVEARLDGQHGWKA-NSHDSACASA-N 0 3 181.254 2.447 10 0 AEAEHN C[C@](F)(CN)c1ccc(F)c(F)c1 158256130 344122208 /nfs/dbraw/zinc/12/22/08/344122208.db2.gz FNPKYXLNLPYSQU-VIFPVBQESA-N 0 3 189.180 2.108 10 0 AEAEHN C[C@@](F)(CN)c1cccc2[nH]ccc12 158252209 344122261 /nfs/dbraw/zinc/12/22/61/344122261.db2.gz KWPSJVUCIJDDLS-LLVKDONJSA-N 0 3 192.237 2.311 10 0 AEAEHN COc1ccc([C@@](C)(F)CN)c(C)c1 158257294 344122287 /nfs/dbraw/zinc/12/22/87/344122287.db2.gz BXXPAWGIFNEAQM-NSHDSACASA-N 0 3 197.253 2.147 10 0 AEAEHN CCc1cccc([C@@](C)(F)CN)c1 158249010 344122308 /nfs/dbraw/zinc/12/23/08/344122308.db2.gz LPQGRAWBUDRKBU-NSHDSACASA-N 0 3 181.254 2.392 10 0 AEAEHN C[C@@](F)(CN)c1ccc(F)c(F)c1 158255974 344122334 /nfs/dbraw/zinc/12/23/34/344122334.db2.gz FNPKYXLNLPYSQU-SECBINFHSA-N 0 3 189.180 2.108 10 0 AEAEHN C[C@](F)(CN)c1cccc(F)c1F 158236753 344122343 /nfs/dbraw/zinc/12/23/43/344122343.db2.gz KOODWCAHSWMENT-VIFPVBQESA-N 0 3 189.180 2.108 10 0 AEAEHN C[C@@](F)(CN)c1c(F)cccc1F 158245237 344122351 /nfs/dbraw/zinc/12/23/51/344122351.db2.gz MHFKVRGKDLTHKV-SECBINFHSA-N 0 3 189.180 2.108 10 0 AEAEHN C[C@@](F)(CN)c1cccc(F)c1F 158236612 344122408 /nfs/dbraw/zinc/12/24/08/344122408.db2.gz KOODWCAHSWMENT-SECBINFHSA-N 0 3 189.180 2.108 10 0 AEAEHN Cc1cccc([C@@](C)(F)CN)c1C 158243205 344122431 /nfs/dbraw/zinc/12/24/31/344122431.db2.gz OJXCJFIKVBSOAL-NSHDSACASA-N 0 3 181.254 2.447 10 0 AEAEHN Cc1cc(F)ccc1[C@@](C)(F)CN 158246319 344122460 /nfs/dbraw/zinc/12/24/60/344122460.db2.gz QCSLLLIVLZIGNK-JTQLQIEISA-N 0 3 185.217 2.278 10 0 AEAEHN C[C@](F)(CN)c1c(F)cccc1F 158245377 344122478 /nfs/dbraw/zinc/12/24/78/344122478.db2.gz MHFKVRGKDLTHKV-VIFPVBQESA-N 0 3 189.180 2.108 10 0 AEAEHN COc1ccc([C@](C)(F)CN)c(C)c1 158257154 344122485 /nfs/dbraw/zinc/12/24/85/344122485.db2.gz BXXPAWGIFNEAQM-LLVKDONJSA-N 0 3 197.253 2.147 10 0 AEAEHN C[C@](F)(CN)c1cccc2[nH]ccc12 158252355 344122524 /nfs/dbraw/zinc/12/25/24/344122524.db2.gz KWPSJVUCIJDDLS-NSHDSACASA-N 0 3 192.237 2.311 10 0 AEAEHN Cc1cccc([C@](C)(F)CN)c1C 158243079 344122538 /nfs/dbraw/zinc/12/25/38/344122538.db2.gz OJXCJFIKVBSOAL-LLVKDONJSA-N 0 3 181.254 2.447 10 0 AEAEHN Cc1cc(F)cc([C@@](C)(F)CN)c1 158255257 344122575 /nfs/dbraw/zinc/12/25/75/344122575.db2.gz SPMQMJAUSVIDLL-JTQLQIEISA-N 0 3 185.217 2.278 10 0 AEAEHN Cc1ccccc1C[C@](C)(F)CN 158255401 344122602 /nfs/dbraw/zinc/12/26/02/344122602.db2.gz NDKWBIFTZBHNNF-NSHDSACASA-N 0 3 181.254 2.224 10 0 AEAEHN Cc1ccc(F)c([C@](C)(F)CN)c1 158238768 344122615 /nfs/dbraw/zinc/12/26/15/344122615.db2.gz HNTWRCPKJUVOAH-SNVBAGLBSA-N 0 3 185.217 2.278 10 0 AEAEHN C[C@](F)(CN)Cc1ccccc1F 158245532 344122629 /nfs/dbraw/zinc/12/26/29/344122629.db2.gz BHZAJUVEHCYLQS-SNVBAGLBSA-N 0 3 185.217 2.055 10 0 AEAEHN Cc1cc(C)cc([C@](C)(F)CN)c1 158247362 344122641 /nfs/dbraw/zinc/12/26/41/344122641.db2.gz TVEARLDGQHGWKA-LLVKDONJSA-N 0 3 181.254 2.447 10 0 AEAEHN Cc1cc(F)cc([C@](C)(F)CN)c1 158255119 344122649 /nfs/dbraw/zinc/12/26/49/344122649.db2.gz SPMQMJAUSVIDLL-SNVBAGLBSA-N 0 3 185.217 2.278 10 0 AEAEHN Cc1cc(F)ccc1[C@](C)(F)CN 158246172 344122726 /nfs/dbraw/zinc/12/27/26/344122726.db2.gz QCSLLLIVLZIGNK-SNVBAGLBSA-N 0 3 185.217 2.278 10 0 AEAEHN CCc1cccc([C@](C)(F)CN)c1 158248866 344122730 /nfs/dbraw/zinc/12/27/30/344122730.db2.gz LPQGRAWBUDRKBU-LLVKDONJSA-N 0 3 181.254 2.392 10 0 AEAEHN CC(C)(C)[C@@](F)(CN)C1CC1 158369282 344124594 /nfs/dbraw/zinc/12/45/94/344124594.db2.gz RGANYMBCMKNYCU-SECBINFHSA-N 0 3 159.248 2.110 10 0 AEAEHN CC[C@](F)(CN)c1cccc(F)c1 158351417 344124676 /nfs/dbraw/zinc/12/46/76/344124676.db2.gz XCZYBEPEUWQCHI-JTQLQIEISA-N 0 3 185.217 2.359 10 0 AEAEHN CC[C@@](F)(CN)c1ccccc1F 158338787 344124705 /nfs/dbraw/zinc/12/47/05/344124705.db2.gz RDENURFAUUKJRC-SNVBAGLBSA-N 0 3 185.217 2.359 10 0 AEAEHN CC(C)[C@@](F)(CN)c1ccccc1 158358754 344124721 /nfs/dbraw/zinc/12/47/21/344124721.db2.gz HJZDNYLFBQXTGK-NSHDSACASA-N 0 3 181.254 2.466 10 0 AEAEHN CC(C)(C)[C@](F)(CN)c1ccoc1 158363749 344124792 /nfs/dbraw/zinc/12/47/92/344124792.db2.gz KFWOJVWTPHKHGW-JTQLQIEISA-N 0 3 185.242 2.449 10 0 AEAEHN CC[C@](F)(CN)c1ccccc1F 158338941 344124968 /nfs/dbraw/zinc/12/49/68/344124968.db2.gz RDENURFAUUKJRC-JTQLQIEISA-N 0 3 185.217 2.359 10 0 AEAEHN CC[C@@](F)(CN)c1cccc(F)c1 158351263 344124992 /nfs/dbraw/zinc/12/49/92/344124992.db2.gz XCZYBEPEUWQCHI-SNVBAGLBSA-N 0 3 185.217 2.359 10 0 AEAEHN CC(C)(C)[C@@](F)(CN)c1ccoc1 158363595 344125141 /nfs/dbraw/zinc/12/51/41/344125141.db2.gz KFWOJVWTPHKHGW-SNVBAGLBSA-N 0 3 185.242 2.449 10 0 AEAEHN CC(C)[C@](F)(CN)c1ccccc1 158358909 344125182 /nfs/dbraw/zinc/12/51/82/344125182.db2.gz HJZDNYLFBQXTGK-LLVKDONJSA-N 0 3 181.254 2.466 10 0 AEAEHN CC(C)(C)[C@](F)(CN)C1CC1 158369431 344125209 /nfs/dbraw/zinc/12/52/09/344125209.db2.gz RGANYMBCMKNYCU-VIFPVBQESA-N 0 3 159.248 2.110 10 0 AEAEHN CC(C)(C)[C@@](F)(CN)c1cccnc1 158371094 344125534 /nfs/dbraw/zinc/12/55/34/344125534.db2.gz DDOGHUSRLVEZCG-LLVKDONJSA-N 0 3 196.269 2.251 10 0 AEAEHN Cc1cncc([C@](F)(CN)C(C)C)c1 158388673 344125596 /nfs/dbraw/zinc/12/55/96/344125596.db2.gz PTGSCFJZKHVGIV-NSHDSACASA-N 0 3 196.269 2.170 10 0 AEAEHN Cc1cncc([C@@](F)(CN)C(C)C)c1 158388525 344125640 /nfs/dbraw/zinc/12/56/40/344125640.db2.gz PTGSCFJZKHVGIV-LLVKDONJSA-N 0 3 196.269 2.170 10 0 AEAEHN Cc1ccc([C@](F)(CN)C(C)C)cn1 158396912 344125739 /nfs/dbraw/zinc/12/57/39/344125739.db2.gz QMMJSUADOHGPES-NSHDSACASA-N 0 3 196.269 2.170 10 0 AEAEHN CC(C)(C)[C@](F)(CN)c1ccco1 158374799 344125800 /nfs/dbraw/zinc/12/58/00/344125800.db2.gz ZTRCTKWTQMLKIF-JTQLQIEISA-N 0 3 185.242 2.449 10 0 AEAEHN CC(C)(C)[C@@](F)(CN)c1ccco1 158374648 344125935 /nfs/dbraw/zinc/12/59/35/344125935.db2.gz ZTRCTKWTQMLKIF-SNVBAGLBSA-N 0 3 185.242 2.449 10 0 AEAEHN Cc1ccc([C@@](F)(CN)C(C)C)cn1 158396790 344125952 /nfs/dbraw/zinc/12/59/52/344125952.db2.gz QMMJSUADOHGPES-LLVKDONJSA-N 0 3 196.269 2.170 10 0 AEAEHN CC(C)(C)[C@](F)(CN)c1cccnc1 158371240 344125963 /nfs/dbraw/zinc/12/59/63/344125963.db2.gz DDOGHUSRLVEZCG-NSHDSACASA-N 0 3 196.269 2.251 10 0 AEAEHN NC[C@](F)(c1ccccc1F)C1CC1 158408345 344126476 /nfs/dbraw/zinc/12/64/76/344126476.db2.gz ZXTZLJGITJAFTB-LLVKDONJSA-N 0 3 197.228 2.359 10 0 AEAEHN NC[C@@](F)(c1cccc(F)c1)C1CC1 158417191 344126563 /nfs/dbraw/zinc/12/65/63/344126563.db2.gz ISVKWNBIHSITBQ-NSHDSACASA-N 0 3 197.228 2.359 10 0 AEAEHN NC[C@@](F)(c1ccc(F)cc1)C1CC1 158407175 344126584 /nfs/dbraw/zinc/12/65/84/344126584.db2.gz YEJNFQFSJVLZGW-NSHDSACASA-N 0 3 197.228 2.359 10 0 AEAEHN NC[C@](F)(c1ccc(F)cc1)C1CC1 158407042 344126634 /nfs/dbraw/zinc/12/66/34/344126634.db2.gz YEJNFQFSJVLZGW-LLVKDONJSA-N 0 3 197.228 2.359 10 0 AEAEHN N[C@H](c1csnn1)C1CCCCC1 158608518 344129461 /nfs/dbraw/zinc/12/94/61/344129461.db2.gz BKYUONGNFDRLJI-VIFPVBQESA-N 0 3 197.307 2.118 10 0 AEAEHN N[C@H](c1cnsn1)C1CCCCC1 158631222 344129640 /nfs/dbraw/zinc/12/96/40/344129640.db2.gz HEUHONPLWRNCEL-VIFPVBQESA-N 0 3 197.307 2.118 10 0 AEAEHN N[C@@H](c1cnsn1)C1CCCCC1 158631110 344129758 /nfs/dbraw/zinc/12/97/58/344129758.db2.gz HEUHONPLWRNCEL-SECBINFHSA-N 0 3 197.307 2.118 10 0 AEAEHN N[C@@H](c1csnn1)C1CCCCC1 158608383 344129853 /nfs/dbraw/zinc/12/98/53/344129853.db2.gz BKYUONGNFDRLJI-SECBINFHSA-N 0 3 197.307 2.118 10 0 AEAEHN Cc1cc(F)cc2c1CSC[C@H]2N 158764606 344132370 /nfs/dbraw/zinc/13/23/70/344132370.db2.gz FUEPTZDYJRLFSL-SNVBAGLBSA-N 0 3 197.278 2.381 10 0 AEAEHN C[C@@H]1CCCN[C@H]1c1ccc(F)cn1 158798666 344132818 /nfs/dbraw/zinc/13/28/18/344132818.db2.gz ANZPOFHNLBHELI-LDYMZIIASA-N 0 3 194.253 2.281 10 0 AEAEHN C[C@H]1CCCN[C@H]1c1ccc(F)cn1 158798804 344133020 /nfs/dbraw/zinc/13/30/20/344133020.db2.gz ANZPOFHNLBHELI-GZMMTYOYSA-N 0 3 194.253 2.281 10 0 AEAEHN C[C@H]1CCCN[C@@H]1c1ccc(F)cn1 158798531 344133042 /nfs/dbraw/zinc/13/30/42/344133042.db2.gz ANZPOFHNLBHELI-KWQFWETISA-N 0 3 194.253 2.281 10 0 AEAEHN C[C@@H]1CCCN[C@@H]1c1ccc(F)cn1 158798386 344133087 /nfs/dbraw/zinc/13/30/87/344133087.db2.gz ANZPOFHNLBHELI-KCJUWKMLSA-N 0 3 194.253 2.281 10 0 AEAEHN Cc1nc(C)c([C@@H]2CCCCCN2)o1 159411887 344143930 /nfs/dbraw/zinc/14/39/30/344143930.db2.gz MOVVRUCHQRNCCL-JTQLQIEISA-N 0 3 194.278 2.496 10 0 AEAEHN Cc1ncoc1[C@H]1CCCCCN1 159412273 344143967 /nfs/dbraw/zinc/14/39/67/344143967.db2.gz RNNZPNSAGPSIAQ-SECBINFHSA-N 0 3 180.251 2.188 10 0 AEAEHN Cc1nc(C)c([C@H]2CCCCCN2)o1 159412011 344144033 /nfs/dbraw/zinc/14/40/33/344144033.db2.gz MOVVRUCHQRNCCL-SNVBAGLBSA-N 0 3 194.278 2.496 10 0 AEAEHN Cc1ncoc1[C@@H]1CCCCCN1 159412162 344144060 /nfs/dbraw/zinc/14/40/60/344144060.db2.gz RNNZPNSAGPSIAQ-VIFPVBQESA-N 0 3 180.251 2.188 10 0 AEAEHN Cc1nc(C)c(CNC2CCCC2)o1 159421880 344144580 /nfs/dbraw/zinc/14/45/80/344144580.db2.gz KPNPNZCHVMFGPB-UHFFFAOYSA-N 0 3 194.278 2.324 10 0 AEAEHN CC(C)[C@@H]([NH3+])Cc1cc([O-])cc(F)c1 159674747 344149957 /nfs/dbraw/zinc/14/99/57/344149957.db2.gz SFFLTVIHTIYCTK-NSHDSACASA-N 0 3 197.253 2.057 10 0 AEAEHN CC(C)[C@H]([NH3+])Cc1cc([O-])cc(F)c1 159674637 344150019 /nfs/dbraw/zinc/15/00/19/344150019.db2.gz SFFLTVIHTIYCTK-LLVKDONJSA-N 0 3 197.253 2.057 10 0 AEAEHN Nc1cc(F)cc(CN2CCCC2)c1 159844865 344153155 /nfs/dbraw/zinc/15/31/55/344153155.db2.gz VXMRBDSZIDSEQP-UHFFFAOYSA-N 0 3 194.253 2.004 10 0 AEAEHN COc1cc(C)c([C@H](F)CN)cc1C 159895083 344153995 /nfs/dbraw/zinc/15/39/95/344153995.db2.gz MUJBAZOIICCPPD-SNVBAGLBSA-N 0 3 197.253 2.281 10 0 AEAEHN COc1cc(C)c([C@@H](F)CN)cc1C 159895188 344154039 /nfs/dbraw/zinc/15/40/39/344154039.db2.gz MUJBAZOIICCPPD-JTQLQIEISA-N 0 3 197.253 2.281 10 0 AEAEHN Fc1cccc(C=C2CNC2)c1Cl 159926013 344154554 /nfs/dbraw/zinc/15/45/54/344154554.db2.gz CIAKHMZUQCRXEO-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN N[C@H](C1=COCCC1)c1cccs1 160035902 344157114 /nfs/dbraw/zinc/15/71/14/344157114.db2.gz CLLYFRWHQAZDTQ-SNVBAGLBSA-N 0 3 195.287 2.442 10 0 AEAEHN N[C@@H](C1=COCCC1)c1cccs1 160036036 344157176 /nfs/dbraw/zinc/15/71/76/344157176.db2.gz CLLYFRWHQAZDTQ-JTQLQIEISA-N 0 3 195.287 2.442 10 0 AEAEHN N[C@H](C1=COCCC1)c1ccsc1 160039155 344157249 /nfs/dbraw/zinc/15/72/49/344157249.db2.gz ZDSUUAWRYOLQGV-SNVBAGLBSA-N 0 3 195.287 2.442 10 0 AEAEHN N[C@@H](C1=COCCC1)c1ccsc1 160039267 344157353 /nfs/dbraw/zinc/15/73/53/344157353.db2.gz ZDSUUAWRYOLQGV-JTQLQIEISA-N 0 3 195.287 2.442 10 0 AEAEHN N[C@@H](C1=COCCC1)c1ccccc1 160041541 344157691 /nfs/dbraw/zinc/15/76/91/344157691.db2.gz KPVAOKXURWCKDX-GFCCVEGCSA-N 0 3 189.258 2.381 10 0 AEAEHN N[C@H](C1=COCCC1)c1ccccc1 160041457 344157717 /nfs/dbraw/zinc/15/77/17/344157717.db2.gz KPVAOKXURWCKDX-LBPRGKRZSA-N 0 3 189.258 2.381 10 0 AEAEHN CN[C@H](C1=COCCC1)c1ccoc1 160079650 344158132 /nfs/dbraw/zinc/15/81/32/344158132.db2.gz OMDWAICUWBHSDB-LLVKDONJSA-N 0 3 193.246 2.234 10 0 AEAEHN CN[C@@H](C1=COCCC1)c1ccoc1 160079797 344158309 /nfs/dbraw/zinc/15/83/09/344158309.db2.gz OMDWAICUWBHSDB-NSHDSACASA-N 0 3 193.246 2.234 10 0 AEAEHN CC[C@H]1CNCc2cccc(F)c21 160401919 344164398 /nfs/dbraw/zinc/16/43/98/344164398.db2.gz VIKFPDMIPYNAPO-QMMMGPOBSA-N 0 3 179.238 2.423 10 0 AEAEHN CC[C@@H]1CNCc2cccc(F)c21 160401795 344164531 /nfs/dbraw/zinc/16/45/31/344164531.db2.gz VIKFPDMIPYNAPO-MRVPVSSYSA-N 0 3 179.238 2.423 10 0 AEAEHN Cc1occc1-c1ncc(CN)s1 160420086 344165684 /nfs/dbraw/zinc/16/56/84/344165684.db2.gz QQYQGNUIUWIBCD-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CC(C)C(=O)C1C[C@@H]2CC[C@H](C1)N2C 160419790 344165752 /nfs/dbraw/zinc/16/57/52/344165752.db2.gz ITILSYBZERDOHN-FGWVZKOKSA-N 0 3 195.306 2.084 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1ccoc1C 160438040 344166315 /nfs/dbraw/zinc/16/63/15/344166315.db2.gz KZTJULSJYYAHCC-WPRPVWTQSA-N 0 3 165.236 2.172 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1ccoc1C 160437644 344166416 /nfs/dbraw/zinc/16/64/16/344166416.db2.gz KZTJULSJYYAHCC-PSASIEDQSA-N 0 3 165.236 2.172 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1ccoc1C 160437776 344166524 /nfs/dbraw/zinc/16/65/24/344166524.db2.gz KZTJULSJYYAHCC-WCBMZHEXSA-N 0 3 165.236 2.172 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1ccoc1C 160437908 344166543 /nfs/dbraw/zinc/16/65/43/344166543.db2.gz KZTJULSJYYAHCC-SCZZXKLOSA-N 0 3 165.236 2.172 10 0 AEAEHN C[C@](F)(CN)Cc1ccc(F)cc1 160931096 344180538 /nfs/dbraw/zinc/18/05/38/344180538.db2.gz VWWLPTMPPZVPAD-SNVBAGLBSA-N 0 3 185.217 2.055 10 0 AEAEHN C[C@@](F)(CN)Cc1ccc(F)cc1 160931220 344180658 /nfs/dbraw/zinc/18/06/58/344180658.db2.gz VWWLPTMPPZVPAD-JTQLQIEISA-N 0 3 185.217 2.055 10 0 AEAEHN C[C@@](F)(CN)Cc1cccc(F)c1 160930944 344180692 /nfs/dbraw/zinc/18/06/92/344180692.db2.gz BWCCRWROPCRCJL-JTQLQIEISA-N 0 3 185.217 2.055 10 0 AEAEHN C[C@](F)(CN)Cc1cccc(F)c1 160930832 344180776 /nfs/dbraw/zinc/18/07/76/344180776.db2.gz BWCCRWROPCRCJL-SNVBAGLBSA-N 0 3 185.217 2.055 10 0 AEAEHN CC[C@@](F)(CN)C(C)(C)C 160931971 344180964 /nfs/dbraw/zinc/18/09/64/344180964.db2.gz DJKUYSHNZVPLKP-MRVPVSSYSA-N 0 3 147.237 2.110 10 0 AEAEHN CC[C@](F)(CN)C(C)(C)C 160931995 344181143 /nfs/dbraw/zinc/18/11/43/344181143.db2.gz DJKUYSHNZVPLKP-QMMMGPOBSA-N 0 3 147.237 2.110 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1ccccc1F 161010817 344183295 /nfs/dbraw/zinc/18/32/95/344183295.db2.gz UUIZHAPYVVPRLN-KWQFWETISA-N 0 3 179.238 2.410 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1ccccc1F 161010698 344183329 /nfs/dbraw/zinc/18/33/29/344183329.db2.gz UUIZHAPYVVPRLN-KCJUWKMLSA-N 0 3 179.238 2.410 10 0 AEAEHN Cc1ccoc1-c1nc(CN)cs1 161191417 344186723 /nfs/dbraw/zinc/18/67/23/344186723.db2.gz MJEBXFSXSHGYFK-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN Cc1ccoc1-c1ncc(CN)s1 161182388 344186761 /nfs/dbraw/zinc/18/67/61/344186761.db2.gz SVLVZXXFSRUSKQ-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1occc1C 161273686 344188321 /nfs/dbraw/zinc/18/83/21/344188321.db2.gz ZTGJDYHWQNOYQV-SCZZXKLOSA-N 0 3 165.236 2.172 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1occc1C 161273580 344188335 /nfs/dbraw/zinc/18/83/35/344188335.db2.gz ZTGJDYHWQNOYQV-WCBMZHEXSA-N 0 3 165.236 2.172 10 0 AEAEHN Cc1ccnc([C@@H](N)C2CCC2)c1 161360760 344189869 /nfs/dbraw/zinc/18/98/69/344189869.db2.gz RTZFOPREHYJDOX-NSHDSACASA-N 0 3 176.263 2.190 10 0 AEAEHN Cc1ccnc([C@H](N)C2CCC2)c1 161360638 344190061 /nfs/dbraw/zinc/19/00/61/344190061.db2.gz RTZFOPREHYJDOX-LLVKDONJSA-N 0 3 176.263 2.190 10 0 AEAEHN N[C@@H](c1ccc(F)cn1)C1CCC1 161433192 344191201 /nfs/dbraw/zinc/19/12/01/344191201.db2.gz GGWVOCYMJXHGBM-SNVBAGLBSA-N 0 3 180.226 2.021 10 0 AEAEHN N[C@H](c1ccc(F)cn1)C1CCC1 161433320 344191394 /nfs/dbraw/zinc/19/13/94/344191394.db2.gz GGWVOCYMJXHGBM-JTQLQIEISA-N 0 3 180.226 2.021 10 0 AEAEHN Cc1cnc([C@H](N)C2CCC2)c(C)c1 161475514 344191772 /nfs/dbraw/zinc/19/17/72/344191772.db2.gz SQHKSIGQDQIKNI-LLVKDONJSA-N 0 3 190.290 2.498 10 0 AEAEHN Cc1cnc([C@@H](N)C2CCC2)c(C)c1 161475644 344191972 /nfs/dbraw/zinc/19/19/72/344191972.db2.gz SQHKSIGQDQIKNI-NSHDSACASA-N 0 3 190.290 2.498 10 0 AEAEHN CC(C)[C@](F)(CN)C1CCC1 161699475 344196313 /nfs/dbraw/zinc/19/63/13/344196313.db2.gz OPPICKMJEGUAJT-SECBINFHSA-N 0 3 159.248 2.110 10 0 AEAEHN CC(C)[C@@](F)(CN)C1CCC1 161699329 344196575 /nfs/dbraw/zinc/19/65/75/344196575.db2.gz OPPICKMJEGUAJT-VIFPVBQESA-N 0 3 159.248 2.110 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H]2CO[C@@H](C)C2)o1 162023656 344202658 /nfs/dbraw/zinc/20/26/58/344202658.db2.gz RIRCHEMWYYLZQZ-ATZCPNFKSA-N 0 3 195.262 2.013 10 0 AEAEHN N[C@@H](CC1CCCC1)c1cnsn1 162544178 344209984 /nfs/dbraw/zinc/20/99/84/344209984.db2.gz QJCGBISXXKCLOB-QMMMGPOBSA-N 0 3 197.307 2.118 10 0 AEAEHN Cc1[nH]c(N)nc1-c1cccc(F)c1 162731400 344212596 /nfs/dbraw/zinc/21/25/96/344212596.db2.gz UHUMCXRPOGVMNG-UHFFFAOYSA-N 0 3 191.209 2.106 10 0 AEAEHN CN[C@@H](C)c1ccncc1Cl 162731677 344212629 /nfs/dbraw/zinc/21/26/29/344212629.db2.gz ZQADMMBVYMCLRK-LURJTMIESA-N 0 3 170.643 2.015 10 0 AEAEHN CN[C@@H](C)c1ccc(C)cc1F 162736958 344213210 /nfs/dbraw/zinc/21/32/10/344213210.db2.gz MUFMISMNPQIZOW-QMMMGPOBSA-N 0 3 167.227 2.415 10 0 AEAEHN CN[C@H](C)c1ccc(C)cc1F 162736842 344213215 /nfs/dbraw/zinc/21/32/15/344213215.db2.gz MUFMISMNPQIZOW-MRVPVSSYSA-N 0 3 167.227 2.415 10 0 AEAEHN Cc1ncsc1[C@H](N)C(C)(C)C 162765524 344213434 /nfs/dbraw/zinc/21/34/34/344213434.db2.gz PBPFZLKLBFRKKD-QMMMGPOBSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1nc([C@@H](N)C(C)(C)C)cs1 162779805 344213493 /nfs/dbraw/zinc/21/34/93/344213493.db2.gz HVHLUCBLPBUIDH-MRVPVSSYSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1nc([C@H](N)C(C)(C)C)cs1 162779713 344213778 /nfs/dbraw/zinc/21/37/78/344213778.db2.gz HVHLUCBLPBUIDH-QMMMGPOBSA-N 0 3 184.308 2.497 10 0 AEAEHN C[C@H]1CN([C@@H](C)C(C)(C)C)CCC1=O 162811665 344214111 /nfs/dbraw/zinc/21/41/11/344214111.db2.gz BXVAYTCCMAQDAX-UWVGGRQHSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H](N1CCC(=O)[C@H](C)C1)C(C)(C)C 162811551 344214116 /nfs/dbraw/zinc/21/41/16/344214116.db2.gz BXVAYTCCMAQDAX-ZJUUUORDSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H]1C[C@H]1NCc1cc(F)cc(F)c1 162829450 344214507 /nfs/dbraw/zinc/21/45/07/344214507.db2.gz UUNNDYUVXXIQDQ-WRWORJQWSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1cc(F)cc(F)c1 162829212 344214662 /nfs/dbraw/zinc/21/46/62/344214662.db2.gz UUNNDYUVXXIQDQ-CPCISQLKSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@@H](C)C(C)(C)C 162816101 344214703 /nfs/dbraw/zinc/21/47/03/344214703.db2.gz SCRTWAIXOOCKQY-UWVGGRQHSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H](NC1=NCCS1)C(C)(C)C 162862048 344214967 /nfs/dbraw/zinc/21/49/67/344214967.db2.gz DOGSHXNZZYFYIA-SSDOTTSWSA-N 0 3 186.324 2.113 10 0 AEAEHN C[C@@H](Nc1nccn1C)C(C)(C)C 162846560 344214979 /nfs/dbraw/zinc/21/49/79/344214979.db2.gz PTQCFGPHFGARTK-MRVPVSSYSA-N 0 3 181.283 2.267 10 0 AEAEHN C[C@H](NC1=NCCS1)C(C)(C)C 162861928 344215025 /nfs/dbraw/zinc/21/50/25/344215025.db2.gz DOGSHXNZZYFYIA-ZETCQYMHSA-N 0 3 186.324 2.113 10 0 AEAEHN COc1ncccc1[C@@H](N)C(C)(C)C 162849158 344215063 /nfs/dbraw/zinc/21/50/63/344215063.db2.gz HXFAMZOEHLFGBV-SECBINFHSA-N 0 3 194.278 2.136 10 0 AEAEHN C[C@H](Nc1nccn1C)C(C)(C)C 162846442 344215127 /nfs/dbraw/zinc/21/51/27/344215127.db2.gz PTQCFGPHFGARTK-QMMMGPOBSA-N 0 3 181.283 2.267 10 0 AEAEHN COc1ncccc1[C@H](N)C(C)(C)C 162849261 344215148 /nfs/dbraw/zinc/21/51/48/344215148.db2.gz HXFAMZOEHLFGBV-VIFPVBQESA-N 0 3 194.278 2.136 10 0 AEAEHN CN[C@@H](c1ccco1)[C@@H]1CCSC1 162870370 344215518 /nfs/dbraw/zinc/21/55/18/344215518.db2.gz HYEPMQFDGOSQMT-PSASIEDQSA-N 0 3 197.303 2.293 10 0 AEAEHN CN[C@@H](c1ccco1)[C@H]1CCSC1 162870595 344215728 /nfs/dbraw/zinc/21/57/28/344215728.db2.gz HYEPMQFDGOSQMT-WCBMZHEXSA-N 0 3 197.303 2.293 10 0 AEAEHN CN[C@H](c1ccco1)[C@@H]1CCSC1 162870491 344215882 /nfs/dbraw/zinc/21/58/82/344215882.db2.gz HYEPMQFDGOSQMT-SCZZXKLOSA-N 0 3 197.303 2.293 10 0 AEAEHN CN[C@H](c1ccco1)[C@H]1CCSC1 162870685 344215935 /nfs/dbraw/zinc/21/59/35/344215935.db2.gz HYEPMQFDGOSQMT-WPRPVWTQSA-N 0 3 197.303 2.293 10 0 AEAEHN CCN[C@@H](C)c1occc1C 162917659 344216335 /nfs/dbraw/zinc/21/63/35/344216335.db2.gz CGFHOFYHIJRHJH-QMMMGPOBSA-N 0 3 153.225 2.259 10 0 AEAEHN CCN[C@H](C)c1occc1C 162917783 344216670 /nfs/dbraw/zinc/21/66/70/344216670.db2.gz CGFHOFYHIJRHJH-MRVPVSSYSA-N 0 3 153.225 2.259 10 0 AEAEHN C[C@H](CN1CCC(=O)CC1)C(C)(C)C 162961557 344216869 /nfs/dbraw/zinc/21/68/69/344216869.db2.gz VHNRQUORRKKSBS-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H](CN1CCC(=O)CC1)C(C)(C)C 162961433 344217242 /nfs/dbraw/zinc/21/72/42/344217242.db2.gz VHNRQUORRKKSBS-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCNCc1c(F)ccc(C)c1F 162999344 344217561 /nfs/dbraw/zinc/21/75/61/344217561.db2.gz VWXOWNDUYHQHKW-UHFFFAOYSA-N 0 3 185.217 2.383 10 0 AEAEHN CNCc1cc(Cl)ccc1N(C)C 163145447 344219769 /nfs/dbraw/zinc/21/97/69/344219769.db2.gz LKYKTUSEPPDOGL-UHFFFAOYSA-N 0 3 198.697 2.125 10 0 AEAEHN COC[C@@H](N)c1cccc(C)c1Cl 163290169 344221448 /nfs/dbraw/zinc/22/14/48/344221448.db2.gz TYAFBRDAUVBRCX-SECBINFHSA-N 0 3 199.681 2.295 10 0 AEAEHN COC[C@H](N)c1cccc(C)c1Cl 163290271 344221684 /nfs/dbraw/zinc/22/16/84/344221684.db2.gz TYAFBRDAUVBRCX-VIFPVBQESA-N 0 3 199.681 2.295 10 0 AEAEHN C#CCN[C@]1(C)CCc2ccccc21 163365944 344222422 /nfs/dbraw/zinc/22/24/22/344222422.db2.gz JHOSNWQWYSUZHU-CYBMUJFWSA-N 0 3 185.270 2.071 10 0 AEAEHN C#CCN[C@@]1(C)CCc2ccccc21 163365812 344222589 /nfs/dbraw/zinc/22/25/89/344222589.db2.gz JHOSNWQWYSUZHU-ZDUSSCGKSA-N 0 3 185.270 2.071 10 0 AEAEHN Cc1cc(F)ccc1C=C1CNC1 163446472 344223758 /nfs/dbraw/zinc/22/37/58/344223758.db2.gz HKMDFZPOIJCRSJ-UHFFFAOYSA-N 0 3 177.222 2.121 10 0 AEAEHN C[C@@H](C1CC1)[C@@H](N)c1ccco1 163509414 344224131 /nfs/dbraw/zinc/22/41/31/344224131.db2.gz SWVSCBZOGVPKOF-OIBJUYFYSA-N 0 3 165.236 2.326 10 0 AEAEHN C[C@@H](C1CC1)[C@H](N)c1ccco1 163509242 344224161 /nfs/dbraw/zinc/22/41/61/344224161.db2.gz SWVSCBZOGVPKOF-XVKPBYJWSA-N 0 3 165.236 2.326 10 0 AEAEHN C[C@H](C1CC1)[C@H](N)c1ccco1 163509322 344224182 /nfs/dbraw/zinc/22/41/82/344224182.db2.gz SWVSCBZOGVPKOF-XCBNKYQSSA-N 0 3 165.236 2.326 10 0 AEAEHN C[C@H](C1CC1)[C@@H](N)c1ccco1 163509485 344224258 /nfs/dbraw/zinc/22/42/58/344224258.db2.gz SWVSCBZOGVPKOF-GMSGAONNSA-N 0 3 165.236 2.326 10 0 AEAEHN Fc1cc(Cl)ccc1C=C1CNC1 163642220 344226443 /nfs/dbraw/zinc/22/64/43/344226443.db2.gz IEQPXHKXGNKLOL-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN CCN[C@@H](C)c1ccoc1C 163834421 344231285 /nfs/dbraw/zinc/23/12/85/344231285.db2.gz GEKZOGXRKXQMDV-ZETCQYMHSA-N 0 3 153.225 2.259 10 0 AEAEHN CCN[C@H](C)c1ccoc1C 163834543 344231345 /nfs/dbraw/zinc/23/13/45/344231345.db2.gz GEKZOGXRKXQMDV-SSDOTTSWSA-N 0 3 153.225 2.259 10 0 AEAEHN Cc1cccnc1CNC1CC(C)C1 163878438 344232088 /nfs/dbraw/zinc/23/20/88/344232088.db2.gz ODLXPKLZWSUHCK-UHFFFAOYSA-N 0 3 190.290 2.278 10 0 AEAEHN C[C@H]1C[C@@H]1NCc1cccnc1Cl 163884022 344232165 /nfs/dbraw/zinc/23/21/65/344232165.db2.gz GDUJTBBUFBAGMW-CBAPKCEASA-N 0 3 196.681 2.233 10 0 AEAEHN C[C@H]1C[C@H]1NCc1cccnc1Cl 163884242 344232232 /nfs/dbraw/zinc/23/22/32/344232232.db2.gz GDUJTBBUFBAGMW-IONNQARKSA-N 0 3 196.681 2.233 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1cccnc1Cl 163884129 344232282 /nfs/dbraw/zinc/23/22/82/344232282.db2.gz GDUJTBBUFBAGMW-VXNVDRBHSA-N 0 3 196.681 2.233 10 0 AEAEHN Cc1cccnc1CNC1CC=CC1 163885433 344232436 /nfs/dbraw/zinc/23/24/36/344232436.db2.gz YGXIPRPRPZLLNQ-UHFFFAOYSA-N 0 3 188.274 2.198 10 0 AEAEHN CN[C@@H](c1occc1C)C1CC1 163924130 344233220 /nfs/dbraw/zinc/23/32/20/344233220.db2.gz ARBBTMVUMZILDR-SECBINFHSA-N 0 3 165.236 2.259 10 0 AEAEHN CC[C@@H](NCc1cc[nH]n1)C(C)(C)C 163913305 344233351 /nfs/dbraw/zinc/23/33/51/344233351.db2.gz SHYZBMHCEFDBNE-SNVBAGLBSA-N 0 3 195.310 2.324 10 0 AEAEHN CC[C@H](NCc1cc[nH]n1)C(C)(C)C 163913179 344233378 /nfs/dbraw/zinc/23/33/78/344233378.db2.gz SHYZBMHCEFDBNE-JTQLQIEISA-N 0 3 195.310 2.324 10 0 AEAEHN Cc1ccc(F)cc1C=C1CNC1 163983878 344234374 /nfs/dbraw/zinc/23/43/74/344234374.db2.gz GMIYZVMMUMLOOO-UHFFFAOYSA-N 0 3 177.222 2.121 10 0 AEAEHN CC(C)=C[C@@H](N)c1scnc1C 164022201 344234792 /nfs/dbraw/zinc/23/47/92/344234792.db2.gz YSRBNKCJUYARNU-MRVPVSSYSA-N 0 3 182.292 2.418 10 0 AEAEHN Cc1ccc(F)c2c1CSC[C@@H]2N 163998943 344234980 /nfs/dbraw/zinc/23/49/80/344234980.db2.gz KTBYKQBWKRTAKH-VIFPVBQESA-N 0 3 197.278 2.381 10 0 AEAEHN CNc1cccc(NC2CC(C)C2)n1 164043010 344235246 /nfs/dbraw/zinc/23/52/46/344235246.db2.gz WYRSROIAYDJIOQ-UHFFFAOYSA-N 0 3 191.278 2.334 10 0 AEAEHN CC(C)=C[C@H](N)c1cccnc1C 164023929 344235433 /nfs/dbraw/zinc/23/54/33/344235433.db2.gz ZLKUAPIMPVJHQQ-NSHDSACASA-N 0 3 176.263 2.356 10 0 AEAEHN CN[C@H](C=C(C)C)c1cncc(F)c1 164055462 344235698 /nfs/dbraw/zinc/23/56/98/344235698.db2.gz OKAIJUSTBQGACR-LLVKDONJSA-N 0 3 194.253 2.447 10 0 AEAEHN CC(C)=C[C@H](N)c1ccc(C)nc1 164058234 344235797 /nfs/dbraw/zinc/23/57/97/344235797.db2.gz OPGCKSARAHLGLX-NSHDSACASA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)=C[C@H](N)c1cncc(C)c1 164050513 344235874 /nfs/dbraw/zinc/23/58/74/344235874.db2.gz HEHHZTPJVGWXAZ-NSHDSACASA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)=C[C@@H](N)c1cncc(C)c1 164050411 344235898 /nfs/dbraw/zinc/23/58/98/344235898.db2.gz HEHHZTPJVGWXAZ-LLVKDONJSA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccc(C)nc1 164058135 344235991 /nfs/dbraw/zinc/23/59/91/344235991.db2.gz OPGCKSARAHLGLX-LLVKDONJSA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)=C[C@H](N)c1cncc(F)c1 164061029 344236322 /nfs/dbraw/zinc/23/63/22/344236322.db2.gz UWHVJJJBPHPQCS-JTQLQIEISA-N 0 3 180.226 2.187 10 0 AEAEHN CCC(C)(CC)NCc1nccn1C 164090533 344236912 /nfs/dbraw/zinc/23/69/12/344236912.db2.gz LBGBKFVWTBAKCW-UHFFFAOYSA-N 0 3 195.310 2.088 10 0 AEAEHN CCC(C)(CC)NCc1ncc[nH]1 164090296 344237018 /nfs/dbraw/zinc/23/70/18/344237018.db2.gz KCGOCBFZNQTUDB-UHFFFAOYSA-N 0 3 181.283 2.078 10 0 AEAEHN CCC(C)(CC)NCc1cc[nH]n1 164090414 344237071 /nfs/dbraw/zinc/23/70/71/344237071.db2.gz QJBWYZRADNTDQQ-UHFFFAOYSA-N 0 3 181.283 2.078 10 0 AEAEHN CNc1cccc(N(C)C2CCC2)n1 164162714 344238325 /nfs/dbraw/zinc/23/83/25/344238325.db2.gz LGNLPLQVZTXCJF-UHFFFAOYSA-N 0 3 191.278 2.112 10 0 AEAEHN CN[C@@H](C)c1sccc1OC 164196176 344239340 /nfs/dbraw/zinc/23/93/40/344239340.db2.gz PTQIRUWZJXZJMN-LURJTMIESA-N 0 3 171.265 2.037 10 0 AEAEHN CN[C@H](C)c1sccc1OC 164196298 344239350 /nfs/dbraw/zinc/23/93/50/344239350.db2.gz PTQIRUWZJXZJMN-ZCFIWIBFSA-N 0 3 171.265 2.037 10 0 AEAEHN Cc1ccoc1[C@@H](N)C1CCC1 164214650 344239730 /nfs/dbraw/zinc/23/97/30/344239730.db2.gz PLUZOROPMWMTTH-VIFPVBQESA-N 0 3 165.236 2.388 10 0 AEAEHN Cc1ccoc1[C@H](N)C1CCC1 164214537 344239779 /nfs/dbraw/zinc/23/97/79/344239779.db2.gz PLUZOROPMWMTTH-SECBINFHSA-N 0 3 165.236 2.388 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1scnc1C 164580481 344247193 /nfs/dbraw/zinc/24/71/93/344247193.db2.gz FPVNGODQYMEJIW-POYBYMJQSA-N 0 3 184.308 2.497 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1scnc1C 164580146 344247234 /nfs/dbraw/zinc/24/72/34/344247234.db2.gz FPVNGODQYMEJIW-SVRRBLITSA-N 0 3 184.308 2.497 10 0 AEAEHN CC[C@H](C)[C@H](N)c1scnc1C 164580244 344247321 /nfs/dbraw/zinc/24/73/21/344247321.db2.gz FPVNGODQYMEJIW-XPUUQOCRSA-N 0 3 184.308 2.497 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1scnc1C 164580370 344247352 /nfs/dbraw/zinc/24/73/52/344247352.db2.gz FPVNGODQYMEJIW-HTRCEHHLSA-N 0 3 184.308 2.497 10 0 AEAEHN CC(C)=C[C@H](N)c1cnccc1C 164879142 344253748 /nfs/dbraw/zinc/25/37/48/344253748.db2.gz UOPNMWNYYIXBLZ-NSHDSACASA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)=C[C@@H](N)c1cnccc1C 164879034 344253837 /nfs/dbraw/zinc/25/38/37/344253837.db2.gz UOPNMWNYYIXBLZ-LLVKDONJSA-N 0 3 176.263 2.356 10 0 AEAEHN C[C@H]1C[C@@H](C)N=C(NC2CC2)S1 164944031 344255113 /nfs/dbraw/zinc/25/51/13/344255113.db2.gz SPMAMRQTHPSQMT-RQJHMYQMSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@@H]1C[C@@H](C)SC(NC2CC2)=N1 164944277 344255186 /nfs/dbraw/zinc/25/51/86/344255186.db2.gz SPMAMRQTHPSQMT-RNFRBKRXSA-N 0 3 184.308 2.008 10 0 AEAEHN CC(C)NC1=N[C@H](C)C[C@H](C)S1 164942077 344255224 /nfs/dbraw/zinc/25/52/24/344255224.db2.gz XAKLEORNOWCJJD-SFYZADRCSA-N 0 3 186.324 2.254 10 0 AEAEHN CC(C)NC1=N[C@H](C)C[C@@H](C)S1 164942335 344255265 /nfs/dbraw/zinc/25/52/65/344255265.db2.gz XAKLEORNOWCJJD-HTQZYQBOSA-N 0 3 186.324 2.254 10 0 AEAEHN C[C@H]1C[C@H](C)SC(NC2CC2)=N1 164944154 344255292 /nfs/dbraw/zinc/25/52/92/344255292.db2.gz SPMAMRQTHPSQMT-BQBZGAKWSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@H]1C[C@@H](C)SC(NC2CC2)=N1 164944398 344255388 /nfs/dbraw/zinc/25/53/88/344255388.db2.gz SPMAMRQTHPSQMT-NKWVEPMBSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@H]1C[C@@H](C)N=C(NC2CCC2)S1 165004634 344256461 /nfs/dbraw/zinc/25/64/61/344256461.db2.gz LCWIFCRKIPIMIQ-SFYZADRCSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@H]1C[C@@H](C)N=C(N[C@@H]2C[C@@H]2C)S1 165005542 344256512 /nfs/dbraw/zinc/25/65/12/344256512.db2.gz OGYBCHMUTFKNKV-UYXSQOIJSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@H]1C[C@@H](C)N=C(N[C@H]2C[C@H]2C)S1 165005162 344256611 /nfs/dbraw/zinc/25/66/11/344256611.db2.gz OGYBCHMUTFKNKV-HXFLIBJXSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1C[C@@H](C)SC(NC2CCC2)=N1 165004895 344256672 /nfs/dbraw/zinc/25/66/72/344256672.db2.gz LCWIFCRKIPIMIQ-HTQZYQBOSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@H]1C[C@@H](C)N=C(N[C@@H]2C[C@H]2C)S1 165005422 344256730 /nfs/dbraw/zinc/25/67/30/344256730.db2.gz OGYBCHMUTFKNKV-LURQLKTLSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@H]1C[C@H](C)SC(NC2CCC2)=N1 165004765 344256776 /nfs/dbraw/zinc/25/67/76/344256776.db2.gz LCWIFCRKIPIMIQ-YUMQZZPRSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@H]1C[C@@H](C)N=C(N[C@H]2C[C@@H]2C)S1 165005298 344256783 /nfs/dbraw/zinc/25/67/83/344256783.db2.gz OGYBCHMUTFKNKV-KZVJFYERSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@H]1C[C@@H](C)SC(NC2CCC2)=N1 165005008 344256786 /nfs/dbraw/zinc/25/67/86/344256786.db2.gz LCWIFCRKIPIMIQ-JGVFFNPUSA-N 0 3 198.335 2.398 10 0 AEAEHN Cc1ccc(NC(=N)C2CC2)cn1 165079655 344257936 /nfs/dbraw/zinc/25/79/36/344257936.db2.gz YWNZSJAPKKOULQ-UHFFFAOYSA-N 0 3 175.235 2.189 10 0 AEAEHN CC1(c2nc(C3(N)CC3)cs2)CC1 165229556 344259986 /nfs/dbraw/zinc/25/99/86/344259986.db2.gz YGSYWFUWTLNITO-UHFFFAOYSA-N 0 3 194.303 2.142 10 0 AEAEHN NCc1ccc2ccccc2c1F 165312315 344261826 /nfs/dbraw/zinc/26/18/26/344261826.db2.gz ZWECIOAMZLEDKX-UHFFFAOYSA-N 0 3 175.206 2.438 10 0 AEAEHN CC[C@@H](NC)c1csc(C)n1 165322316 344261926 /nfs/dbraw/zinc/26/19/26/344261926.db2.gz HDEKHABFBCNDDX-SSDOTTSWSA-N 0 3 170.281 2.122 10 0 AEAEHN CC[C@H](NC)c1csc(C)n1 165322191 344261968 /nfs/dbraw/zinc/26/19/68/344261968.db2.gz HDEKHABFBCNDDX-ZETCQYMHSA-N 0 3 170.281 2.122 10 0 AEAEHN CC[C@@](C)(N)c1csc(C)n1 165323636 344262200 /nfs/dbraw/zinc/26/22/00/344262200.db2.gz ZILWQOVJJWSSKN-MRVPVSSYSA-N 0 3 170.281 2.035 10 0 AEAEHN CC[C@](C)(N)c1csc(C)n1 165323511 344262300 /nfs/dbraw/zinc/26/23/00/344262300.db2.gz ZILWQOVJJWSSKN-QMMMGPOBSA-N 0 3 170.281 2.035 10 0 AEAEHN CC[C@@H](N)c1csc(C2CC2)n1 165333688 344262396 /nfs/dbraw/zinc/26/23/96/344262396.db2.gz MAXGSBUTEASZMH-SSDOTTSWSA-N 0 3 182.292 2.430 10 0 AEAEHN CCn1nc(C)cc1[C@@H](N)C1CCC1 165351048 344262730 /nfs/dbraw/zinc/26/27/30/344262730.db2.gz GCPJNIJOWBZXFO-NSHDSACASA-N 0 3 193.294 2.011 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1csc(NC)n1 165419041 344263454 /nfs/dbraw/zinc/26/34/54/344263454.db2.gz ANUMQMJJLPNWPI-POYBYMJQSA-N 0 3 199.323 2.231 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1csc(NC)n1 165418665 344263505 /nfs/dbraw/zinc/26/35/05/344263505.db2.gz ANUMQMJJLPNWPI-SVRRBLITSA-N 0 3 199.323 2.231 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1csc(NC)n1 165418916 344263576 /nfs/dbraw/zinc/26/35/76/344263576.db2.gz ANUMQMJJLPNWPI-HTRCEHHLSA-N 0 3 199.323 2.231 10 0 AEAEHN CCC(N)(CC)c1cscn1 165429942 344264125 /nfs/dbraw/zinc/26/41/25/344264125.db2.gz AVGJMTKCVOXZDR-UHFFFAOYSA-N 0 3 170.281 2.117 10 0 AEAEHN C[C@H]1C[C@@H]1c1nc(C2(N)CC2)cs1 165597440 344266508 /nfs/dbraw/zinc/26/65/08/344266508.db2.gz RELJYKCPXSLOPJ-BQBZGAKWSA-N 0 3 194.303 2.214 10 0 AEAEHN C[C@@H]1C[C@@H]1c1nc(C2(N)CC2)cs1 165597315 344266605 /nfs/dbraw/zinc/26/66/05/344266605.db2.gz RELJYKCPXSLOPJ-RQJHMYQMSA-N 0 3 194.303 2.214 10 0 AEAEHN C[C@@H]1C[C@@H]1c1nc(C(C)(C)N)cs1 165611239 344266895 /nfs/dbraw/zinc/26/68/95/344266895.db2.gz VXQZHPCXOUZUJQ-RQJHMYQMSA-N 0 3 196.319 2.460 10 0 AEAEHN C[C@@H]1C[C@H]1c1nc(C(C)(C)N)cs1 165611501 344266902 /nfs/dbraw/zinc/26/69/02/344266902.db2.gz VXQZHPCXOUZUJQ-RNFRBKRXSA-N 0 3 196.319 2.460 10 0 AEAEHN C[C@H]1C[C@H]1c1nc(C2(N)CC2)cs1 165597686 344267029 /nfs/dbraw/zinc/26/70/29/344267029.db2.gz RELJYKCPXSLOPJ-NKWVEPMBSA-N 0 3 194.303 2.214 10 0 AEAEHN C[C@H]1C[C@H]1c1nc(C(C)(C)N)cs1 165611632 344267084 /nfs/dbraw/zinc/26/70/84/344267084.db2.gz VXQZHPCXOUZUJQ-NKWVEPMBSA-N 0 3 196.319 2.460 10 0 AEAEHN CC(C)(C)c1ccc([C@H](N)CN)s1 166069556 344274133 /nfs/dbraw/zinc/27/41/33/344274133.db2.gz NSOOSKSAHHWKNH-SSDOTTSWSA-N 0 3 198.335 2.004 10 0 AEAEHN CC(C)(C)c1ccc([C@@H](N)CO)s1 166252867 344277253 /nfs/dbraw/zinc/27/72/53/344277253.db2.gz QXJSKIRDCURIJT-ZETCQYMHSA-N 0 3 199.319 2.038 10 0 AEAEHN CC(C)(C)c1ccc([C@H](N)CO)s1 166252731 344277440 /nfs/dbraw/zinc/27/74/40/344277440.db2.gz QXJSKIRDCURIJT-SSDOTTSWSA-N 0 3 199.319 2.038 10 0 AEAEHN Cc1cc(NC(C)(C)C)c(CO)cn1 166283572 344277828 /nfs/dbraw/zinc/27/78/28/344277828.db2.gz CEIGMSLETHULTE-UHFFFAOYSA-N 0 3 194.278 2.093 10 0 AEAEHN Fc1ccc(Cl)c(C=C2CNC2)c1 166282542 344277902 /nfs/dbraw/zinc/27/79/02/344277902.db2.gz YNEGQLGFIALDEN-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN CC(C)N[C@H](C)c1cncc(F)c1 166299672 344278456 /nfs/dbraw/zinc/27/84/56/344278456.db2.gz KARXEGUVHMEUSQ-MRVPVSSYSA-N 0 3 182.242 2.280 10 0 AEAEHN CCCNc1ncc(CN)cc1Cl 166329671 344279619 /nfs/dbraw/zinc/27/96/19/344279619.db2.gz WDTZVEPSODIZBW-UHFFFAOYSA-N 0 3 199.685 2.016 10 0 AEAEHN CNCc1cccnc1NC(C)(C)C 166363394 344279872 /nfs/dbraw/zinc/27/98/72/344279872.db2.gz LMYMUFCOKCFPOV-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN Cc1cc(NC(C)(C)C)c(CN)cn1 166360175 344279938 /nfs/dbraw/zinc/27/99/38/344279938.db2.gz VXPVAPQIAMBHMZ-UHFFFAOYSA-N 0 3 193.294 2.059 10 0 AEAEHN CNCc1cc(NC(C)(C)C)ccn1 166360431 344280127 /nfs/dbraw/zinc/28/01/27/344280127.db2.gz GBXLYQGHWDDPRC-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CNCc1cccc(NC(C)(C)C)n1 166365394 344280225 /nfs/dbraw/zinc/28/02/25/344280225.db2.gz SADIFEPGWUAQPW-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@H](C(C)(C)C)C1 166446241 344282133 /nfs/dbraw/zinc/28/21/33/344282133.db2.gz DRRDLTBEWIMHIU-ONGXEEELSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)[C@@H]1CCN([C@@H]2CCCC2=O)C1 166452911 344282210 /nfs/dbraw/zinc/28/22/10/344282210.db2.gz FUVUJYRSFIAIRG-GHMZBOCLSA-N 0 3 195.306 2.086 10 0 AEAEHN CC(=O)[C@@H](C)N1CC[C@H](C(C)(C)C)C1 166446360 344282235 /nfs/dbraw/zinc/28/22/35/344282235.db2.gz DRRDLTBEWIMHIU-KOLCDFICSA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@H]1CCN([C@@H]2CCCCC2=O)C1 166460705 344282431 /nfs/dbraw/zinc/28/24/31/344282431.db2.gz GNFOIVJLZGNUCC-WDEREUQCSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC[C@@H]1CCN([C@@H]2CCCC2=O)C1 166465933 344282452 /nfs/dbraw/zinc/28/24/52/344282452.db2.gz RRDOXMAVIOPLPN-GHMZBOCLSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@H]1CCN([C@@H]2CCCCC2=O)C1 166460594 344282487 /nfs/dbraw/zinc/28/24/87/344282487.db2.gz GNFOIVJLZGNUCC-GHMZBOCLSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC[C@H]1CCN([C@@H]2CCCC2=O)C1 166466049 344282640 /nfs/dbraw/zinc/28/26/40/344282640.db2.gz RRDOXMAVIOPLPN-WDEREUQCSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@H](O)c1cnc2cc[nH]cc1-2 166479945 344282835 /nfs/dbraw/zinc/28/28/35/344282835.db2.gz AFCBWOSNGYGSKC-SNVBAGLBSA-N 0 3 176.219 2.006 10 0 AEAEHN CC[C@@H](O)c1c[nH]c2ccncc12 166479945 344282836 /nfs/dbraw/zinc/28/28/36/344282836.db2.gz AFCBWOSNGYGSKC-SNVBAGLBSA-N 0 3 176.219 2.006 10 0 AEAEHN CC[C@H](O)c1cnc2cc[nH]cc1-2 166479830 344283150 /nfs/dbraw/zinc/28/31/50/344283150.db2.gz AFCBWOSNGYGSKC-JTQLQIEISA-N 0 3 176.219 2.006 10 0 AEAEHN CC[C@H](O)c1c[nH]c2ccncc12 166479830 344283153 /nfs/dbraw/zinc/28/31/53/344283153.db2.gz AFCBWOSNGYGSKC-JTQLQIEISA-N 0 3 176.219 2.006 10 0 AEAEHN CC(C)Nc1cc(CN)c(Cl)cn1 166578073 344284986 /nfs/dbraw/zinc/28/49/86/344284986.db2.gz UFKDCVXIEILLOV-UHFFFAOYSA-N 0 3 199.685 2.014 10 0 AEAEHN CC[C@@H](N)c1cnc2ccccc2n1 167038627 344296046 /nfs/dbraw/zinc/29/60/46/344296046.db2.gz ZUNYWDDTGRUVTE-MRVPVSSYSA-N 0 3 187.246 2.040 10 0 AEAEHN CC[C@H](N)c1cnc2ccccc2n1 167038518 344296096 /nfs/dbraw/zinc/29/60/96/344296096.db2.gz ZUNYWDDTGRUVTE-QMMMGPOBSA-N 0 3 187.246 2.040 10 0 AEAEHN C[C@H]1C[C@H]1CNc1ccncc1 167124163 344297691 /nfs/dbraw/zinc/29/76/91/344297691.db2.gz PUPHFXSVERPCFS-IUCAKERBSA-N 0 3 162.236 2.150 10 0 AEAEHN C[C@H]1C[C@@H]1CNc1ccncc1 167123959 344297777 /nfs/dbraw/zinc/29/77/77/344297777.db2.gz PUPHFXSVERPCFS-DTWKUNHWSA-N 0 3 162.236 2.150 10 0 AEAEHN C[C@@H]1C[C@@H]1CNc1ccncc1 167123843 344297785 /nfs/dbraw/zinc/29/77/85/344297785.db2.gz PUPHFXSVERPCFS-RKDXNWHRSA-N 0 3 162.236 2.150 10 0 AEAEHN C[C@@H]1C[C@@H]1CNC1=NC(C)(C)CS1 167186976 344299643 /nfs/dbraw/zinc/29/96/43/344299643.db2.gz UWGWHFJZCMAPKE-HTQZYQBOSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1C[C@H]1CNC1=NC(C)(C)CS1 167187178 344299753 /nfs/dbraw/zinc/29/97/53/344299753.db2.gz UWGWHFJZCMAPKE-SFYZADRCSA-N 0 3 198.335 2.113 10 0 AEAEHN CC(C)(C)[C@H](N)C1=CCCCO1 167542725 344307681 /nfs/dbraw/zinc/30/76/81/344307681.db2.gz CBIJTYPPWHTAFS-SECBINFHSA-N 0 3 169.268 2.054 10 0 AEAEHN CC(C)(C)[C@@H](N)C1=CCCCO1 167542816 344307941 /nfs/dbraw/zinc/30/79/41/344307941.db2.gz CBIJTYPPWHTAFS-VIFPVBQESA-N 0 3 169.268 2.054 10 0 AEAEHN CO[C@@H](C)C[C@H]1NCc2ccccc21 167592106 344308616 /nfs/dbraw/zinc/30/86/16/344308616.db2.gz VQGLITHDLUIQCC-JOYOIKCWSA-N 0 3 191.274 2.256 10 0 AEAEHN CO[C@H](C)C[C@H]1NCc2ccccc21 167592225 344308708 /nfs/dbraw/zinc/30/87/08/344308708.db2.gz VQGLITHDLUIQCC-BXKDBHETSA-N 0 3 191.274 2.256 10 0 AEAEHN CO[C@H](C)C[C@@H]1NCc2ccccc21 167592445 344308856 /nfs/dbraw/zinc/30/88/56/344308856.db2.gz VQGLITHDLUIQCC-SKDRFNHKSA-N 0 3 191.274 2.256 10 0 AEAEHN CO[C@@H](C)C[C@@H]1NCc2ccccc21 167592332 344308913 /nfs/dbraw/zinc/30/89/13/344308913.db2.gz VQGLITHDLUIQCC-CABZTGNLSA-N 0 3 191.274 2.256 10 0 AEAEHN CCCC1Oc2ccccc2C1=O 167714035 344312339 /nfs/dbraw/zinc/31/23/39/344312339.db2.gz USLBIIYAVYSJTH-SNVBAGLBSA-N 0 3 176.215 2.430 10 0 AEAEHN CCCC1Oc2ccccc2C1=O 167714148 344312584 /nfs/dbraw/zinc/31/25/84/344312584.db2.gz USLBIIYAVYSJTH-JTQLQIEISA-N 0 3 176.215 2.430 10 0 AEAEHN NC1(C(=O)CC2CC2)CCCCC1 167884804 344315916 /nfs/dbraw/zinc/31/59/16/344315916.db2.gz BMNXLNIIXAVVHJ-UHFFFAOYSA-N 0 3 181.279 2.017 10 0 AEAEHN NC1(C(=O)C2CCC2)CCCCC1 167885500 344315974 /nfs/dbraw/zinc/31/59/74/344315974.db2.gz HDFSJOWLMZKCAK-UHFFFAOYSA-N 0 3 181.279 2.017 10 0 AEAEHN CC(C)(C)C(=O)C1(N)CCCCC1 167882059 344316122 /nfs/dbraw/zinc/31/61/22/344316122.db2.gz GLXWIEQBJSWECI-UHFFFAOYSA-N 0 3 183.295 2.263 10 0 AEAEHN CC[C@H](C)C(=O)C1(N)CCCCC1 167876865 344316241 /nfs/dbraw/zinc/31/62/41/344316241.db2.gz BSSFJWVINDKJEF-VIFPVBQESA-N 0 3 183.295 2.263 10 0 AEAEHN Cc1ccc([C@H](N)C2=CCCO2)cc1 168124200 344321286 /nfs/dbraw/zinc/32/12/86/344321286.db2.gz YLOHOLUBTWIEGR-LBPRGKRZSA-N 0 3 189.258 2.299 10 0 AEAEHN Cc1ccc([C@@H](N)C2=CCCO2)cc1 168124313 344321296 /nfs/dbraw/zinc/32/12/96/344321296.db2.gz YLOHOLUBTWIEGR-GFCCVEGCSA-N 0 3 189.258 2.299 10 0 AEAEHN N[C@H](C1=CCCO1)c1ccc(F)cc1 168121219 344321324 /nfs/dbraw/zinc/32/13/24/344321324.db2.gz JXZIEPFCVRSBOB-NSHDSACASA-N 0 3 193.221 2.130 10 0 AEAEHN N[C@@H](C1=CCCO1)c1ccc(F)cc1 168121326 344321370 /nfs/dbraw/zinc/32/13/70/344321370.db2.gz JXZIEPFCVRSBOB-LLVKDONJSA-N 0 3 193.221 2.130 10 0 AEAEHN Cc1ccccc1[C@@H](N)C1=CCCO1 168128699 344321684 /nfs/dbraw/zinc/32/16/84/344321684.db2.gz ZRFUFUQQYYQQEO-GFCCVEGCSA-N 0 3 189.258 2.299 10 0 AEAEHN Cc1ccccc1[C@H](N)C1=CCCO1 168128593 344321731 /nfs/dbraw/zinc/32/17/31/344321731.db2.gz ZRFUFUQQYYQQEO-LBPRGKRZSA-N 0 3 189.258 2.299 10 0 AEAEHN CC1([C@@H](N)C2=CCCO2)CCCC1 168383070 344329709 /nfs/dbraw/zinc/32/97/09/344329709.db2.gz VULHNXLYEBPOAG-JTQLQIEISA-N 0 3 181.279 2.198 10 0 AEAEHN COc1cc([C@@H](C)N(C)C)ccc1O 168385201 344329764 /nfs/dbraw/zinc/32/97/64/344329764.db2.gz BCGHNKWOPKQYPA-MRVPVSSYSA-N 0 3 195.262 2.023 10 0 AEAEHN CC1([C@H](N)C2=CCCO2)CCCC1 168382964 344329820 /nfs/dbraw/zinc/32/98/20/344329820.db2.gz VULHNXLYEBPOAG-SNVBAGLBSA-N 0 3 181.279 2.198 10 0 AEAEHN COc1cc([C@H](C)N(C)C)ccc1O 168385093 344329852 /nfs/dbraw/zinc/32/98/52/344329852.db2.gz BCGHNKWOPKQYPA-QMMMGPOBSA-N 0 3 195.262 2.023 10 0 AEAEHN CC1(Nc2cccc(N)n2)CCC1 168602369 344333321 /nfs/dbraw/zinc/33/33/21/344333321.db2.gz CQVFJCMSGJGTKA-UHFFFAOYSA-N 0 3 177.251 2.018 10 0 AEAEHN NC1(C(=O)CC2CCC2)CCCC1 168595774 344333524 /nfs/dbraw/zinc/33/35/24/344333524.db2.gz AYAVZOVHUSBFFH-UHFFFAOYSA-N 0 3 181.279 2.017 10 0 AEAEHN C[C@@H]1CCC[C@H](C(=O)C(C)(C)N)C1 168667849 344334597 /nfs/dbraw/zinc/33/45/97/344334597.db2.gz ULZNVLYKFQIHLJ-BDAKNGLRSA-N 0 3 183.295 2.119 10 0 AEAEHN C[C@H]1CCC[C@H](C(=O)C(C)(C)N)C1 168667939 344334648 /nfs/dbraw/zinc/33/46/48/344334648.db2.gz ULZNVLYKFQIHLJ-IUCAKERBSA-N 0 3 183.295 2.119 10 0 AEAEHN C[C@H]1CCC[C@@H](C(=O)C(C)(C)N)C1 168668125 344334654 /nfs/dbraw/zinc/33/46/54/344334654.db2.gz ULZNVLYKFQIHLJ-DTWKUNHWSA-N 0 3 183.295 2.119 10 0 AEAEHN C[C@@H]1CCC[C@@H](C(=O)C(C)(C)N)C1 168668033 344334720 /nfs/dbraw/zinc/33/47/20/344334720.db2.gz ULZNVLYKFQIHLJ-RKDXNWHRSA-N 0 3 183.295 2.119 10 0 AEAEHN CC1CCC(C(=O)C(C)(C)N)CC1 168680664 344335075 /nfs/dbraw/zinc/33/50/75/344335075.db2.gz ZMHAMQXMMSXSBH-UHFFFAOYSA-N 0 3 183.295 2.119 10 0 AEAEHN CC(C)(N)C(=O)C1CCCCCC1 168682028 344335085 /nfs/dbraw/zinc/33/50/85/344335085.db2.gz UNZMCUAJKXIJQQ-UHFFFAOYSA-N 0 3 183.295 2.263 10 0 AEAEHN CC1(C)CN=C(NC2CCC2)SC1 168748409 344335973 /nfs/dbraw/zinc/33/59/73/344335973.db2.gz LXDNZJZXCAQCRO-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H]1C[C@@H]1NC1=NCC(C)(C)CS1 168748963 344336207 /nfs/dbraw/zinc/33/62/07/344336207.db2.gz GYVIZHPSCPXXHG-YUMQZZPRSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1C[C@@H]1NC1=NCC(C)(C)CS1 168748866 344336251 /nfs/dbraw/zinc/33/62/51/344336251.db2.gz GYVIZHPSCPXXHG-SFYZADRCSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1C[C@H]1NC1=NCC(C)(C)CS1 168749056 344336299 /nfs/dbraw/zinc/33/62/99/344336299.db2.gz GYVIZHPSCPXXHG-HTQZYQBOSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H]1C[C@H]1NC1=NCC(C)(C)CS1 168749161 344336314 /nfs/dbraw/zinc/33/63/14/344336314.db2.gz GYVIZHPSCPXXHG-JGVFFNPUSA-N 0 3 198.335 2.113 10 0 AEAEHN CC[C@H](NC)c1coc(C)c1 168825588 344338280 /nfs/dbraw/zinc/33/82/80/344338280.db2.gz NCRCALAEYHYNDX-VIFPVBQESA-N 0 3 153.225 2.259 10 0 AEAEHN CC[C@@H](NC)c1coc(C)c1 168825684 344338298 /nfs/dbraw/zinc/33/82/98/344338298.db2.gz NCRCALAEYHYNDX-SECBINFHSA-N 0 3 153.225 2.259 10 0 AEAEHN CC(C)Nc1ccc(CN)c(F)c1 168976390 344341519 /nfs/dbraw/zinc/34/15/19/344341519.db2.gz MUPFQPCWMIWCND-UHFFFAOYSA-N 0 3 182.242 2.105 10 0 AEAEHN CN[C@@H](C)C(=O)C1CCCCCC1 169093375 344344680 /nfs/dbraw/zinc/34/46/80/344344680.db2.gz OWMRQEZMYNFHTO-VIFPVBQESA-N 0 3 183.295 2.134 10 0 AEAEHN CN[C@H](C)C(=O)C1CCCCCC1 169093451 344344788 /nfs/dbraw/zinc/34/47/88/344344788.db2.gz OWMRQEZMYNFHTO-SECBINFHSA-N 0 3 183.295 2.134 10 0 AEAEHN CN[C@H](C)c1c(C)oc(C)c1C 169176474 344347752 /nfs/dbraw/zinc/34/77/52/344347752.db2.gz ZWMSSKYAQXBWOD-SSDOTTSWSA-N 0 3 167.252 2.485 10 0 AEAEHN CN[C@@H](C)c1c(C)oc(C)c1C 169176557 344347791 /nfs/dbraw/zinc/34/77/91/344347791.db2.gz ZWMSSKYAQXBWOD-ZETCQYMHSA-N 0 3 167.252 2.485 10 0 AEAEHN Cc1sc2c(c1C)CNCC2 169180036 344347859 /nfs/dbraw/zinc/34/78/59/344347859.db2.gz MIBUNYFPYOXIFZ-UHFFFAOYSA-N 0 3 167.277 2.011 10 0 AEAEHN CNC(C)(C)C(=O)C1CCC(C)CC1 169196052 344348192 /nfs/dbraw/zinc/34/81/92/344348192.db2.gz QUZQUZFBUGQESQ-UHFFFAOYSA-N 0 3 197.322 2.380 10 0 AEAEHN CCN[C@H](C)c1coc(C)c1 169188762 344348358 /nfs/dbraw/zinc/34/83/58/344348358.db2.gz XNOIKIRTECTWMQ-MRVPVSSYSA-N 0 3 153.225 2.259 10 0 AEAEHN CNC(C)(C)C(=O)c1cccc(C)c1 169187153 344348374 /nfs/dbraw/zinc/34/83/74/344348374.db2.gz PDHKARGREQGPEL-UHFFFAOYSA-N 0 3 191.274 2.176 10 0 AEAEHN CCN[C@@H](C)c1coc(C)c1 169188678 344348502 /nfs/dbraw/zinc/34/85/02/344348502.db2.gz XNOIKIRTECTWMQ-QMMMGPOBSA-N 0 3 153.225 2.259 10 0 AEAEHN Cc1cc(Cl)cc2c1CCNC2 169725051 344351383 /nfs/dbraw/zinc/35/13/83/344351383.db2.gz GLQJTTGUYZAKTL-UHFFFAOYSA-N 0 3 181.666 2.294 10 0 AEAEHN CCN(CC)Cc1ccoc1 199010680 344360755 /nfs/dbraw/zinc/36/07/55/344360755.db2.gz HHMTZQFYJUMBIP-UHFFFAOYSA-N 0 3 153.225 2.121 10 0 AEAEHN CC(C)N1CCC[C@@](C)(F)C1 200729189 344363476 /nfs/dbraw/zinc/36/34/76/344363476.db2.gz UMTAAXWXVJOWOS-SECBINFHSA-N 0 3 159.248 2.219 10 0 AEAEHN CC(C)N1CCC[C@](C)(F)C1 200729229 344363443 /nfs/dbraw/zinc/36/34/43/344363443.db2.gz UMTAAXWXVJOWOS-VIFPVBQESA-N 0 3 159.248 2.219 10 0 AEAEHN C[C@@H](c1ccccc1)N1C=NCC1 204374296 344369619 /nfs/dbraw/zinc/36/96/19/344369619.db2.gz RUWQGMPWAFOMDC-JTQLQIEISA-N 0 3 174.247 2.092 10 0 AEAEHN O=Cc1ccc([C@H]2CCCCN2)s1 205426612 344371649 /nfs/dbraw/zinc/37/16/49/344371649.db2.gz ROCHNAYAOYVAFU-SECBINFHSA-N 0 3 195.287 2.375 10 0 AEAEHN O=Cc1ccc([C@@H]2CCCCN2)s1 205426596 344371694 /nfs/dbraw/zinc/37/16/94/344371694.db2.gz ROCHNAYAOYVAFU-VIFPVBQESA-N 0 3 195.287 2.375 10 0 AEAEHN CCc1ccc([C@@H]2C=CNC=N2)s1 205577221 344374011 /nfs/dbraw/zinc/37/40/11/344374011.db2.gz IACXSDOQNMDZGJ-VIFPVBQESA-N 0 3 192.287 2.497 10 0 AEAEHN CCc1ccc([C@H]2C=CNC=N2)s1 205577236 344374017 /nfs/dbraw/zinc/37/40/17/344374017.db2.gz IACXSDOQNMDZGJ-SECBINFHSA-N 0 3 192.287 2.497 10 0 AEAEHN CNCc1cc(Cl)cc(F)c1F 214667034 344382879 /nfs/dbraw/zinc/38/28/79/344382879.db2.gz FFCOJZYLYSBLHN-UHFFFAOYSA-N 0 3 191.608 2.338 10 0 AEAEHN CC1(OC2CCCCCC2)CNC1 214825232 344383112 /nfs/dbraw/zinc/38/31/12/344383112.db2.gz MHKLZGDOQXUTPN-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN C[C@H]1CCC[C@H]1NC1=NC[C@@H](C)S1 216237792 344396056 /nfs/dbraw/zinc/39/60/56/344396056.db2.gz TUIRIJUYUMRVQN-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CCC[C@@H]1NC1=NC[C@@H](C)S1 216237838 344396210 /nfs/dbraw/zinc/39/62/10/344396210.db2.gz TUIRIJUYUMRVQN-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)NCC=C(Cl)Cl 216504478 344398233 /nfs/dbraw/zinc/39/82/33/344398233.db2.gz SVQOISGGKZORCR-UHFFFAOYSA-N 0 3 168.067 2.303 10 0 AEAEHN CC(=O)[C@@H](C)N1CCC[C@@H](C)CC1 216825280 344399850 /nfs/dbraw/zinc/39/98/50/344399850.db2.gz JXLFWXJVENGTMQ-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@@H]1CO[C@H](c2cccs2)[C@@H](C)N1 217772462 344406063 /nfs/dbraw/zinc/40/60/63/344406063.db2.gz MVYZJYKMMXRXFX-MRTMQBJTSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@@H](C)O[C@@H]1c1cccs1 217771951 344406072 /nfs/dbraw/zinc/40/60/72/344406072.db2.gz PLKCGGDTSJPKOO-WEDXCCLWSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1CN[C@H](C)[C@@H](c2cccs2)O1 217772137 344406081 /nfs/dbraw/zinc/40/60/81/344406081.db2.gz PLKCGGDTSJPKOO-MRTMQBJTSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1CO[C@@H](c2cccs2)[C@@H](C)N1 217772293 344406099 /nfs/dbraw/zinc/40/60/99/344406099.db2.gz MVYZJYKMMXRXFX-NQMVMOMDSA-N 0 3 197.303 2.186 10 0 AEAEHN Cc1ccc([C@@H]2NCC2(C)C)o1 218707632 344415243 /nfs/dbraw/zinc/41/52/43/344415243.db2.gz FTJYRMUPZXCCAA-VIFPVBQESA-N 0 3 165.236 2.259 10 0 AEAEHN Cc1ccc([C@H]2NCC2(C)C)o1 218707532 344415305 /nfs/dbraw/zinc/41/53/05/344415305.db2.gz FTJYRMUPZXCCAA-SECBINFHSA-N 0 3 165.236 2.259 10 0 AEAEHN Cc1sccc1[C@@H]1C=CNC=N1 218956132 344418798 /nfs/dbraw/zinc/41/87/98/344418798.db2.gz LIHVXSVZFPAUHN-VIFPVBQESA-N 0 3 178.260 2.243 10 0 AEAEHN CC1(C)CN[C@H]1c1ccccc1F 218955708 344418845 /nfs/dbraw/zinc/41/88/45/344418845.db2.gz YPNXPNIEROQSJZ-JTQLQIEISA-N 0 3 179.238 2.496 10 0 AEAEHN CC1(C)CN[C@@H]1c1ccccc1F 218955673 344418871 /nfs/dbraw/zinc/41/88/71/344418871.db2.gz YPNXPNIEROQSJZ-SNVBAGLBSA-N 0 3 179.238 2.496 10 0 AEAEHN Cc1sccc1[C@H]1C=CNC=N1 218956173 344418875 /nfs/dbraw/zinc/41/88/75/344418875.db2.gz LIHVXSVZFPAUHN-SECBINFHSA-N 0 3 178.260 2.243 10 0 AEAEHN Cc1cccc(-c2nc(N)[nH]c2C)c1 219288254 344421903 /nfs/dbraw/zinc/42/19/03/344421903.db2.gz WFARJRRAXQTLCL-UHFFFAOYSA-N 0 3 187.246 2.276 10 0 AEAEHN COc1ccccc1[C@H]1NCC1(C)C 219329136 344422537 /nfs/dbraw/zinc/42/25/37/344422537.db2.gz JAAUKBZQLOHNMH-LLVKDONJSA-N 0 3 191.274 2.366 10 0 AEAEHN COc1ccccc1[C@@H]1NCC1(C)C 219329160 344422574 /nfs/dbraw/zinc/42/25/74/344422574.db2.gz JAAUKBZQLOHNMH-NSHDSACASA-N 0 3 191.274 2.366 10 0 AEAEHN Cc1nc(N)n(C)c1-c1cccs1 219383519 344423016 /nfs/dbraw/zinc/42/30/16/344423016.db2.gz DEBVVVSKCJBSCM-UHFFFAOYSA-N 0 3 193.275 2.039 10 0 AEAEHN CN1CCC[C@@H](C(F)(F)F)CC1 219511602 344424659 /nfs/dbraw/zinc/42/46/59/344424659.db2.gz OMFWZZATQRIJBT-SSDOTTSWSA-N 0 3 181.201 2.281 10 0 AEAEHN CN1CCCC[C@@H](C(F)(F)F)C1 219511317 344424700 /nfs/dbraw/zinc/42/47/00/344424700.db2.gz LEKBAQMMFLJQAQ-SSDOTTSWSA-N 0 3 181.201 2.281 10 0 AEAEHN Cc1cc(Cl)c(CN)c(Cl)n1 219583910 344425578 /nfs/dbraw/zinc/42/55/78/344425578.db2.gz WJAJBPKXVDDRLX-UHFFFAOYSA-N 0 3 191.061 2.156 10 0 AEAEHN NCc1c(F)cc(F)cc1Cl 219576497 344425738 /nfs/dbraw/zinc/42/57/38/344425738.db2.gz VPVDKGUUBKZISU-UHFFFAOYSA-N 0 3 177.581 2.077 10 0 AEAEHN CC[C@H](C(C)C)N1CCC(=O)[C@@H](C)C1 219739960 344427534 /nfs/dbraw/zinc/42/75/34/344427534.db2.gz CSSQBWTXQUKEMU-WDEREUQCSA-N 0 3 197.322 2.332 10 0 AEAEHN COc1cccc2c1CNCC2(C)C 219755900 344427571 /nfs/dbraw/zinc/42/75/71/344427571.db2.gz LSAKWEPOFQPXEB-UHFFFAOYSA-N 0 3 191.274 2.076 10 0 AEAEHN CC[C@@H](C(C)C)N1CCC(=O)[C@@H](C)C1 219739883 344427632 /nfs/dbraw/zinc/42/76/32/344427632.db2.gz CSSQBWTXQUKEMU-QWRGUYRKSA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@H](C)[C@H](C)N1CCC(=O)[C@@H](C)C1 219739263 344427672 /nfs/dbraw/zinc/42/76/72/344427672.db2.gz YQQLCBUKYOHHRA-DCAQKATOSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N1c1cccc(N)n1 219799321 344428263 /nfs/dbraw/zinc/42/82/63/344428263.db2.gz HSQLIRHUAYMODU-RKDXNWHRSA-N 0 3 191.278 2.041 10 0 AEAEHN C[C@H]1CC[C@@H](C)N1c1cccc(N)n1 219799168 344428293 /nfs/dbraw/zinc/42/82/93/344428293.db2.gz HSQLIRHUAYMODU-DTORHVGOSA-N 0 3 191.278 2.041 10 0 AEAEHN CC(C)[C@@H](C)N1CCC(=O)C[C@@H]1C 219795083 344428340 /nfs/dbraw/zinc/42/83/40/344428340.db2.gz MLERLFKZVYFSDW-VHSXEESVSA-N 0 3 183.295 2.084 10 0 AEAEHN C[C@H]1CC[C@H](C)N1c1cccc(N)n1 219799244 344428467 /nfs/dbraw/zinc/42/84/67/344428467.db2.gz HSQLIRHUAYMODU-IUCAKERBSA-N 0 3 191.278 2.041 10 0 AEAEHN C/C=C/CNCc1cccs1 220130391 344430522 /nfs/dbraw/zinc/43/05/22/344430522.db2.gz CNZVNUSPHBIBOK-NSCUHMNNSA-N 0 3 167.277 2.414 10 0 AEAEHN C/C=C/CNCc1cccc(OC)c1 220130152 344430587 /nfs/dbraw/zinc/43/05/87/344430587.db2.gz CHBSFAFAYUAJEB-ONEGZZNKSA-N 0 3 191.274 2.361 10 0 AEAEHN CC(C)N1CCOC[C@@H]1C(C)(C)C 220394905 344432240 /nfs/dbraw/zinc/43/22/40/344432240.db2.gz VXWBLTDOFPBXJI-SNVBAGLBSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)N1CCOC[C@H]1C(C)(C)C 220394972 344432261 /nfs/dbraw/zinc/43/22/61/344432261.db2.gz VXWBLTDOFPBXJI-JTQLQIEISA-N 0 3 185.311 2.142 10 0 AEAEHN c1cc(N[C@@H]2CCCSC2)ccn1 220793055 344435188 /nfs/dbraw/zinc/43/51/88/344435188.db2.gz HKFVARLCOUDSAU-SNVBAGLBSA-N 0 3 194.303 2.389 10 0 AEAEHN c1cc(N[C@H]2CCCSC2)ccn1 220793109 344435211 /nfs/dbraw/zinc/43/52/11/344435211.db2.gz HKFVARLCOUDSAU-JTQLQIEISA-N 0 3 194.303 2.389 10 0 AEAEHN c1cc(NC2CCSCC2)ccn1 220796587 344435467 /nfs/dbraw/zinc/43/54/67/344435467.db2.gz DLMBUNUSZVYWAE-UHFFFAOYSA-N 0 3 194.303 2.389 10 0 AEAEHN Cc1cccc(CN)c1NC1CC1 220898253 344436358 /nfs/dbraw/zinc/43/63/58/344436358.db2.gz QRWOBXOXZDQTTL-UHFFFAOYSA-N 0 3 176.263 2.028 10 0 AEAEHN Cc1cccc(CN)c1NC(C)C 220898163 344436437 /nfs/dbraw/zinc/43/64/37/344436437.db2.gz NHGQBYVWEADZQZ-UHFFFAOYSA-N 0 3 178.279 2.274 10 0 AEAEHN CNCc1occ2ccccc12 221242915 344440735 /nfs/dbraw/zinc/44/07/35/344440735.db2.gz YDUJKXRQJVNSDJ-UHFFFAOYSA-N 0 3 161.204 2.152 10 0 AEAEHN CC(C)C(=O)CN1CC[C@H](C)C[C@@H]1C 221709714 344445584 /nfs/dbraw/zinc/44/55/84/344445584.db2.gz KPXMDPPGADTGGD-QWRGUYRKSA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@H](C)CN1CCC(=O)[C@@H](C)[C@@H]1C 221940822 344447458 /nfs/dbraw/zinc/44/74/58/344447458.db2.gz GEUJVVZZPYSHBV-DCAQKATOSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H]1CC[C@H]([C@@H](N)c2cccs2)O1 222277306 344451121 /nfs/dbraw/zinc/45/11/21/344451121.db2.gz APBDQVYHODPFNC-NQMVMOMDSA-N 0 3 197.303 2.315 10 0 AEAEHN C[C@@H]1CC[C@@H]([C@@H](N)c2cccs2)O1 222277201 344451238 /nfs/dbraw/zinc/45/12/38/344451238.db2.gz APBDQVYHODPFNC-KHQFGBGNSA-N 0 3 197.303 2.315 10 0 AEAEHN NCc1cc2ccccc2cc1F 222795197 344454468 /nfs/dbraw/zinc/45/44/68/344454468.db2.gz NCCKBAMSNZFZJZ-UHFFFAOYSA-N 0 3 175.206 2.438 10 0 AEAEHN CN(C)Cc1cc(F)cc(F)c1 223038260 344455996 /nfs/dbraw/zinc/45/59/96/344455996.db2.gz GAMAJQPBGDRENN-UHFFFAOYSA-N 0 3 171.190 2.026 10 0 AEAEHN CCC[C@@H](N)c1cnc(C)s1 223282883 344458591 /nfs/dbraw/zinc/45/85/91/344458591.db2.gz HXANXLBOILXKAT-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN CCC[C@H](N)c1cnc(C)s1 223282947 344458616 /nfs/dbraw/zinc/45/86/16/344458616.db2.gz HXANXLBOILXKAT-ZETCQYMHSA-N 0 3 170.281 2.251 10 0 AEAEHN CC1C(=O)C[C@@H]2C(C1=O)C2(C)C 223656239 344461263 /nfs/dbraw/zinc/46/12/63/344461263.db2.gz USBSXTMWDLDVOF-NTSWFWBYSA-N 0 3 166.220 2.063 10 0 AEAEHN CC1C(=O)C[C@H]2C(C1=O)C2(C)C 223656302 344461301 /nfs/dbraw/zinc/46/13/01/344461301.db2.gz USBSXTMWDLDVOF-RITPCOANSA-N 0 3 166.220 2.063 10 0 AEAEHN CC1C(=O)C[C@H]2C(C1=O)C2(C)C 223656368 344461340 /nfs/dbraw/zinc/46/13/40/344461340.db2.gz USBSXTMWDLDVOF-WDSKDSINSA-N 0 3 166.220 2.063 10 0 AEAEHN CC1C(=O)C[C@@H]2C(C1=O)C2(C)C 223656183 344461513 /nfs/dbraw/zinc/46/15/13/344461513.db2.gz USBSXTMWDLDVOF-PHDIDXHHSA-N 0 3 166.220 2.063 10 0 AEAEHN Cc1ccc([C@@H](F)CN)cc1F 224030024 344465131 /nfs/dbraw/zinc/46/51/31/344465131.db2.gz PGXRDVRRSTUINF-VIFPVBQESA-N 0 3 171.190 2.103 10 0 AEAEHN Cc1ccc([C@@](C)(F)CN)cc1F 224031209 344465453 /nfs/dbraw/zinc/46/54/53/344465453.db2.gz ONCSCVGGVZLHNS-JTQLQIEISA-N 0 3 185.217 2.278 10 0 AEAEHN Cc1ccc([C@](C)(F)CN)cc1F 224031263 344465477 /nfs/dbraw/zinc/46/54/77/344465477.db2.gz ONCSCVGGVZLHNS-SNVBAGLBSA-N 0 3 185.217 2.278 10 0 AEAEHN Cc1ccc([C@H](F)CN)cc1F 224030077 344465487 /nfs/dbraw/zinc/46/54/87/344465487.db2.gz PGXRDVRRSTUINF-SECBINFHSA-N 0 3 171.190 2.103 10 0 AEAEHN CCc1ccc(CN2CCCC2)nc1 224109143 344466250 /nfs/dbraw/zinc/46/62/50/344466250.db2.gz ZQGXQUXAHHBYQV-UHFFFAOYSA-N 0 3 190.290 2.240 10 0 AEAEHN CCC(=O)[C@H](C)N1CC[C@@H](C)C[C@@H]1C 224483540 344469775 /nfs/dbraw/zinc/46/97/75/344469775.db2.gz TYAAXAMJMHOCKO-VWYCJHECSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)[C@H](C)N1CCC[C@@H](C)[C@@H]1C 224711185 344472376 /nfs/dbraw/zinc/47/23/76/344472376.db2.gz HKBXDGCFZKDCOE-UTLUCORTSA-N 0 3 183.295 2.084 10 0 AEAEHN CC(C)c1cccc(CN)c1F 225304136 344479544 /nfs/dbraw/zinc/47/95/44/344479544.db2.gz HYYVEXOQFAMCHQ-UHFFFAOYSA-N 0 3 167.227 2.408 10 0 AEAEHN C[C@H]1CCN(CC(=O)C2CC2)[C@@H](C)C1 225504243 344482277 /nfs/dbraw/zinc/48/22/77/344482277.db2.gz RCVLQWNIXSAJOI-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1C[C@H](C)CCN1CC(=O)C1CC1 225504211 344482285 /nfs/dbraw/zinc/48/22/85/344482285.db2.gz RCVLQWNIXSAJOI-ZJUUUORDSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1C[C@@H]([C@@H](F)CN)CC[C@H]1C 225674402 344483897 /nfs/dbraw/zinc/48/38/97/344483897.db2.gz CRZKZJUFEJQUDC-KATARQTJSA-N 0 3 173.275 2.356 10 0 AEAEHN C[C@@H]1CCC[C@H]([C@@H](F)CN)C1 225676246 344483902 /nfs/dbraw/zinc/48/39/02/344483902.db2.gz JTVPGLGXIUDTPH-VGMNWLOBSA-N 0 3 159.248 2.110 10 0 AEAEHN C[C@@H]1CCC[C@@H]([C@@H](F)CN)C1 225676192 344483956 /nfs/dbraw/zinc/48/39/56/344483956.db2.gz JTVPGLGXIUDTPH-HLTSFMKQSA-N 0 3 159.248 2.110 10 0 AEAEHN CC[C@@H]1CCCC[C@@H]1[C@@H](F)CN 225674630 344483983 /nfs/dbraw/zinc/48/39/83/344483983.db2.gz AQUVGPUSYXPDBX-UTLUCORTSA-N 0 3 173.275 2.500 10 0 AEAEHN CC[C@@H]1CCCC[C@H]1[C@@H](F)CN 225674684 344484130 /nfs/dbraw/zinc/48/41/30/344484130.db2.gz AQUVGPUSYXPDBX-BBBLOLIVSA-N 0 3 173.275 2.500 10 0 AEAEHN C[C@H]1CC([C@@H](F)CN)C[C@H](C)C1 225676524 344484143 /nfs/dbraw/zinc/48/41/43/344484143.db2.gz WXTRHRPGWJAQHO-MRTMQBJTSA-N 0 3 173.275 2.356 10 0 AEAEHN C[C@@H]1CCC[C@@H]([C@@](C)(F)CN)C1 225700277 344484362 /nfs/dbraw/zinc/48/43/62/344484362.db2.gz CGTXDAKYETZZTA-BBBLOLIVSA-N 0 3 173.275 2.500 10 0 AEAEHN C[C@@H]1CCC[C@H]([C@@](C)(F)CN)C1 225700332 344484391 /nfs/dbraw/zinc/48/43/91/344484391.db2.gz CGTXDAKYETZZTA-UTLUCORTSA-N 0 3 173.275 2.500 10 0 AEAEHN CC(C)=CCN1CCC([C@H](C)O)CC1 225785452 344486708 /nfs/dbraw/zinc/48/67/08/344486708.db2.gz MVKUVVAOPAERNP-NSHDSACASA-N 0 3 197.322 2.045 10 0 AEAEHN CC(C)=CCN1CCC([C@@H](C)O)CC1 225785429 344486854 /nfs/dbraw/zinc/48/68/54/344486854.db2.gz MVKUVVAOPAERNP-LLVKDONJSA-N 0 3 197.322 2.045 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@H](C)CC1CC1 226134429 344492334 /nfs/dbraw/zinc/49/23/34/344492334.db2.gz XXZMAYNHRLHLJW-ZJUUUORDSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@H]1CN([C@H](C)CC2CC2)CCC1=O 226134252 344492346 /nfs/dbraw/zinc/49/23/46/344492346.db2.gz RUJKYYAQALNGQS-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN CC(C)C[C@@H]1CNC[C@H](C(C)(C)C)O1 226186042 344494229 /nfs/dbraw/zinc/49/42/29/344494229.db2.gz JLAGAEQOKMOUAK-GHMZBOCLSA-N 0 3 199.338 2.436 10 0 AEAEHN CC(C)C[C@H]1CNC[C@@H](C(C)(C)C)O1 226186031 344494297 /nfs/dbraw/zinc/49/42/97/344494297.db2.gz JLAGAEQOKMOUAK-QWRGUYRKSA-N 0 3 199.338 2.436 10 0 AEAEHN CC(C)C[C@H]1CNC[C@H](C(C)(C)C)O1 226186050 344494408 /nfs/dbraw/zinc/49/44/08/344494408.db2.gz JLAGAEQOKMOUAK-WDEREUQCSA-N 0 3 199.338 2.436 10 0 AEAEHN CC(C)C[C@@H]1CNC[C@@H](C(C)(C)C)O1 226186022 344494413 /nfs/dbraw/zinc/49/44/13/344494413.db2.gz JLAGAEQOKMOUAK-MNOVXSKESA-N 0 3 199.338 2.436 10 0 AEAEHN CC[C@@H]1O[C@@H](CC(C)C)CN[C@@H]1C 226186890 344494643 /nfs/dbraw/zinc/49/46/43/344494643.db2.gz DHRATHJJTRBCDP-VWYCJHECSA-N 0 3 185.311 2.188 10 0 AEAEHN CC[C@@H]1O[C@H](CC(C)C)CN[C@@H]1C 226186904 344494663 /nfs/dbraw/zinc/49/46/63/344494663.db2.gz DHRATHJJTRBCDP-MXWKQRLJSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@H]1CCN1[C@H](C)c1ccccc1N 226292978 344498099 /nfs/dbraw/zinc/49/80/99/344498099.db2.gz VHCJVSIYQMGOLC-VHSXEESVSA-N 0 3 190.290 2.424 10 0 AEAEHN CCC(=O)[C@H](C)N1C[C@@H](C)CC[C@@H]1C 226400800 344501577 /nfs/dbraw/zinc/50/15/77/344501577.db2.gz TZHZRMOBRDRQGL-DCAQKATOSA-N 0 3 197.322 2.474 10 0 AEAEHN CC[C@@H]1Oc2cc(F)c(C)cc2[C@@H]1N 226426932 344502553 /nfs/dbraw/zinc/50/25/53/344502553.db2.gz UAKORPLVRSLPSM-ONGXEEELSA-N 0 3 195.237 2.305 10 0 AEAEHN CC[C@@H]1Oc2cc(F)c(C)cc2[C@H]1N 226426940 344502580 /nfs/dbraw/zinc/50/25/80/344502580.db2.gz UAKORPLVRSLPSM-GXSJLCMTSA-N 0 3 195.237 2.305 10 0 AEAEHN CN[C@@H]1CCOc2cc(F)c(C)cc21 226427177 344502617 /nfs/dbraw/zinc/50/26/17/344502617.db2.gz NYQHWJUSTNZVRG-SNVBAGLBSA-N 0 3 195.237 2.177 10 0 AEAEHN Cc1cc2c(cc1F)OC(C)C2=O 226426697 344502697 /nfs/dbraw/zinc/50/26/97/344502697.db2.gz RUKPFIVVSSZRFN-LURJTMIESA-N 0 3 180.178 2.098 10 0 AEAEHN CN[C@H]1CCOc2cc(F)c(C)cc21 226427180 344502706 /nfs/dbraw/zinc/50/27/06/344502706.db2.gz NYQHWJUSTNZVRG-JTQLQIEISA-N 0 3 195.237 2.177 10 0 AEAEHN CC[C@H]1Oc2cc(F)c(C)cc2[C@@H]1N 226426936 344502710 /nfs/dbraw/zinc/50/27/10/344502710.db2.gz UAKORPLVRSLPSM-KOLCDFICSA-N 0 3 195.237 2.305 10 0 AEAEHN Cc1cc2c(cc1F)OC(C)C2=O 226426699 344502806 /nfs/dbraw/zinc/50/28/06/344502806.db2.gz RUKPFIVVSSZRFN-ZCFIWIBFSA-N 0 3 180.178 2.098 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@@H]1CC=CCC1 226430585 344502812 /nfs/dbraw/zinc/50/28/12/344502812.db2.gz LYFOYMZHGCAKMZ-WDEREUQCSA-N 0 3 193.290 2.149 10 0 AEAEHN C[C@@H]1CC(=O)CCN1[C@@H]1CC=CCC1 226430582 344502841 /nfs/dbraw/zinc/50/28/41/344502841.db2.gz LYFOYMZHGCAKMZ-GHMZBOCLSA-N 0 3 193.290 2.149 10 0 AEAEHN CC[C@H]1Oc2cc(F)c(C)cc2[C@H]1N 226426945 344502884 /nfs/dbraw/zinc/50/28/84/344502884.db2.gz UAKORPLVRSLPSM-MWLCHTKSSA-N 0 3 195.237 2.305 10 0 AEAEHN CC(C)C(=O)[C@]1(N)CCC[C@@H](C)C1 226462729 344503492 /nfs/dbraw/zinc/50/34/92/344503492.db2.gz BFCCSLVWFOKUMH-KOLCDFICSA-N 0 3 183.295 2.119 10 0 AEAEHN CCCC(=O)[C@]1(N)CCC[C@@H](C)C1 226463681 344503534 /nfs/dbraw/zinc/50/35/34/344503534.db2.gz BUEKWRWTPYQCKO-KOLCDFICSA-N 0 3 183.295 2.263 10 0 AEAEHN CC(C)C(=O)[C@@]1(N)CCC[C@@H](C)C1 226462725 344503539 /nfs/dbraw/zinc/50/35/39/344503539.db2.gz BFCCSLVWFOKUMH-MWLCHTKSSA-N 0 3 183.295 2.119 10 0 AEAEHN CC(C)C(=O)[C@@]1(N)CCC[C@H](C)C1 226462734 344503571 /nfs/dbraw/zinc/50/35/71/344503571.db2.gz BFCCSLVWFOKUMH-GXSJLCMTSA-N 0 3 183.295 2.119 10 0 AEAEHN CCCC(=O)[C@@]1(N)CCC[C@H](C)C1 226463685 344503630 /nfs/dbraw/zinc/50/36/30/344503630.db2.gz BUEKWRWTPYQCKO-GXSJLCMTSA-N 0 3 183.295 2.263 10 0 AEAEHN CCCC(=O)[C@@]1(N)CCC[C@@H](C)C1 226463678 344503645 /nfs/dbraw/zinc/50/36/45/344503645.db2.gz BUEKWRWTPYQCKO-MWLCHTKSSA-N 0 3 183.295 2.263 10 0 AEAEHN CCCC(=O)[C@]1(N)CCC[C@H](C)C1 226463688 344503651 /nfs/dbraw/zinc/50/36/51/344503651.db2.gz BUEKWRWTPYQCKO-ONGXEEELSA-N 0 3 183.295 2.263 10 0 AEAEHN CC(C)C(=O)[C@]1(N)CCC[C@H](C)C1 226462738 344503883 /nfs/dbraw/zinc/50/38/83/344503883.db2.gz BFCCSLVWFOKUMH-ONGXEEELSA-N 0 3 183.295 2.119 10 0 AEAEHN CC[C@@H](N)C(=O)C1CCC(C)CC1 226542120 344506398 /nfs/dbraw/zinc/50/63/98/344506398.db2.gz QYOBZUBDHDFIPO-UDNWOFFPSA-N 0 3 183.295 2.119 10 0 AEAEHN CC[C@H](N)C(=O)C1CCC(C)CC1 226542127 344506404 /nfs/dbraw/zinc/50/64/04/344506404.db2.gz QYOBZUBDHDFIPO-RTBKNWGFSA-N 0 3 183.295 2.119 10 0 AEAEHN C[C@H]1CCC[C@@]12NC[C@@H](C)CS2 226588206 344507236 /nfs/dbraw/zinc/50/72/36/344507236.db2.gz PGKIDXBXIGVAFP-UTLUCORTSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@@]2(CCC[C@H]2C)SC1 226588201 344507254 /nfs/dbraw/zinc/50/72/54/344507254.db2.gz PGKIDXBXIGVAFP-BBBLOLIVSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CC[C@@]2(C1)NC[C@@H](C)CS2 226590750 344507774 /nfs/dbraw/zinc/50/77/74/344507774.db2.gz OOWNWMJWAXKIJA-IVZWLZJFSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@@]2(CC[C@@H](C)C2)SC1 226590756 344507833 /nfs/dbraw/zinc/50/78/33/344507833.db2.gz OOWNWMJWAXKIJA-BBBLOLIVSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@]2(CC[C@@H](C)C2)SC1 226590744 344507874 /nfs/dbraw/zinc/50/78/74/344507874.db2.gz OOWNWMJWAXKIJA-OPRDCNLKSA-N 0 3 185.336 2.475 10 0 AEAEHN CC[C@@H]1CNC[C@@](C)([C@H](C)CC)O1 226634390 344509116 /nfs/dbraw/zinc/50/91/16/344509116.db2.gz RKENEFZWGWQDCH-MXWKQRLJSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@](C)([C@H](C)CC)O1 226634383 344509163 /nfs/dbraw/zinc/50/91/63/344509163.db2.gz RKENEFZWGWQDCH-GMTAPVOTSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CC[C@@]2(CNC[C@@H](CC)O2)C1 226634672 344509251 /nfs/dbraw/zinc/50/92/51/344509251.db2.gz MJKDSWZGZQOWFY-UTUOFQBUSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@H]1CC[C@]2(CNC[C@@H](CC)O2)C1 226634660 344509335 /nfs/dbraw/zinc/50/93/35/344509335.db2.gz MJKDSWZGZQOWFY-IJLUTSLNSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1cc(CN)sc1Cl 226661126 344509735 /nfs/dbraw/zinc/50/97/35/344509735.db2.gz YYAJBAJFUXKQSH-UHFFFAOYSA-N 0 3 161.657 2.169 10 0 AEAEHN C[C@@H]1CCO[C@@H]1[C@@H](N)c1cccs1 226700583 344510281 /nfs/dbraw/zinc/51/02/81/344510281.db2.gz UYVMGUPTSPEKEH-JEZHCXPESA-N 0 3 197.303 2.173 10 0 AEAEHN C[C@@H]1CCO[C@H]1[C@@H](N)c1cccs1 226700594 344510475 /nfs/dbraw/zinc/51/04/75/344510475.db2.gz UYVMGUPTSPEKEH-FKTZTGRPSA-N 0 3 197.303 2.173 10 0 AEAEHN CC(=O)[C@@H](C)N1CCCCC[C@@H]1C 226735747 344511266 /nfs/dbraw/zinc/51/12/66/344511266.db2.gz MEQYQBJNUZVZDE-VHSXEESVSA-N 0 3 183.295 2.228 10 0 AEAEHN CC1CCC(C(=O)C2(N)CCC2)CC1 226780768 344513500 /nfs/dbraw/zinc/51/35/00/344513500.db2.gz GGTMJJOUXMIPSQ-UHFFFAOYSA-N 0 3 195.306 2.263 10 0 AEAEHN NC1(C(=O)CC2CCCC2)CCC1 226780186 344513553 /nfs/dbraw/zinc/51/35/53/344513553.db2.gz HJHUNFFWZFLMNN-UHFFFAOYSA-N 0 3 181.279 2.017 10 0 AEAEHN NC1(C(=O)C2CCCCC2)CCC1 226778236 344513714 /nfs/dbraw/zinc/51/37/14/344513714.db2.gz UDWYZNMJLBEPKM-UHFFFAOYSA-N 0 3 181.279 2.017 10 0 AEAEHN CC[C@@H]1OC[C@H](CC(C)C)N[C@@H]1C 226813075 344514278 /nfs/dbraw/zinc/51/42/78/344514278.db2.gz PDSJESVDBFWEDT-VWYCJHECSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@@H]1C[C@H]1N[C@@H]1CCc2cccnc21 226818992 344514985 /nfs/dbraw/zinc/51/49/85/344514985.db2.gz OYGXZHUFIWDSEZ-FBIMIBRVSA-N 0 3 188.274 2.067 10 0 AEAEHN C[C@@H]1C[C@@H]1N[C@@H]1CCc2cccnc21 226818983 344515171 /nfs/dbraw/zinc/51/51/71/344515171.db2.gz OYGXZHUFIWDSEZ-IEBDPFPHSA-N 0 3 188.274 2.067 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H]2C[C@H]2C)o1 226983703 344518906 /nfs/dbraw/zinc/51/89/06/344518906.db2.gz WABSCUFFWQRXES-GTNGPMTGSA-N 0 3 165.236 2.244 10 0 AEAEHN C[C@H]1C[C@H](C)CC[C@]1(N)C(F)F 227028625 344519612 /nfs/dbraw/zinc/51/96/12/344519612.db2.gz FCRMUZXJWZXQSN-BKPPORCPSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1C[C@H](C)CC[C@@]1(N)C(F)F 227028615 344519784 /nfs/dbraw/zinc/51/97/84/344519784.db2.gz FCRMUZXJWZXQSN-FJXKBIBVSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H]1CC[C@@H](C)[C@@](N)(C(F)F)C1 227045474 344520215 /nfs/dbraw/zinc/52/02/15/344520215.db2.gz AGKYPVQPEHLMGS-ZXFLCMHBSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1CC[C@@H](C)C[C@]1(N)C(F)F 227045487 344520461 /nfs/dbraw/zinc/52/04/61/344520461.db2.gz AGKYPVQPEHLMGS-BKPPORCPSA-N 0 3 177.238 2.405 10 0 AEAEHN CC(C)[C@@H](C)CN1CCC(=O)[C@@H](C)C1 227073896 344521419 /nfs/dbraw/zinc/52/14/19/344521419.db2.gz XWXJWXXJRWUZBW-QWRGUYRKSA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@@H]1NC[C@H](CC(C)(C)C)O[C@@H]1C 227495526 344532014 /nfs/dbraw/zinc/53/20/14/344532014.db2.gz MXRPCANJSPSBOF-AEJSXWLSSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@H](N)c1cnc([C@H]2C[C@@H]2C)s1 227503547 344532562 /nfs/dbraw/zinc/53/25/62/344532562.db2.gz HQHCZRSIAKEUSS-ACZMJKKPSA-N 0 3 182.292 2.286 10 0 AEAEHN C[C@H](N)c1csc([C@H]2C[C@@H]2C)n1 227503585 344532642 /nfs/dbraw/zinc/53/26/42/344532642.db2.gz CYKMKMNGYDUHGB-ACZMJKKPSA-N 0 3 182.292 2.286 10 0 AEAEHN C[C@H](N)c1csc([C@@H]2C[C@@H]2C)n1 227503580 344532720 /nfs/dbraw/zinc/53/27/20/344532720.db2.gz CYKMKMNGYDUHGB-LYFYHCNISA-N 0 3 182.292 2.286 10 0 AEAEHN C[C@H](N)c1cnc([C@@H]2C[C@@H]2C)s1 227503542 344532801 /nfs/dbraw/zinc/53/28/01/344532801.db2.gz HQHCZRSIAKEUSS-LYFYHCNISA-N 0 3 182.292 2.286 10 0 AEAEHN CC[C@H](C)[C@@H]1N[C@@H](C)CCS1 227560597 344534923 /nfs/dbraw/zinc/53/49/23/344534923.db2.gz UEIUPWHMYAIGAB-XHNCKOQMSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H](C)[C@H]1N[C@@H](C)CCS1 227560607 344535031 /nfs/dbraw/zinc/53/50/31/344535031.db2.gz UEIUPWHMYAIGAB-CIUDSAMLSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H](C)[C@@H]1NC[C@@H](C)CS1 227568953 344535334 /nfs/dbraw/zinc/53/53/34/344535334.db2.gz IIPBTFWQTSHJDF-HRDYMLBCSA-N 0 3 173.325 2.331 10 0 AEAEHN Cc1cnc([C@@H](N)C(C)C)c(C)c1 227563809 344535349 /nfs/dbraw/zinc/53/53/49/344535349.db2.gz FFLWYKFXVOMSGO-JTQLQIEISA-N 0 3 178.279 2.354 10 0 AEAEHN Cc1cnc([C@@H](N)C2CC2)c(C)c1 227563563 344535489 /nfs/dbraw/zinc/53/54/89/344535489.db2.gz ZRKQUCIKSGMEMS-JTQLQIEISA-N 0 3 176.263 2.108 10 0 AEAEHN CC[C@H](C)[C@H]1NC[C@@H](C)CS1 227568967 344535584 /nfs/dbraw/zinc/53/55/84/344535584.db2.gz IIPBTFWQTSHJDF-VGMNWLOBSA-N 0 3 173.325 2.331 10 0 AEAEHN CCC[C@H](N)c1ncc(C)cc1C 227564124 344535613 /nfs/dbraw/zinc/53/56/13/344535613.db2.gz XLEBPLVDYFCNFQ-JTQLQIEISA-N 0 3 178.279 2.498 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1ncc(C)cc1C 227570136 344535791 /nfs/dbraw/zinc/53/57/91/344535791.db2.gz SHZZWAMPKSYLOJ-PWSUYJOCSA-N 0 3 190.290 2.282 10 0 AEAEHN CC[C@H](C)[C@H]1NCC[C@@H](C)S1 227576115 344535939 /nfs/dbraw/zinc/53/59/39/344535939.db2.gz PZLFUQQYJUVJFK-YIZRAAEISA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1ncc(C)cc1C 227570144 344535962 /nfs/dbraw/zinc/53/59/62/344535962.db2.gz SHZZWAMPKSYLOJ-JQWIXIFHSA-N 0 3 190.290 2.282 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1ncc(C)cc1C 227570160 344536100 /nfs/dbraw/zinc/53/61/00/344536100.db2.gz SHZZWAMPKSYLOJ-CMPLNLGQSA-N 0 3 190.290 2.282 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1ncc(C)cc1C 227570151 344536131 /nfs/dbraw/zinc/53/61/31/344536131.db2.gz SHZZWAMPKSYLOJ-ZYHUDNBSSA-N 0 3 190.290 2.282 10 0 AEAEHN CC[C@H](C)[C@@H]1NCC[C@@H](C)S1 227576101 344536230 /nfs/dbraw/zinc/53/62/30/344536230.db2.gz PZLFUQQYJUVJFK-DJLDLDEBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(=N)N1CCCOc2ccccc21 227612365 344536810 /nfs/dbraw/zinc/53/68/10/344536810.db2.gz JDAHFRJXWDVQHB-UHFFFAOYSA-N 0 3 190.246 2.273 10 0 AEAEHN CC(C)[C@@H](C)Oc1ccnc(N)c1 227672318 344543661 /nfs/dbraw/zinc/54/36/61/344543661.db2.gz YFHVURQMAQVCSI-MRVPVSSYSA-N 0 3 180.251 2.087 10 0 AEAEHN Nc1cc(OCC2CCCC2)ccn1 227672234 344543764 /nfs/dbraw/zinc/54/37/64/344543764.db2.gz WAKHGGQLKMZIKS-UHFFFAOYSA-N 0 3 192.262 2.233 10 0 AEAEHN CC(C)[C@H](C)Oc1ccnc(N)c1 227672321 344543911 /nfs/dbraw/zinc/54/39/11/344543911.db2.gz YFHVURQMAQVCSI-QMMMGPOBSA-N 0 3 180.251 2.087 10 0 AEAEHN Cc1sccc1[C@]1(N)CCCOC1 227769131 344546391 /nfs/dbraw/zinc/54/63/91/344546391.db2.gz UJOUQBUKOJNEAQ-JTQLQIEISA-N 0 3 197.303 2.021 10 0 AEAEHN Cc1sccc1[C@@]1(N)CCCOC1 227769123 344546740 /nfs/dbraw/zinc/54/67/40/344546740.db2.gz UJOUQBUKOJNEAQ-SNVBAGLBSA-N 0 3 197.303 2.021 10 0 AEAEHN CSC[C@@H](N)c1ccsc1C 227787636 344547848 /nfs/dbraw/zinc/54/78/48/344547848.db2.gz WKTOOGYJVGXYSJ-MRVPVSSYSA-N 0 3 187.333 2.419 10 0 AEAEHN Cc1sccc1[C@@H](N)[C@H]1CCCO1 227792236 344547605 /nfs/dbraw/zinc/54/76/05/344547605.db2.gz NGOMHAIIPNMNRS-NXEZZACHSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1sccc1[C@H](N)[C@@H]1CCCO1 227792232 344547675 /nfs/dbraw/zinc/54/76/75/344547675.db2.gz NGOMHAIIPNMNRS-UWVGGRQHSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1sccc1[C@H](N)[C@H]1CCCO1 227792240 344547696 /nfs/dbraw/zinc/54/76/96/344547696.db2.gz NGOMHAIIPNMNRS-ZJUUUORDSA-N 0 3 197.303 2.235 10 0 AEAEHN CSC[C@H](N)c1ccsc1C 227787638 344547790 /nfs/dbraw/zinc/54/77/90/344547790.db2.gz WKTOOGYJVGXYSJ-QMMMGPOBSA-N 0 3 187.333 2.419 10 0 AEAEHN Cc1sccc1[C@@H](N)[C@@H]1CCCO1 227792226 344547832 /nfs/dbraw/zinc/54/78/32/344547832.db2.gz NGOMHAIIPNMNRS-VHSXEESVSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1sccc1[C@H](F)CN 227877481 344549354 /nfs/dbraw/zinc/54/93/54/344549354.db2.gz UIKBQEUFXBYFRB-SSDOTTSWSA-N 0 3 159.229 2.026 10 0 AEAEHN Cc1sccc1[C@@H](F)CN 227877478 344549390 /nfs/dbraw/zinc/54/93/90/344549390.db2.gz UIKBQEUFXBYFRB-ZETCQYMHSA-N 0 3 159.229 2.026 10 0 AEAEHN Cc1sccc1[C@](C)(F)CN 227877768 344550041 /nfs/dbraw/zinc/55/00/41/344550041.db2.gz MQCUINBQRNIUQO-MRVPVSSYSA-N 0 3 173.256 2.200 10 0 AEAEHN CSC1(CNCc2ccoc2)CC1 227949272 344552543 /nfs/dbraw/zinc/55/25/43/344552543.db2.gz ZSDJYBCOGIZJJJ-UHFFFAOYSA-N 0 3 197.303 2.265 10 0 AEAEHN CCC(=O)CN1CCC[C@@H]2CCC[C@H]21 228032216 344555835 /nfs/dbraw/zinc/55/58/35/344555835.db2.gz SGOYHMNNTWSSHJ-CMPLNLGQSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC(=O)CN1CCC[C@H]2CCC[C@H]21 228032236 344555884 /nfs/dbraw/zinc/55/58/84/344555884.db2.gz SGOYHMNNTWSSHJ-ZYHUDNBSSA-N 0 3 195.306 2.230 10 0 AEAEHN Fc1c(Cl)cccc1C=C1CNC1 228412118 344562107 /nfs/dbraw/zinc/56/21/07/344562107.db2.gz NAEXHFAPSCBOJT-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN CC[C@@]1(C)CCSC(NC2CC2)=N1 228489922 344562526 /nfs/dbraw/zinc/56/25/26/344562526.db2.gz BWWPZCQIMZTUEN-JTQLQIEISA-N 0 3 198.335 2.400 10 0 AEAEHN CCNC1=N[C@](C)(CC)CCS1 228490363 344562535 /nfs/dbraw/zinc/56/25/35/344562535.db2.gz QKFQMCTZDOCSIZ-SECBINFHSA-N 0 3 186.324 2.258 10 0 AEAEHN CC[C@]1(C)CCSC(NC2CC2)=N1 228489927 344562561 /nfs/dbraw/zinc/56/25/61/344562561.db2.gz BWWPZCQIMZTUEN-SNVBAGLBSA-N 0 3 198.335 2.400 10 0 AEAEHN c1cc(NC[C@@H]2CCSC2)ccn1 228582788 344564319 /nfs/dbraw/zinc/56/43/19/344564319.db2.gz QFINMQTXIMOYOK-VIFPVBQESA-N 0 3 194.303 2.247 10 0 AEAEHN c1cc(NC[C@H]2CCSC2)ccn1 228582795 344564340 /nfs/dbraw/zinc/56/43/40/344564340.db2.gz QFINMQTXIMOYOK-SECBINFHSA-N 0 3 194.303 2.247 10 0 AEAEHN Cc1cc([C@H](N)c2cccnc2)co1 228645583 344565322 /nfs/dbraw/zinc/56/53/22/344565322.db2.gz QHWWMRNNLORSDH-LLVKDONJSA-N 0 3 188.230 2.031 10 0 AEAEHN Cc1cc([C@@H](N)c2cccnc2)co1 228645574 344565399 /nfs/dbraw/zinc/56/53/99/344565399.db2.gz QHWWMRNNLORSDH-NSHDSACASA-N 0 3 188.230 2.031 10 0 AEAEHN C[C@H]1CC(=O)CCN1C[C@H](C)C1CC1 228777314 344568469 /nfs/dbraw/zinc/56/84/69/344568469.db2.gz AHKLKXISNOAGPC-UWVGGRQHSA-N 0 3 195.306 2.086 10 0 AEAEHN Cc1ccncc1CNC1(C)CC1 228835046 344570074 /nfs/dbraw/zinc/57/00/74/344570074.db2.gz FOQRHUZCMDSLAV-UHFFFAOYSA-N 0 3 176.263 2.032 10 0 AEAEHN CC1(Nc2ccncc2)CC1 228883264 344572809 /nfs/dbraw/zinc/57/28/09/344572809.db2.gz DHSQFWRMJSBLSP-UHFFFAOYSA-N 0 3 148.209 2.046 10 0 AEAEHN CC1(Nc2ccncc2)CCC1 228887944 344573559 /nfs/dbraw/zinc/57/35/59/344573559.db2.gz AHERZVMISUOTAJ-UHFFFAOYSA-N 0 3 162.236 2.436 10 0 AEAEHN C[C@H]1C[C@H](C)SC(NC2(C)CC2)=N1 228896196 344573865 /nfs/dbraw/zinc/57/38/65/344573865.db2.gz OTQKUYGQQVTMJL-YUMQZZPRSA-N 0 3 198.335 2.398 10 0 AEAEHN CC1(C)CSC(NC2(C)CC2)=N1 228896479 344573830 /nfs/dbraw/zinc/57/38/30/344573830.db2.gz QEQYVKKVXABZQD-UHFFFAOYSA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@@H]1CSC(NC2(C)CC2)=N1 228896264 344573836 /nfs/dbraw/zinc/57/38/36/344573836.db2.gz YYAJFECGHYIZQL-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@H]1CCSC(NC2(C)CC2)=N1 228896613 344573840 /nfs/dbraw/zinc/57/38/40/344573840.db2.gz WLVDLXWAJMIBED-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@H]1CN=C(NC2(C)CCC2)SC1 228896932 344573847 /nfs/dbraw/zinc/57/38/47/344573847.db2.gz OWZJFUVHAAZQPC-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H]1CCSC(NC2(C)CCC2)=N1 228897137 344573852 /nfs/dbraw/zinc/57/38/52/344573852.db2.gz IXAZKFYRWIMTHO-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN CC1(NC2=NC[C@H](C3CC3)S2)CC1 228896239 344573883 /nfs/dbraw/zinc/57/38/83/344573883.db2.gz OOEATOYKFBPOID-MRVPVSSYSA-N 0 3 196.319 2.010 10 0 AEAEHN C[C@@H]1CCSC(NC2(C)CCC2)=N1 228897129 344573901 /nfs/dbraw/zinc/57/39/01/344573901.db2.gz IXAZKFYRWIMTHO-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@@]1(C)CSC(NC2(C)CC2)=N1 228896544 344573917 /nfs/dbraw/zinc/57/39/17/344573917.db2.gz FAPLYPFJXPZDKT-VIFPVBQESA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@@H]1CSC(NC2(C)CC2)=N[C@H]1C 228896518 344573929 /nfs/dbraw/zinc/57/39/29/344573929.db2.gz DHNQQAALPULNTK-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCSC(NC2(C)CC2)=N1 228896600 344573941 /nfs/dbraw/zinc/57/39/41/344573941.db2.gz WLVDLXWAJMIBED-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN CC1(NC2=NC[C@@H](C3CC3)S2)CC1 228896252 344573950 /nfs/dbraw/zinc/57/39/50/344573950.db2.gz OOEATOYKFBPOID-QMMMGPOBSA-N 0 3 196.319 2.010 10 0 AEAEHN CC[C@]1(C)CSC(NC2(C)CC2)=N1 228896556 344573961 /nfs/dbraw/zinc/57/39/61/344573961.db2.gz FAPLYPFJXPZDKT-SECBINFHSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@H]1CN=C(NC2(C)CCC2)S1 228896983 344573967 /nfs/dbraw/zinc/57/39/67/344573967.db2.gz VVWSDXZNOOSPIN-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@@H]1CN=C(NC2(C)CCC2)S1 228896973 344573972 /nfs/dbraw/zinc/57/39/72/344573972.db2.gz VVWSDXZNOOSPIN-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@@H]1CSC(NC2(C)CC2)=N[C@@H]1C 228896495 344573977 /nfs/dbraw/zinc/57/39/77/344573977.db2.gz DHNQQAALPULNTK-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1C[C@@H](C)SC(NC2(C)CC2)=N1 228896186 344573981 /nfs/dbraw/zinc/57/39/81/344573981.db2.gz OTQKUYGQQVTMJL-JGVFFNPUSA-N 0 3 198.335 2.398 10 0 AEAEHN CC1(C)CSC(NC2(C)CCC2)=N1 228897014 344573986 /nfs/dbraw/zinc/57/39/86/344573986.db2.gz JIERBFJCUBRWDV-UHFFFAOYSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@@H]1N=C(NC2(C)CC2)SC[C@@H]1C 228896530 344574021 /nfs/dbraw/zinc/57/40/21/344574021.db2.gz DHNQQAALPULNTK-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)[C@H]1CSC(NC2(C)CC2)=N1 228896630 344574027 /nfs/dbraw/zinc/57/40/27/344574027.db2.gz DAJARKHLKYSMMN-MRVPVSSYSA-N 0 3 198.335 2.256 10 0 AEAEHN CC1(C)CN=C(NC2(C)CC2)SC1 228896570 344574036 /nfs/dbraw/zinc/57/40/36/344574036.db2.gz YSZZAABXBUWPNH-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H]1CSC(NC2(C)CCC2)=N1 228896766 344574078 /nfs/dbraw/zinc/57/40/78/344574078.db2.gz ONQYXRPTWXZRTJ-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN CC1(NC2=NCCCS2)CCC1 228896688 344574098 /nfs/dbraw/zinc/57/40/98/344574098.db2.gz MDKFOCYYVZDLIO-UHFFFAOYSA-N 0 3 184.308 2.012 10 0 AEAEHN C[C@@H]1CSC(NC2(C)CCC2)=N1 228896757 344574118 /nfs/dbraw/zinc/57/41/18/344574118.db2.gz ONQYXRPTWXZRTJ-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@@H]1C[C@@H](C)SC(NC2(C)CC2)=N1 228896167 344574131 /nfs/dbraw/zinc/57/41/31/344574131.db2.gz OTQKUYGQQVTMJL-HTQZYQBOSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@H]1CSC(NC2(C)CCC2)=N1 228896918 344574157 /nfs/dbraw/zinc/57/41/57/344574157.db2.gz XJNDIYZCTRVTGH-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@H]1C[C@@H](C)N=C(NC2(C)CC2)S1 228896176 344574190 /nfs/dbraw/zinc/57/41/90/344574190.db2.gz OTQKUYGQQVTMJL-SFYZADRCSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@@H]1CSC(NC2(C)CCC2)=N1 228896909 344574195 /nfs/dbraw/zinc/57/41/95/344574195.db2.gz XJNDIYZCTRVTGH-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@@H]1CN=C(NC2(C)CCC2)SC1 228896938 344574242 /nfs/dbraw/zinc/57/42/42/344574242.db2.gz OWZJFUVHAAZQPC-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@H]1CSC(NC2(C)CC2)=N1 228896275 344574252 /nfs/dbraw/zinc/57/42/52/344574252.db2.gz YYAJFECGHYIZQL-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@H]1CN([C@H](C)C(C)(C)C)CCC1=O 228961497 344577366 /nfs/dbraw/zinc/57/73/66/344577366.db2.gz BXVAYTCCMAQDAX-VHSXEESVSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H]1CC(=O)CCN1[C@H](C)C(C)(C)C 228962432 344577835 /nfs/dbraw/zinc/57/78/35/344577835.db2.gz SCRTWAIXOOCKQY-VHSXEESVSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H]1CC[C@H](NC2=NC[C@@H](C)S2)C1 228998142 344579289 /nfs/dbraw/zinc/57/92/89/344579289.db2.gz LRSOHPZZOUEDLD-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CSC(N[C@H]2CC[C@@H](C)C2)=N1 228997609 344579295 /nfs/dbraw/zinc/57/92/95/344579295.db2.gz KRJASZISYIYQPI-VGMNWLOBSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CC[C@@H](NC2=NC[C@@H](C)S2)C1 228998160 344579419 /nfs/dbraw/zinc/57/94/19/344579419.db2.gz LRSOHPZZOUEDLD-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CSC(N[C@@H]2CC[C@@H](C)C2)=N1 228997635 344579618 /nfs/dbraw/zinc/57/96/18/344579618.db2.gz KRJASZISYIYQPI-HRDYMLBCSA-N 0 3 198.335 2.256 10 0 AEAEHN Cn1ccnc1NCCC1CCC1 229120687 344582486 /nfs/dbraw/zinc/58/24/86/344582486.db2.gz UWVQGCLXQUPRLK-UHFFFAOYSA-N 0 3 179.267 2.022 10 0 AEAEHN CC[C@H](N)c1ccoc1Cl 229298861 344589516 /nfs/dbraw/zinc/58/95/16/344589516.db2.gz WDKPDDFFKDANAZ-LURJTMIESA-N 0 3 159.616 2.343 10 0 AEAEHN CC[C@@H](N)c1ccoc1Cl 229298853 344589641 /nfs/dbraw/zinc/58/96/41/344589641.db2.gz WDKPDDFFKDANAZ-ZCFIWIBFSA-N 0 3 159.616 2.343 10 0 AEAEHN N[C@@H](c1ccoc1Cl)C1CC1 229299773 344590293 /nfs/dbraw/zinc/59/02/93/344590293.db2.gz IPGFLRMICIIRTC-SSDOTTSWSA-N 0 3 171.627 2.343 10 0 AEAEHN N[C@H](c1ccoc1Cl)C1CC1 229299788 344590354 /nfs/dbraw/zinc/59/03/54/344590354.db2.gz IPGFLRMICIIRTC-ZETCQYMHSA-N 0 3 171.627 2.343 10 0 AEAEHN CCC[C@@H]1CNC[C@](C)(C(C)C)O1 229361009 344592560 /nfs/dbraw/zinc/59/25/60/344592560.db2.gz QCFBERCMUJIKEP-GHMZBOCLSA-N 0 3 185.311 2.190 10 0 AEAEHN CCC[C@@H]1CNC[C@@](C)(C(C)C)O1 229361041 344592665 /nfs/dbraw/zinc/59/26/65/344592665.db2.gz QCFBERCMUJIKEP-MNOVXSKESA-N 0 3 185.311 2.190 10 0 AEAEHN CCC[C@H]1CNC[C@@](C)(C(C)C)O1 229361767 344592729 /nfs/dbraw/zinc/59/27/29/344592729.db2.gz QCFBERCMUJIKEP-QWRGUYRKSA-N 0 3 185.311 2.190 10 0 AEAEHN CC(C)=CCNc1cccc(N)n1 229377093 344593252 /nfs/dbraw/zinc/59/32/52/344593252.db2.gz ZNKSJSVWODDXBZ-UHFFFAOYSA-N 0 3 177.251 2.042 10 0 AEAEHN C[C@@H]1CC[C@H]([C@@H](N)c2ccsc2)O1 229390743 344593617 /nfs/dbraw/zinc/59/36/17/344593617.db2.gz APOOABYUWGBNEB-QNSHHTMESA-N 0 3 197.303 2.315 10 0 AEAEHN CC[C@@]1(C)CNC[C@H](C2CCCC2)O1 229440396 344595343 /nfs/dbraw/zinc/59/53/43/344595343.db2.gz YJOYXXOJWNBVMB-NEPJUHHUSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@]1(C)CNC[C@H](C2CCCC2)O1 229440403 344595381 /nfs/dbraw/zinc/59/53/81/344595381.db2.gz YJOYXXOJWNBVMB-VXGBXAGGSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@@]1(C)CNC[C@@H](C2CCCC2)O1 229440415 344595487 /nfs/dbraw/zinc/59/54/87/344595487.db2.gz YJOYXXOJWNBVMB-RYUDHWBXSA-N 0 3 197.322 2.334 10 0 AEAEHN CC[C@]1(C)CNC[C@@H](C2CCCC2)O1 229440425 344595501 /nfs/dbraw/zinc/59/55/01/344595501.db2.gz YJOYXXOJWNBVMB-NWDGAFQWSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H]2CO[C@H](C)C2)o1 229489194 344597975 /nfs/dbraw/zinc/59/79/75/344597975.db2.gz RIRCHEMWYYLZQZ-WCABBAIRSA-N 0 3 195.262 2.013 10 0 AEAEHN C(=C1CNC1)[C@H]1CCC2(CCCC2)O1 229496852 344598310 /nfs/dbraw/zinc/59/83/10/344598310.db2.gz DLNOVAJFRRVXHX-LLVKDONJSA-N 0 3 193.290 2.008 10 0 AEAEHN C(=C1CNC1)[C@@H]1CCC2(CCCC2)O1 229496844 344598406 /nfs/dbraw/zinc/59/84/06/344598406.db2.gz DLNOVAJFRRVXHX-NSHDSACASA-N 0 3 193.290 2.008 10 0 AEAEHN CCC1(Nc2nccn2C)CCC1 229512621 344599387 /nfs/dbraw/zinc/59/93/87/344599387.db2.gz IOAFQQVXKROPRF-UHFFFAOYSA-N 0 3 179.267 2.165 10 0 AEAEHN CCC1(NC2=NCCS2)CCC1 229516663 344600023 /nfs/dbraw/zinc/60/00/23/344600023.db2.gz VRGNYUXUQUWOJM-UHFFFAOYSA-N 0 3 184.308 2.012 10 0 AEAEHN CCC1(NC2=N[C@H](C)CS2)CCC1 229516700 344600033 /nfs/dbraw/zinc/60/00/33/344600033.db2.gz UETQHOODLIKNCQ-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CCC1(NC2=NC[C@H](C)S2)CCC1 229517009 344600071 /nfs/dbraw/zinc/60/00/71/344600071.db2.gz CRBNLZUDUALOMS-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN CCC1(NC2=N[C@@H](C)CS2)CCC1 229516689 344600091 /nfs/dbraw/zinc/60/00/91/344600091.db2.gz UETQHOODLIKNCQ-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN CCC1(NC2=NC[C@@H](C)S2)CCC1 229516998 344600170 /nfs/dbraw/zinc/60/01/70/344600170.db2.gz CRBNLZUDUALOMS-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@@H]1CCC[C@@]1(N)C(F)F 229667557 344610096 /nfs/dbraw/zinc/61/00/96/344610096.db2.gz UEEQRJXTNVPWRZ-SVRRBLITSA-N 0 3 163.211 2.159 10 0 AEAEHN CC[C@@H]1CCC[C@]1(N)C(F)F 229667568 344610463 /nfs/dbraw/zinc/61/04/63/344610463.db2.gz UEEQRJXTNVPWRZ-HTRCEHHLSA-N 0 3 163.211 2.159 10 0 AEAEHN CC[C@H]1CCC[C@]1(N)C(F)F 229667573 344610532 /nfs/dbraw/zinc/61/05/32/344610532.db2.gz UEEQRJXTNVPWRZ-POYBYMJQSA-N 0 3 163.211 2.159 10 0 AEAEHN CC[C@H]1CCC[C@@]1(N)C(F)F 229667564 344610562 /nfs/dbraw/zinc/61/05/62/344610562.db2.gz UEEQRJXTNVPWRZ-XPUUQOCRSA-N 0 3 163.211 2.159 10 0 AEAEHN Cc1csc([C@](C)(N)CC2CC2)n1 229733350 344612999 /nfs/dbraw/zinc/61/29/99/344612999.db2.gz DWKLQBNANLRNFB-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN CC(C)NC1=N[C@H](C)[C@H](C)CS1 229743797 344613466 /nfs/dbraw/zinc/61/34/66/344613466.db2.gz AMVXXPOVQRGAKE-HTQZYQBOSA-N 0 3 186.324 2.112 10 0 AEAEHN CC(C)NC1=N[C@H](C)[C@@H](C)CS1 229743785 344613685 /nfs/dbraw/zinc/61/36/85/344613685.db2.gz AMVXXPOVQRGAKE-JGVFFNPUSA-N 0 3 186.324 2.112 10 0 AEAEHN C[C@@H]1CSC(NC2CCC2)=N[C@H]1C 229750358 344613911 /nfs/dbraw/zinc/61/39/11/344613911.db2.gz MOIBYCOEGXCIMM-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)N(C)Cc1cccc(N)c1F 229752620 344613965 /nfs/dbraw/zinc/61/39/65/344613965.db2.gz JQINCYDFANJSJB-UHFFFAOYSA-N 0 3 196.269 2.248 10 0 AEAEHN C[C@@H]1CSC(NC2CCC2)=N[C@@H]1C 229750348 344613977 /nfs/dbraw/zinc/61/39/77/344613977.db2.gz MOIBYCOEGXCIMM-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@]1(CC2CCC2)NCCS1 229753141 344613985 /nfs/dbraw/zinc/61/39/85/344613985.db2.gz QRTDFIHMWGTPIH-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@H]1CN(C2CCCC2)CCC1=O 229754776 344614452 /nfs/dbraw/zinc/61/44/52/344614452.db2.gz NCIWKBHFGWIFPF-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@]1(CC2CC2)NCCCS1 229753303 344614474 /nfs/dbraw/zinc/61/44/74/344614474.db2.gz PHRFVYSUYBPOHN-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@](N)(CC1CCC1)C(F)F 229755210 344614558 /nfs/dbraw/zinc/61/45/58/344614558.db2.gz NEALHBMDICPOOS-QMMMGPOBSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@@](N)(CC1CCC1)C(F)F 229755205 344614588 /nfs/dbraw/zinc/61/45/88/344614588.db2.gz NEALHBMDICPOOS-MRVPVSSYSA-N 0 3 163.211 2.159 10 0 AEAEHN CC[C@@H]1CN(C2CCCC2)CCC1=O 229754766 344614616 /nfs/dbraw/zinc/61/46/16/344614616.db2.gz NCIWKBHFGWIFPF-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H]1CN[C@@](C)(CC2CC2)SC1 229753395 344614670 /nfs/dbraw/zinc/61/46/70/344614670.db2.gz KTHAYZWSEFWLPC-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@]1(CC2CC2)NCCCS1 229753310 344614682 /nfs/dbraw/zinc/61/46/82/344614682.db2.gz PHRFVYSUYBPOHN-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@H]1CN[C@](C)(CC2CC2)SC1 229753408 344614731 /nfs/dbraw/zinc/61/47/31/344614731.db2.gz KTHAYZWSEFWLPC-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@](C)(CC2CC2)SC1 229753402 344614755 /nfs/dbraw/zinc/61/47/55/344614755.db2.gz KTHAYZWSEFWLPC-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN CC[C@H]1CN(CC2CCC2)CCC1=O 229759785 344615017 /nfs/dbraw/zinc/61/50/17/344615017.db2.gz GXKNSQPWKMQUFA-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN CC[C@@H]1CN(CC2CCC2)CCC1=O 229759778 344615181 /nfs/dbraw/zinc/61/51/81/344615181.db2.gz GXKNSQPWKMQUFA-LLVKDONJSA-N 0 3 195.306 2.088 10 0 AEAEHN NC[C@@H](F)c1sccc1Cl 229955708 344621565 /nfs/dbraw/zinc/62/15/65/344621565.db2.gz ULNGRMWAXVZLJA-RXMQYKEDSA-N 0 3 179.647 2.371 10 0 AEAEHN CC[C@H]1CN=C(NC(C)(C)C)S1 229998327 344622900 /nfs/dbraw/zinc/62/29/00/344622900.db2.gz DFHADEUSWCJUOY-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN CC[C@H]1CN=C(NC2(C)CCC2)S1 230011666 344623185 /nfs/dbraw/zinc/62/31/85/344623185.db2.gz AEQDMDTWWLIHNW-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN CC[C@H]1CN=C(NC2CCC2)S1 230006364 344623192 /nfs/dbraw/zinc/62/31/92/344623192.db2.gz UIFCBDQJFDOENJ-QMMMGPOBSA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@@H]1CN=C(NC2(C)CC2)S1 230011645 344623206 /nfs/dbraw/zinc/62/32/06/344623206.db2.gz WZVJEZKHZNLUBQ-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN CC(C)[C@@H]1CN=C(N[C@H]2C[C@@H]2C)S1 230006421 344623230 /nfs/dbraw/zinc/62/32/30/344623230.db2.gz QJDKNLQOGIGTJU-CIUDSAMLSA-N 0 3 198.335 2.112 10 0 AEAEHN CC[C@@H]1CN=C(NC2CCC2)S1 230006361 344623238 /nfs/dbraw/zinc/62/32/38/344623238.db2.gz UIFCBDQJFDOENJ-MRVPVSSYSA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@@H]1CN=C(NC2CC(C)C2)S1 230011209 344623285 /nfs/dbraw/zinc/62/32/85/344623285.db2.gz MBLHXDCFNYCNTF-AMDVSUOASA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CNC[C@@H](c2ccsc2)O1 230013210 344623369 /nfs/dbraw/zinc/62/33/69/344623369.db2.gz IWUXZPLLJLLNHO-ZJUUUORDSA-N 0 3 197.303 2.188 10 0 AEAEHN CC(C)[C@@H]1CN=C(N[C@@H]2C[C@@H]2C)S1 230006409 344623375 /nfs/dbraw/zinc/62/33/75/344623375.db2.gz QJDKNLQOGIGTJU-YIZRAAEISA-N 0 3 198.335 2.112 10 0 AEAEHN CC[C@H]1CN=C(NC2CC(C)C2)S1 230011213 344623380 /nfs/dbraw/zinc/62/33/80/344623380.db2.gz MBLHXDCFNYCNTF-HACHORDNSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1CN=C(NC2(C)CC2)S1 230011650 344623393 /nfs/dbraw/zinc/62/33/93/344623393.db2.gz WZVJEZKHZNLUBQ-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@@H]1CNC[C@H](c2ccsc2)O1 230012966 344623398 /nfs/dbraw/zinc/62/33/98/344623398.db2.gz IWUXZPLLJLLNHO-NXEZZACHSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@H]1CNC[C@H](c2cccs2)O1 230013598 344623408 /nfs/dbraw/zinc/62/34/08/344623408.db2.gz DONPMLUCMVTVSA-DTWKUNHWSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@@H]1CNC[C@@H](c2cccs2)O1 230013603 344623442 /nfs/dbraw/zinc/62/34/42/344623442.db2.gz DONPMLUCMVTVSA-BDAKNGLRSA-N 0 3 197.303 2.188 10 0 AEAEHN CC(C)[C@@H]1CN=C(NC2CCC2)S1 230006372 344623471 /nfs/dbraw/zinc/62/34/71/344623471.db2.gz CKDHSLAYSGOIHC-VIFPVBQESA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CN=C(N[C@@H]2CC2(C)C)S1 230005683 344623524 /nfs/dbraw/zinc/62/35/24/344623524.db2.gz QMJIWBJXBRLMHH-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1CNC[C@H](c2ccsc2)O1 230013206 344623529 /nfs/dbraw/zinc/62/35/29/344623529.db2.gz IWUXZPLLJLLNHO-VHSXEESVSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@@H]1CNC[C@H](c2cccs2)O1 230013595 344623531 /nfs/dbraw/zinc/62/35/31/344623531.db2.gz DONPMLUCMVTVSA-RKDXNWHRSA-N 0 3 197.303 2.188 10 0 AEAEHN CC[C@H]1CNC[C@@H](c2ccsc2)O1 230013216 344623538 /nfs/dbraw/zinc/62/35/38/344623538.db2.gz IWUXZPLLJLLNHO-UWVGGRQHSA-N 0 3 197.303 2.188 10 0 AEAEHN CC(C)[C@H]1CN=C(NC2(C)CC2)S1 230011658 344623540 /nfs/dbraw/zinc/62/35/40/344623540.db2.gz IDGXUAHRSJGYEX-MRVPVSSYSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)[C@H]1CNC[C@@H](C(C)(C)C)O1 230015066 344623737 /nfs/dbraw/zinc/62/37/37/344623737.db2.gz FHCZZAFXMVAQFR-ZJUUUORDSA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)[C@@H]1CNC[C@H](C(C)(C)C)O1 230015054 344623968 /nfs/dbraw/zinc/62/39/68/344623968.db2.gz FHCZZAFXMVAQFR-VHSXEESVSA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)[C@@H]1CNC[C@@H](C(C)(C)C)O1 230015062 344624003 /nfs/dbraw/zinc/62/40/03/344624003.db2.gz FHCZZAFXMVAQFR-UWVGGRQHSA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)[C@H]1CNC[C@H](C(C)(C)C)O1 230015059 344624081 /nfs/dbraw/zinc/62/40/81/344624081.db2.gz FHCZZAFXMVAQFR-NXEZZACHSA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)[C@@H](N)c1nc2c([nH]1)CC[C@@H]2C 230370042 344631897 /nfs/dbraw/zinc/63/18/97/344631897.db2.gz VGCONNMYOMSEPU-IONNQARKSA-N 0 3 193.294 2.115 10 0 AEAEHN CC(C)[C@@H](N)c1nc2c([nH]1)[C@@H](C)CC2 230370042 344631899 /nfs/dbraw/zinc/63/18/99/344631899.db2.gz VGCONNMYOMSEPU-IONNQARKSA-N 0 3 193.294 2.115 10 0 AEAEHN CC(C)[C@@H](N)c1nc2c([nH]1)CC[C@H]2C 230370048 344632125 /nfs/dbraw/zinc/63/21/25/344632125.db2.gz VGCONNMYOMSEPU-VXNVDRBHSA-N 0 3 193.294 2.115 10 0 AEAEHN CC(C)[C@@H](N)c1nc2c([nH]1)[C@H](C)CC2 230370048 344632127 /nfs/dbraw/zinc/63/21/27/344632127.db2.gz VGCONNMYOMSEPU-VXNVDRBHSA-N 0 3 193.294 2.115 10 0 AEAEHN Cc1nc([C@@H](N)C(C)(C)C)[nH]c1C 230369552 344632235 /nfs/dbraw/zinc/63/22/35/344632235.db2.gz HTTSEDHFZUXNOM-MRVPVSSYSA-N 0 3 181.283 2.072 10 0 AEAEHN CC(C)[C@H](N)c1nc2c([nH]1)CC[C@H]2C 230370050 344632361 /nfs/dbraw/zinc/63/23/61/344632361.db2.gz VGCONNMYOMSEPU-APPZFPTMSA-N 0 3 193.294 2.115 10 0 AEAEHN CC(C)[C@H](N)c1nc2c([nH]1)[C@H](C)CC2 230370050 344632363 /nfs/dbraw/zinc/63/23/63/344632363.db2.gz VGCONNMYOMSEPU-APPZFPTMSA-N 0 3 193.294 2.115 10 0 AEAEHN CCc1nc([C@@H](N)C(C)(C)C)[nH]c1C 230370907 344632594 /nfs/dbraw/zinc/63/25/94/344632594.db2.gz BMSHYCRJQRBNKI-SECBINFHSA-N 0 3 195.310 2.326 10 0 AEAEHN CCc1[nH]c([C@@H](N)C(C)(C)C)nc1C 230370907 344632596 /nfs/dbraw/zinc/63/25/96/344632596.db2.gz BMSHYCRJQRBNKI-SECBINFHSA-N 0 3 195.310 2.326 10 0 AEAEHN C=Cc1ccc(CN)c(Cl)c1 230791437 344643100 /nfs/dbraw/zinc/64/31/00/344643100.db2.gz LUGKCFAFAPPKBU-UHFFFAOYSA-N 0 3 167.639 2.442 10 0 AEAEHN Fc1cncc(CNC2CC=CC2)c1 230941689 344646088 /nfs/dbraw/zinc/64/60/88/344646088.db2.gz HUMIOEHWQUPSAY-UHFFFAOYSA-N 0 3 192.237 2.029 10 0 AEAEHN CCC(C)(CC)N1CCC(=O)CC1 230960353 344646250 /nfs/dbraw/zinc/64/62/50/344646250.db2.gz DGTZUNLDFPBSCN-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CC(C)[C@H]1CCSC(NC2CC2)=N1 231091302 344648108 /nfs/dbraw/zinc/64/81/08/344648108.db2.gz BMXDPGSTPYZAQC-SECBINFHSA-N 0 3 198.335 2.256 10 0 AEAEHN Fc1ccc(C=C2CNC2)cc1Cl 231081851 344648197 /nfs/dbraw/zinc/64/81/97/344648197.db2.gz MGWGCSIVIOCGKX-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN CC(C)CC[C@@H]1NCCS1 231182673 344649650 /nfs/dbraw/zinc/64/96/50/344649650.db2.gz BWFMCOLWSAFHSF-MRVPVSSYSA-N 0 3 159.298 2.085 10 0 AEAEHN Fc1ccc(Cl)cc1C=C1CNC1 231203731 344650010 /nfs/dbraw/zinc/65/00/10/344650010.db2.gz MTHFZQRSUKQCCG-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN CN(C1=NCCS1)C1CCCCC1 231535746 344654113 /nfs/dbraw/zinc/65/41/13/344654113.db2.gz IMVURLMSLPGJOT-UHFFFAOYSA-N 0 3 198.335 2.354 10 0 AEAEHN Cc1ccc([C@@H](F)CN)c(F)c1F 231740250 344658638 /nfs/dbraw/zinc/65/86/38/344658638.db2.gz CGLXZAYKCCQMNC-ZETCQYMHSA-N 0 3 189.180 2.243 10 0 AEAEHN Cc1ccc([C@H](F)CN)c(F)c1F 231740252 344658651 /nfs/dbraw/zinc/65/86/51/344658651.db2.gz CGLXZAYKCCQMNC-SSDOTTSWSA-N 0 3 189.180 2.243 10 0 AEAEHN C/C(=C\Cl)CNC1(C)CC1 232001264 344669584 /nfs/dbraw/zinc/66/95/84/344669584.db2.gz GSOUBHFXSWUAFB-FNORWQNLSA-N 0 3 159.660 2.271 10 0 AEAEHN C/C(=C\Cl)CN[C@@H]1CCSC1 232001690 344669706 /nfs/dbraw/zinc/66/97/06/344669706.db2.gz PUESECVOZYUWJK-RXLGXGPVSA-N 0 3 191.727 2.224 10 0 AEAEHN C/C(=C\Cl)CN[C@H]1CCSC1 232001693 344669828 /nfs/dbraw/zinc/66/98/28/344669828.db2.gz PUESECVOZYUWJK-IPWDFOCMSA-N 0 3 191.727 2.224 10 0 AEAEHN CC1(C)CO[C@H](CC2CCCC2)CN1 232139034 344672354 /nfs/dbraw/zinc/67/23/54/344672354.db2.gz IXMNWMGASFEQFS-LLVKDONJSA-N 0 3 197.322 2.334 10 0 AEAEHN CC1(C)CO[C@@H](CC2CCCC2)CN1 232139033 344672457 /nfs/dbraw/zinc/67/24/57/344672457.db2.gz IXMNWMGASFEQFS-NSHDSACASA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1ccc2c(CN)coc2c1F 232332291 344675234 /nfs/dbraw/zinc/67/52/34/344675234.db2.gz HGGLIWUSIQCCHA-UHFFFAOYSA-N 0 3 179.194 2.339 10 0 AEAEHN CC[C@H]1Oc2c(ccc(C)c2F)[C@@H]1N 232324359 344675252 /nfs/dbraw/zinc/67/52/52/344675252.db2.gz STKUMXISLGMWMY-SCZZXKLOSA-N 0 3 195.237 2.305 10 0 AEAEHN CC[C@H]1Oc2c(ccc(C)c2F)[C@H]1N 232324363 344675267 /nfs/dbraw/zinc/67/52/67/344675267.db2.gz STKUMXISLGMWMY-PSASIEDQSA-N 0 3 195.237 2.305 10 0 AEAEHN Cc1ccc2c([O-])c(C)oc2c1F 232323986 344675286 /nfs/dbraw/zinc/67/52/86/344675286.db2.gz CSAZAQWHLRXRPE-ZCFIWIBFSA-N 0 3 180.178 2.098 10 0 AEAEHN Cc1ccc2c(c1F)OC(C)C2=O 232323986 344675288 /nfs/dbraw/zinc/67/52/88/344675288.db2.gz CSAZAQWHLRXRPE-ZCFIWIBFSA-N 0 3 180.178 2.098 10 0 AEAEHN CCN[C@H]1COc2c1ccc(C)c2F 232324291 344675295 /nfs/dbraw/zinc/67/52/95/344675295.db2.gz LLFQRLFQDZUORN-VIFPVBQESA-N 0 3 195.237 2.177 10 0 AEAEHN Cc1ccc2c([O-])c(C)oc2c1F 232323984 344675324 /nfs/dbraw/zinc/67/53/24/344675324.db2.gz CSAZAQWHLRXRPE-LURJTMIESA-N 0 3 180.178 2.098 10 0 AEAEHN Cc1ccc2c(c1F)OC(C)C2=O 232323984 344675325 /nfs/dbraw/zinc/67/53/25/344675325.db2.gz CSAZAQWHLRXRPE-LURJTMIESA-N 0 3 180.178 2.098 10 0 AEAEHN CCN[C@@H]1COc2c1ccc(C)c2F 232324290 344675419 /nfs/dbraw/zinc/67/54/19/344675419.db2.gz LLFQRLFQDZUORN-SECBINFHSA-N 0 3 195.237 2.177 10 0 AEAEHN CC[C@@H]1Oc2c(ccc(C)c2F)[C@H]1N 232324361 344675455 /nfs/dbraw/zinc/67/54/55/344675455.db2.gz STKUMXISLGMWMY-WCBMZHEXSA-N 0 3 195.237 2.305 10 0 AEAEHN CC[C@@H]1Oc2c(ccc(C)c2F)[C@@H]1N 232324357 344675524 /nfs/dbraw/zinc/67/55/24/344675524.db2.gz STKUMXISLGMWMY-WPRPVWTQSA-N 0 3 195.237 2.305 10 0 AEAEHN Cc1ccc2c(c1F)OCCC[C@@H]2N 232324203 344675537 /nfs/dbraw/zinc/67/55/37/344675537.db2.gz WMMLSTIBQXZWJI-VIFPVBQESA-N 0 3 195.237 2.307 10 0 AEAEHN C/C=C/CNCc1cnccc1C 232465240 344678075 /nfs/dbraw/zinc/67/80/75/344678075.db2.gz GIZLXEHTUODEQJ-ONEGZZNKSA-N 0 3 176.263 2.056 10 0 AEAEHN C/C=C/CNCc1cccc(F)c1 232464862 344678275 /nfs/dbraw/zinc/67/82/75/344678275.db2.gz RMSDEXAASPQNRD-NSCUHMNNSA-N 0 3 179.238 2.491 10 0 AEAEHN C/C=C/CNCc1ccncc1C 232465112 344678301 /nfs/dbraw/zinc/67/83/01/344678301.db2.gz PARWSSHUYICCEU-ONEGZZNKSA-N 0 3 176.263 2.056 10 0 AEAEHN C/C=C/CNCc1ccsc1 232465184 344678442 /nfs/dbraw/zinc/67/84/42/344678442.db2.gz JBIILBUKGYVZTD-NSCUHMNNSA-N 0 3 167.277 2.414 10 0 AEAEHN CC(C)(NC1=NCCCS1)C1CC1 232536694 344681408 /nfs/dbraw/zinc/68/14/08/344681408.db2.gz GUTZTVAIXSBLFZ-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN CC(C)=C[C@@H](F)[C@H]1CCCCN1 232557093 344682201 /nfs/dbraw/zinc/68/22/01/344682201.db2.gz MCFJLWKTGXUZBZ-NXEZZACHSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@@H](F)[C@@H]1CCCCN1 232557058 344682292 /nfs/dbraw/zinc/68/22/92/344682292.db2.gz MCFJLWKTGXUZBZ-ZJUUUORDSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccnc(C)c1 232559118 344682697 /nfs/dbraw/zinc/68/26/97/344682697.db2.gz SDCNQWHJAWKBEB-LLVKDONJSA-N 0 3 176.263 2.356 10 0 AEAEHN CC(C)C1CC2(C1)NC[C@@H](C)S2 232574299 344683859 /nfs/dbraw/zinc/68/38/59/344683859.db2.gz FIDFHYBLOKBMPK-XNWIYYODSA-N 0 3 185.336 2.474 10 0 AEAEHN c1ncc([C@@H]2CCCCCN2)s1 232576699 344683885 /nfs/dbraw/zinc/68/38/85/344683885.db2.gz KVXKFWZCRNTCKI-QMMMGPOBSA-N 0 3 182.292 2.348 10 0 AEAEHN CC(C)C1CC2(C1)NC[C@H](C)S2 232574354 344683892 /nfs/dbraw/zinc/68/38/92/344683892.db2.gz FIDFHYBLOKBMPK-IDKOKCKLSA-N 0 3 185.336 2.474 10 0 AEAEHN CC(C)C1CC2(C1)NCCS2 232574140 344683898 /nfs/dbraw/zinc/68/38/98/344683898.db2.gz ZRLVWAFRHLDTHD-UHFFFAOYSA-N 0 3 171.309 2.085 10 0 AEAEHN CC(C)C1CC2(C1)NCCCS2 232574049 344683936 /nfs/dbraw/zinc/68/39/36/344683936.db2.gz NXFBDXNZRDQWAD-UHFFFAOYSA-N 0 3 185.336 2.475 10 0 AEAEHN CC(C)C1CC2(C1)N[C@@H](C)CS2 232574442 344683953 /nfs/dbraw/zinc/68/39/53/344683953.db2.gz HLSFRPMOGKMXAC-IDKOKCKLSA-N 0 3 185.336 2.474 10 0 AEAEHN c1ncc([C@H]2CCCCCN2)s1 232576444 344683995 /nfs/dbraw/zinc/68/39/95/344683995.db2.gz KVXKFWZCRNTCKI-MRVPVSSYSA-N 0 3 182.292 2.348 10 0 AEAEHN CC(C)C1CC2(C1)N[C@H](C)CS2 232574500 344684025 /nfs/dbraw/zinc/68/40/25/344684025.db2.gz HLSFRPMOGKMXAC-XNWIYYODSA-N 0 3 185.336 2.474 10 0 AEAEHN CC(C)=CCNc1ccncc1 232644379 344686998 /nfs/dbraw/zinc/68/69/98/344686998.db2.gz ZYZBEIFFCUQJGQ-UHFFFAOYSA-N 0 3 162.236 2.460 10 0 AEAEHN CC(C)NC1=N[C@H](C(C)C)CS1 232648859 344687032 /nfs/dbraw/zinc/68/70/32/344687032.db2.gz QWFWKTBACCLAPR-QMMMGPOBSA-N 0 3 186.324 2.112 10 0 AEAEHN CC(C)N[C@H](C)c1cc(O)cc(O)c1 232672323 344687555 /nfs/dbraw/zinc/68/75/55/344687555.db2.gz DKYSDVFUZFFTJP-MRVPVSSYSA-N 0 3 195.262 2.157 10 0 AEAEHN CC(C)N[C@@H](C)c1cc(O)cc(O)c1 232672302 344687568 /nfs/dbraw/zinc/68/75/68/344687568.db2.gz DKYSDVFUZFFTJP-QMMMGPOBSA-N 0 3 195.262 2.157 10 0 AEAEHN CC(C)Nc1nccc(CN)c1Cl 232712118 344688388 /nfs/dbraw/zinc/68/83/88/344688388.db2.gz FMDALOJGDVCDMJ-UHFFFAOYSA-N 0 3 199.685 2.014 10 0 AEAEHN CC(C)[C@@H]1CSC(NC2CCC2)=N1 232738885 344689010 /nfs/dbraw/zinc/68/90/10/344689010.db2.gz HFHQVIGFPFJDHR-VIFPVBQESA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)NCc1ccoc1Cl 232744726 344689063 /nfs/dbraw/zinc/68/90/63/344689063.db2.gz ONTAVSOABHAMDJ-UHFFFAOYSA-N 0 3 173.643 2.431 10 0 AEAEHN CC(C)[C@@H]1CSC(N[C@@H]2C[C@@H]2C)=N1 232753615 344689083 /nfs/dbraw/zinc/68/90/83/344689083.db2.gz YMJRGTCVDDZDBI-YIZRAAEISA-N 0 3 198.335 2.112 10 0 AEAEHN CC(C)[C@@H]1CSC(NC2(C)CC2)=N1 232738545 344689185 /nfs/dbraw/zinc/68/91/85/344689185.db2.gz DAJARKHLKYSMMN-QMMMGPOBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC1(C)C[C@@H]1NC/C=C/Cl 232787827 344690250 /nfs/dbraw/zinc/69/02/50/344690250.db2.gz FGKJHUSQELSAMB-SDLBARTOSA-N 0 3 159.660 2.127 10 0 AEAEHN CC1(C)C[C@H]1[C@H](N)c1ccco1 232793183 344690750 /nfs/dbraw/zinc/69/07/50/344690750.db2.gz HNDLFCVCXWUAJU-CBAPKCEASA-N 0 3 165.236 2.326 10 0 AEAEHN CC1CC2(C1)NCC[C@H](C)S2 232794469 344690757 /nfs/dbraw/zinc/69/07/57/344690757.db2.gz YEIHLCSMWDOLAI-MGURRDGZSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1CC2(C1)NCC[C@@H](C)S2 232794432 344690760 /nfs/dbraw/zinc/69/07/60/344690760.db2.gz YEIHLCSMWDOLAI-QJAFJHJLSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1CC2(C1)NC[C@@H](C)CS2 232794523 344690893 /nfs/dbraw/zinc/69/08/93/344690893.db2.gz BGHQIAPUUUOQHN-QJAFJHJLSA-N 0 3 171.309 2.085 10 0 AEAEHN CC1CC2(C1)NC(C)(C)CS2 232794225 344690929 /nfs/dbraw/zinc/69/09/29/344690929.db2.gz PGAAYMXOWXIGPO-UHFFFAOYSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1CC2(C1)N[C@@H](C)CCS2 232794795 344690950 /nfs/dbraw/zinc/69/09/50/344690950.db2.gz VQOAZXRGWWKXKK-MGURRDGZSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1(C)C[C@H]1[C@H](N)c1ccncc1F 232793306 344690996 /nfs/dbraw/zinc/69/09/96/344690996.db2.gz VYMBFLDKKVLZCT-WCBMZHEXSA-N 0 3 194.253 2.267 10 0 AEAEHN CC1CC2(C1)NC[C@H](C)CS2 232794601 344691010 /nfs/dbraw/zinc/69/10/10/344691010.db2.gz BGHQIAPUUUOQHN-MGURRDGZSA-N 0 3 171.309 2.085 10 0 AEAEHN CC1(NCc2ccc(N)cc2F)CC1 232799473 344691218 /nfs/dbraw/zinc/69/12/18/344691218.db2.gz RLUGEUDLHPCBBL-UHFFFAOYSA-N 0 3 194.253 2.050 10 0 AEAEHN CC1CC2(C1)N[C@H](C)CCS2 232794963 344691320 /nfs/dbraw/zinc/69/13/20/344691320.db2.gz VQOAZXRGWWKXKK-QJAFJHJLSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1(CNc2cccc(N)n2)CCC1 232806390 344691897 /nfs/dbraw/zinc/69/18/97/344691897.db2.gz NWIRYFXBTQYUCY-UHFFFAOYSA-N 0 3 191.278 2.266 10 0 AEAEHN Cc1csc(C2(N)CC(C)C2)n1 232813531 344692287 /nfs/dbraw/zinc/69/22/87/344692287.db2.gz WTUGGXDGCLRMBB-UHFFFAOYSA-N 0 3 182.292 2.035 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H](N)c1ccncc1F 232813944 344692306 /nfs/dbraw/zinc/69/23/06/344692306.db2.gz VYMBFLDKKVLZCT-SCZZXKLOSA-N 0 3 194.253 2.267 10 0 AEAEHN Cc1nc(C2(N)CC(C)C2)sc1C 232813488 344692328 /nfs/dbraw/zinc/69/23/28/344692328.db2.gz GPGANOLNZYVDOC-UHFFFAOYSA-N 0 3 196.319 2.344 10 0 AEAEHN CC1(CNc2ccncc2)CC1 232811762 344692472 /nfs/dbraw/zinc/69/24/72/344692472.db2.gz UYTBMUWBBSCTAW-UHFFFAOYSA-N 0 3 162.236 2.294 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H](N)c1ccco1 232813890 344692490 /nfs/dbraw/zinc/69/24/90/344692490.db2.gz HNDLFCVCXWUAJU-VXNVDRBHSA-N 0 3 165.236 2.326 10 0 AEAEHN CC1(C)C[C@H]1c1ncc(CN)s1 232826351 344693734 /nfs/dbraw/zinc/69/37/34/344693734.db2.gz LFGOFLPCSVATJN-ZETCQYMHSA-N 0 3 182.292 2.115 10 0 AEAEHN CC1(CNC2=NC(C)(C)CS2)CC1 232845298 344694507 /nfs/dbraw/zinc/69/45/07/344694507.db2.gz USHUYBUVOFPQSH-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN CC1(C)C[C@@H]1[C@H](N)c1ccncc1F 232844297 344694546 /nfs/dbraw/zinc/69/45/46/344694546.db2.gz VYMBFLDKKVLZCT-PSASIEDQSA-N 0 3 194.253 2.267 10 0 AEAEHN CC1(C)C[C@@H]1[C@H](N)c1ccco1 232844228 344694568 /nfs/dbraw/zinc/69/45/68/344694568.db2.gz HNDLFCVCXWUAJU-APPZFPTMSA-N 0 3 165.236 2.326 10 0 AEAEHN CC1(C)C[C@@H]1c1ncc(CN)s1 232863663 344695231 /nfs/dbraw/zinc/69/52/31/344695231.db2.gz LFGOFLPCSVATJN-SSDOTTSWSA-N 0 3 182.292 2.115 10 0 AEAEHN CC1(C)C[C@H]1[C@@H](N)c1ccco1 232993843 344698007 /nfs/dbraw/zinc/69/80/07/344698007.db2.gz HNDLFCVCXWUAJU-IONNQARKSA-N 0 3 165.236 2.326 10 0 AEAEHN CC1(C)C[C@H]1[C@@H](N)c1ccncc1F 232993913 344698089 /nfs/dbraw/zinc/69/80/89/344698089.db2.gz VYMBFLDKKVLZCT-WPRPVWTQSA-N 0 3 194.253 2.267 10 0 AEAEHN CCC1(CNC2=NC[C@H](C)S2)CC1 232988138 344698117 /nfs/dbraw/zinc/69/81/17/344698117.db2.gz VPTWVGKYVGQPPZ-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN CCC1(CNC2=NC[C@@H](C)S2)CC1 232987412 344698183 /nfs/dbraw/zinc/69/81/83/344698183.db2.gz VPTWVGKYVGQPPZ-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN CC1(C)C[C@H]1NC/C=C/Cl 232967982 344698197 /nfs/dbraw/zinc/69/81/97/344698197.db2.gz FGKJHUSQELSAMB-KGGZQZJCSA-N 0 3 159.660 2.127 10 0 AEAEHN CCC[C@@H]1C[C@H]1NC1=NC[C@@H](C)S1 233305462 344700298 /nfs/dbraw/zinc/70/02/98/344700298.db2.gz ALBKOZAFTXJBNB-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN CCC[C@@H]1C[C@H]1Nc1cccc(N)n1 233311182 344700742 /nfs/dbraw/zinc/70/07/42/344700742.db2.gz PNHFHACBDDAUPU-RKDXNWHRSA-N 0 3 191.278 2.264 10 0 AEAEHN CCC[C@H]1C[C@H]1Nc1cccc(N)n1 233434936 344701665 /nfs/dbraw/zinc/70/16/65/344701665.db2.gz PNHFHACBDDAUPU-DTWKUNHWSA-N 0 3 191.278 2.264 10 0 AEAEHN CCC[C@H]1C[C@@H]1Nc1cccc(N)n1 233441673 344702233 /nfs/dbraw/zinc/70/22/33/344702233.db2.gz PNHFHACBDDAUPU-IUCAKERBSA-N 0 3 191.278 2.264 10 0 AEAEHN CCNC1(c2nccs2)CC(C)C1 233492211 344702551 /nfs/dbraw/zinc/70/25/51/344702551.db2.gz FWCNNWZUOGDTKY-UHFFFAOYSA-N 0 3 196.319 2.378 10 0 AEAEHN CCNCc1ccoc1Cl 233511594 344702710 /nfs/dbraw/zinc/70/27/10/344702710.db2.gz DUSDRMRBXDYBDH-UHFFFAOYSA-N 0 3 159.616 2.043 10 0 AEAEHN CCNc1nc2ccc(F)cc2[nH]1 233646311 344703616 /nfs/dbraw/zinc/70/36/16/344703616.db2.gz PLQVCGUDBBMBLC-UHFFFAOYSA-N 0 3 179.198 2.134 10 0 AEAEHN CCS[C@@H]1CCC[C@H]1NCCF 233840870 344704748 /nfs/dbraw/zinc/70/47/48/344704748.db2.gz DOOSUEBAKCHWCX-RKDXNWHRSA-N 0 3 191.315 2.220 10 0 AEAEHN CCS[C@H]1CCC[C@H]1NCCF 233842571 344705310 /nfs/dbraw/zinc/70/53/10/344705310.db2.gz DOOSUEBAKCHWCX-BDAKNGLRSA-N 0 3 191.315 2.220 10 0 AEAEHN CC[C@@H](NC)c1ncccc1Cl 233899807 344706153 /nfs/dbraw/zinc/70/61/53/344706153.db2.gz YSVVFCKQOWLUFC-MRVPVSSYSA-N 0 3 184.670 2.406 10 0 AEAEHN CC[C@@H](NC)c1cnc(C)s1 233899535 344706272 /nfs/dbraw/zinc/70/62/72/344706272.db2.gz YKXRVYMPTORCIB-SSDOTTSWSA-N 0 3 170.281 2.122 10 0 AEAEHN CC[C@@H]1C[C@H]1Nc1ccncc1 233915884 344706567 /nfs/dbraw/zinc/70/65/67/344706567.db2.gz DNLQBOKEYLZODB-PSASIEDQSA-N 0 3 162.236 2.292 10 0 AEAEHN CC[C@@H]1C[C@@H]1Nc1cccc(NC)n1 233919124 344706633 /nfs/dbraw/zinc/70/66/33/344706633.db2.gz FKUCXXGBMDWKBM-BDAKNGLRSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@@H]1C[C@H]1Nc1cccc(NC)n1 233915414 344706867 /nfs/dbraw/zinc/70/68/67/344706867.db2.gz FKUCXXGBMDWKBM-RKDXNWHRSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@@H]1C[C@@H]1Nc1ccncc1 233919514 344707312 /nfs/dbraw/zinc/70/73/12/344707312.db2.gz DNLQBOKEYLZODB-SCZZXKLOSA-N 0 3 162.236 2.292 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1ncccc1Cl 233930368 344707572 /nfs/dbraw/zinc/70/75/72/344707572.db2.gz VLCKSCMTQVCWQH-XCBNKYQSSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1ncccc1Cl 233930193 344707600 /nfs/dbraw/zinc/70/76/00/344707600.db2.gz VLCKSCMTQVCWQH-GMSGAONNSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@@H]1CN=C(N[C@H]2C[C@H]2CC)S1 233956390 344708551 /nfs/dbraw/zinc/70/85/51/344708551.db2.gz BZJGKYWVLQYUTM-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1C[C@H]1NC1=N[C@@H](C)CCS1 233948649 344708574 /nfs/dbraw/zinc/70/85/74/344708574.db2.gz MMLUZHODOMPUAU-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1C[C@H]1NC1=NC[C@@H](CC)S1 233956113 344708584 /nfs/dbraw/zinc/70/85/84/344708584.db2.gz BZJGKYWVLQYUTM-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=NC[C@@H](C)CS1 233948551 344708640 /nfs/dbraw/zinc/70/86/40/344708640.db2.gz DQUDDRAHUQLZLM-HLTSFMKQSA-N 0 3 198.335 2.113 10 0 AEAEHN CC[C@@H]1C[C@H]1NC1=NC[C@@H](C)CS1 233948611 344708654 /nfs/dbraw/zinc/70/86/54/344708654.db2.gz DQUDDRAHUQLZLM-IWSPIJDZSA-N 0 3 198.335 2.113 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=N[C@@H](C)CCS1 233948618 344708664 /nfs/dbraw/zinc/70/86/64/344708664.db2.gz MMLUZHODOMPUAU-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1C[C@H]1NC1=NC(C)(C)CS1 233948518 344708709 /nfs/dbraw/zinc/70/87/09/344708709.db2.gz OWYPPSNDRONRQF-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1C[C@@H]1NC1=NC[C@@H](CC)S1 233956382 344708711 /nfs/dbraw/zinc/70/87/11/344708711.db2.gz BZJGKYWVLQYUTM-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CN=C(N[C@@H]2C[C@H]2CC)S1 233956118 344708804 /nfs/dbraw/zinc/70/88/04/344708804.db2.gz BZJGKYWVLQYUTM-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN CCN(C)c1c(Cl)cccc1CN 233974882 344709040 /nfs/dbraw/zinc/70/90/40/344709040.db2.gz HVFZXYRJFNLXEQ-UHFFFAOYSA-N 0 3 198.697 2.255 10 0 AEAEHN CC[C@@H]1CNCC2(CC(C(C)C)C2)O1 233962508 344709048 /nfs/dbraw/zinc/70/90/48/344709048.db2.gz HHIQQXLVNTVDQE-MOENNCHZSA-N 0 3 197.322 2.190 10 0 AEAEHN CCS[C@@H]1CCC[C@@H]1NCCF 233985576 344709464 /nfs/dbraw/zinc/70/94/64/344709464.db2.gz DOOSUEBAKCHWCX-DTWKUNHWSA-N 0 3 191.315 2.220 10 0 AEAEHN CC[C@H](NC)c1cnc(C)s1 234033418 344710319 /nfs/dbraw/zinc/71/03/19/344710319.db2.gz YKXRVYMPTORCIB-ZETCQYMHSA-N 0 3 170.281 2.122 10 0 AEAEHN CC[C@H](NC)c1ncccc1Cl 234034172 344710432 /nfs/dbraw/zinc/71/04/32/344710432.db2.gz YSVVFCKQOWLUFC-QMMMGPOBSA-N 0 3 184.670 2.406 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1ncccc1Cl 234047853 344710650 /nfs/dbraw/zinc/71/06/50/344710650.db2.gz VLCKSCMTQVCWQH-OIBJUYFYSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1ncccc1Cl 234048138 344710736 /nfs/dbraw/zinc/71/07/36/344710736.db2.gz VLCKSCMTQVCWQH-XVKPBYJWSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@H]1CNCC2(CC(C(C)C)C2)O1 234087578 344712095 /nfs/dbraw/zinc/71/20/95/344712095.db2.gz HHIQQXLVNTVDQE-CXQJBGSLSA-N 0 3 197.322 2.190 10 0 AEAEHN CC[C@H]1CSC2(CC(C)C2)N1 234133616 344713303 /nfs/dbraw/zinc/71/33/03/344713303.db2.gz MGZFCGXIHPYFRG-MGURRDGZSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@H]1C[C@H]1Nc1ccncc1 234134325 344713522 /nfs/dbraw/zinc/71/35/22/344713522.db2.gz DNLQBOKEYLZODB-WCBMZHEXSA-N 0 3 162.236 2.292 10 0 AEAEHN CC[C@H]1C[C@H]1Nc1cccc(NC)n1 234133627 344713596 /nfs/dbraw/zinc/71/35/96/344713596.db2.gz FKUCXXGBMDWKBM-DTWKUNHWSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@H]1C[C@@H]1Nc1cccc(NC)n1 234142188 344713751 /nfs/dbraw/zinc/71/37/51/344713751.db2.gz FKUCXXGBMDWKBM-IUCAKERBSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@H]1C[C@@H]1Nc1ccncc1 234142946 344713968 /nfs/dbraw/zinc/71/39/68/344713968.db2.gz DNLQBOKEYLZODB-WPRPVWTQSA-N 0 3 162.236 2.292 10 0 AEAEHN CCn1c(N)nc2cc(F)c(C)cc21 234195492 344714977 /nfs/dbraw/zinc/71/49/77/344714977.db2.gz LJSOWHNYEOGBCB-UHFFFAOYSA-N 0 3 193.225 2.086 10 0 AEAEHN CCc1occc1[C@@H](C)NC 234229270 344715535 /nfs/dbraw/zinc/71/55/35/344715535.db2.gz BQPBBANUBCTHRL-SSDOTTSWSA-N 0 3 153.225 2.122 10 0 AEAEHN CCc1occc1[C@H](C)NC 234276878 344716912 /nfs/dbraw/zinc/71/69/12/344716912.db2.gz BQPBBANUBCTHRL-ZETCQYMHSA-N 0 3 153.225 2.122 10 0 AEAEHN CNC1(c2nc(C)cs2)CC(C)C1 234362762 344719400 /nfs/dbraw/zinc/71/94/00/344719400.db2.gz NAJCROOBQJFDSX-UHFFFAOYSA-N 0 3 196.319 2.296 10 0 AEAEHN CNCc1cc(F)cc(SC)c1 234385225 344719811 /nfs/dbraw/zinc/71/98/11/344719811.db2.gz UDXAUCYJEVUNLZ-UHFFFAOYSA-N 0 3 185.267 2.267 10 0 AEAEHN CNCc1cnc([C@@H]2CC2(C)C)s1 234423732 344720102 /nfs/dbraw/zinc/72/01/02/344720102.db2.gz SIESVUJVFJEMAC-QMMMGPOBSA-N 0 3 196.319 2.376 10 0 AEAEHN CNCc1cnc([C@H]2CC2(C)C)s1 234424132 344720321 /nfs/dbraw/zinc/72/03/21/344720321.db2.gz SIESVUJVFJEMAC-MRVPVSSYSA-N 0 3 196.319 2.376 10 0 AEAEHN CN[C@@H](C)c1ccoc1Cl 234420893 344720452 /nfs/dbraw/zinc/72/04/52/344720452.db2.gz FTQIQWVJQUOVCP-YFKPBYRVSA-N 0 3 159.616 2.213 10 0 AEAEHN CN[C@@H]1CCc2c(C)ccc(F)c21 234479718 344721397 /nfs/dbraw/zinc/72/13/97/344721397.db2.gz OYZLVTBRQSDIOK-SNVBAGLBSA-N 0 3 179.238 2.341 10 0 AEAEHN CN[C@H]1CCc2c(C)ccc(F)c21 234474997 344721404 /nfs/dbraw/zinc/72/14/04/344721404.db2.gz OYZLVTBRQSDIOK-JTQLQIEISA-N 0 3 179.238 2.341 10 0 AEAEHN CO[C@H]1CC[C@@H](Nc2ccncc2)C1 234791985 344727348 /nfs/dbraw/zinc/72/73/48/344727348.db2.gz AGDLZAZUUZCQNC-MNOVXSKESA-N 0 3 192.262 2.061 10 0 AEAEHN CO[C@@H]1CC[C@@H](Nc2ccncc2)C1 234902665 344730294 /nfs/dbraw/zinc/73/02/94/344730294.db2.gz AGDLZAZUUZCQNC-GHMZBOCLSA-N 0 3 192.262 2.061 10 0 AEAEHN CSCc1ccc(F)c(CN)c1 235046997 344731970 /nfs/dbraw/zinc/73/19/70/344731970.db2.gz OAWVASORLGXLCF-UHFFFAOYSA-N 0 3 185.267 2.147 10 0 AEAEHN C[C@@H](N)c1cncn1C(C)(C)C1CC1 235189786 344735025 /nfs/dbraw/zinc/73/50/25/344735025.db2.gz RRGXSSXMFBXKPP-MRVPVSSYSA-N 0 3 193.294 2.048 10 0 AEAEHN C[C@@H](N)c1cncn1CC1(C)CCC1 235190099 344735043 /nfs/dbraw/zinc/73/50/43/344735043.db2.gz CNWGHSYAFHPVQZ-SECBINFHSA-N 0 3 193.294 2.093 10 0 AEAEHN CSC1(CNc2ccncc2)CC1 235193493 344735504 /nfs/dbraw/zinc/73/55/04/344735504.db2.gz KZGTVUUITFNBHQ-UHFFFAOYSA-N 0 3 194.303 2.389 10 0 AEAEHN C[C@@H]1CC(=O)CCN1C(C)(C)C1CC1 235259133 344738559 /nfs/dbraw/zinc/73/85/59/344738559.db2.gz QWFJIGFXMDJXFC-SECBINFHSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H]1CC(C)(C)C[C@@]1(N)C(F)F 235266126 344739013 /nfs/dbraw/zinc/73/90/13/344739013.db2.gz MCRSAMIAXPESBG-MUWHJKNJSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H]1CNCc2ccc(F)c(F)c21 235274558 344739957 /nfs/dbraw/zinc/73/99/57/344739957.db2.gz SKPTUZUTYXRZEK-ZCFIWIBFSA-N 0 3 183.201 2.172 10 0 AEAEHN C[C@@H]1CN(C(C)(C)C2CC2)CCC1=O 235329364 344744003 /nfs/dbraw/zinc/74/40/03/344744003.db2.gz CSKXSXRYZQOWNQ-SECBINFHSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1CC(C)(C)C[C@]1(N)C(F)F 235337402 344744206 /nfs/dbraw/zinc/74/42/06/344744206.db2.gz MCRSAMIAXPESBG-HZGVNTEJSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H]1CSC(NC[C@@H]2CC2(C)C)=N1 235350696 344744898 /nfs/dbraw/zinc/74/48/98/344744898.db2.gz AHNVTQWPQHMRCK-SFYZADRCSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1CSC(NCC2(C)CCC2)=N1 235348852 344744979 /nfs/dbraw/zinc/74/49/79/344744979.db2.gz RZHPJJCOFDHAII-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H]1CSC(NC(C)(C)C2CC2)=N1 235348194 344745031 /nfs/dbraw/zinc/74/50/31/344745031.db2.gz WRQZNOYSSBXJNJ-SSDOTTSWSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CSC(NC[C@H]2CC2(C)C)=N1 235351065 344745070 /nfs/dbraw/zinc/74/50/70/344745070.db2.gz AHNVTQWPQHMRCK-HTQZYQBOSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1C[C@@H](Nc2ccncc2)CCO1 235356193 344745507 /nfs/dbraw/zinc/74/55/07/344745507.db2.gz PQKYRMNEUYWJIP-KOLCDFICSA-N 0 3 192.262 2.061 10 0 AEAEHN Cc1ccc(F)c2c1C[C@@H](C)NC2 235392234 344747496 /nfs/dbraw/zinc/74/74/96/344747496.db2.gz ZLNZBGDETFSUBB-MRVPVSSYSA-N 0 3 179.238 2.168 10 0 AEAEHN Cc1ccc(F)c2c1CN[C@H](C)C2 235395400 344747972 /nfs/dbraw/zinc/74/79/72/344747972.db2.gz HAHRMAAMCXQMEE-MRVPVSSYSA-N 0 3 179.238 2.168 10 0 AEAEHN C[C@@H]1CN=C(NC[C@@H]2CC2(C)C)S1 235393348 344748043 /nfs/dbraw/zinc/74/80/43/344748043.db2.gz HMMVJYCMDRRPEN-SFYZADRCSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1CN=C(NC[C@H]2CC2(C)C)S1 235393504 344748057 /nfs/dbraw/zinc/74/80/57/344748057.db2.gz HMMVJYCMDRRPEN-HTQZYQBOSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@](F)(CN)C1=CCCCC1 235406812 344748374 /nfs/dbraw/zinc/74/83/74/344748374.db2.gz IHUOPUXPEZXLRY-SECBINFHSA-N 0 3 157.232 2.174 10 0 AEAEHN C[C@@H]1C[C@H](Nc2ccncc2)CCO1 235412199 344749122 /nfs/dbraw/zinc/74/91/22/344749122.db2.gz PQKYRMNEUYWJIP-MWLCHTKSSA-N 0 3 192.262 2.061 10 0 AEAEHN C[C@@]1(c2cccc(F)c2F)CCN1 235423914 344749389 /nfs/dbraw/zinc/74/93/89/344749389.db2.gz LAOLAMKHIYUISM-JTQLQIEISA-N 0 3 183.201 2.173 10 0 AEAEHN C[C@H](N)c1cncn1C(C)(C)C1CC1 235485056 344751530 /nfs/dbraw/zinc/75/15/30/344751530.db2.gz RRGXSSXMFBXKPP-QMMMGPOBSA-N 0 3 193.294 2.048 10 0 AEAEHN C[C@H](N)c1cncn1CC1(C)CCC1 235485386 344751670 /nfs/dbraw/zinc/75/16/70/344751670.db2.gz CNWGHSYAFHPVQZ-VIFPVBQESA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CC(=O)CCN1C(C)(C)C1CC1 235551434 344754612 /nfs/dbraw/zinc/75/46/12/344754612.db2.gz QWFJIGFXMDJXFC-VIFPVBQESA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@H]1CC(C)(C)C[C@@]1(N)C(F)F 235559615 344754822 /nfs/dbraw/zinc/75/48/22/344754822.db2.gz MCRSAMIAXPESBG-RCOVLWMOSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1CC(C)(C)C[C@]1(N)C(F)F 235603807 344758794 /nfs/dbraw/zinc/75/87/94/344758794.db2.gz MCRSAMIAXPESBG-IMTBSYHQSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1CNCc2ccc(F)c(F)c21 235608496 344759425 /nfs/dbraw/zinc/75/94/25/344759425.db2.gz SKPTUZUTYXRZEK-LURJTMIESA-N 0 3 183.201 2.172 10 0 AEAEHN C[C@H]1CN(C(C)(C)C2CC2)CCC1=O 235636767 344760648 /nfs/dbraw/zinc/76/06/48/344760648.db2.gz CSKXSXRYZQOWNQ-VIFPVBQESA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1CSC(NC(C)(C)C2CC2)=N1 235658621 344761666 /nfs/dbraw/zinc/76/16/66/344761666.db2.gz WRQZNOYSSBXJNJ-ZETCQYMHSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CSC(NCC2(C)CCC2)=N1 235659167 344761786 /nfs/dbraw/zinc/76/17/86/344761786.db2.gz RZHPJJCOFDHAII-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H]1C[C@@H](Nc2ccncc2)CCO1 235668706 344762116 /nfs/dbraw/zinc/76/21/16/344762116.db2.gz PQKYRMNEUYWJIP-ONGXEEELSA-N 0 3 192.262 2.061 10 0 AEAEHN C[C@H]1CN=C(NC[C@H]2CC2(C)C)S1 235685658 344763274 /nfs/dbraw/zinc/76/32/74/344763274.db2.gz HMMVJYCMDRRPEN-JGVFFNPUSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H]1CN=C(NC[C@@H]2CC2(C)C)S1 235685480 344763241 /nfs/dbraw/zinc/76/32/41/344763241.db2.gz HMMVJYCMDRRPEN-YUMQZZPRSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H]1CN=C(NCC2(C)CCC2)S1 235684953 344763293 /nfs/dbraw/zinc/76/32/93/344763293.db2.gz AAMISWOBJCVLMS-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN Cc1ccc(F)c2c1C[C@H](C)NC2 235691999 344763297 /nfs/dbraw/zinc/76/32/97/344763297.db2.gz ZLNZBGDETFSUBB-QMMMGPOBSA-N 0 3 179.238 2.168 10 0 AEAEHN C[C@H]1CN=C(NC(C)(C)C2CC2)S1 235684802 344763369 /nfs/dbraw/zinc/76/33/69/344763369.db2.gz YFAWVRRXEYOOMW-ZETCQYMHSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@](F)(CN)C1=CCCCC1 235700263 344763496 /nfs/dbraw/zinc/76/34/96/344763496.db2.gz IHUOPUXPEZXLRY-VIFPVBQESA-N 0 3 157.232 2.174 10 0 AEAEHN Cc1ccc(F)c2c1CN[C@@H](C)C2 235693767 344763553 /nfs/dbraw/zinc/76/35/53/344763553.db2.gz HAHRMAAMCXQMEE-QMMMGPOBSA-N 0 3 179.238 2.168 10 0 AEAEHN C[C@H]1C[C@H](Nc2ccncc2)CCO1 235709523 344763986 /nfs/dbraw/zinc/76/39/86/344763986.db2.gz PQKYRMNEUYWJIP-GXSJLCMTSA-N 0 3 192.262 2.061 10 0 AEAEHN C[C@]1(c2cccc(F)c2F)CCN1 235719647 344764553 /nfs/dbraw/zinc/76/45/53/344764553.db2.gz LAOLAMKHIYUISM-SNVBAGLBSA-N 0 3 183.201 2.173 10 0 AEAEHN Cc1csc(CN)c1Cl 235782807 344766362 /nfs/dbraw/zinc/76/63/62/344766362.db2.gz ZHGBJUQPVPKVQH-UHFFFAOYSA-N 0 3 161.657 2.169 10 0 AEAEHN Cc1cc(C)c([C@@H](F)CN)c(F)c1 235795897 344766815 /nfs/dbraw/zinc/76/68/15/344766815.db2.gz JOMHFCJVUKKWCF-VIFPVBQESA-N 0 3 185.217 2.412 10 0 AEAEHN Cc1cc(C)c([C@H](F)CN)c(F)c1 235802032 344767002 /nfs/dbraw/zinc/76/70/02/344767002.db2.gz JOMHFCJVUKKWCF-SECBINFHSA-N 0 3 185.217 2.412 10 0 AEAEHN Cc1ncc([C@@H](N)C(C)(C)C)s1 235837313 344768384 /nfs/dbraw/zinc/76/83/84/344768384.db2.gz SMKJYQIYTWBLKC-MRVPVSSYSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1cc(-c2ccoc2CN)ccn1 235868071 344769254 /nfs/dbraw/zinc/76/92/54/344769254.db2.gz UEIHYDRBCSQRNO-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN Cc1nc([C@H]2CC2(C)C)sc1CN 235937435 344770015 /nfs/dbraw/zinc/77/00/15/344770015.db2.gz ZUXXNRJIXYSGSN-SSDOTTSWSA-N 0 3 196.319 2.424 10 0 AEAEHN Cl/C=C/CN[C@@H]1CCCSC1 236014995 344771479 /nfs/dbraw/zinc/77/14/79/344771479.db2.gz ZVMBJOKSOULIOH-BYDTYLDUSA-N 0 3 191.727 2.224 10 0 AEAEHN Cl/C=C/CN[C@H]1CCCSC1 236015409 344771483 /nfs/dbraw/zinc/77/14/83/344771483.db2.gz ZVMBJOKSOULIOH-KHVHVRLGSA-N 0 3 191.727 2.224 10 0 AEAEHN Cn1ccnc1NCC1(C2CC2)CC1 236079203 344772431 /nfs/dbraw/zinc/77/24/31/344772431.db2.gz XYGOERFXUHPABK-UHFFFAOYSA-N 0 3 191.278 2.022 10 0 AEAEHN Cn1ccnc1NC(C)(C)C1CC1 236078761 344772645 /nfs/dbraw/zinc/77/26/45/344772645.db2.gz LBVXPLOOJZHLCZ-UHFFFAOYSA-N 0 3 179.267 2.021 10 0 AEAEHN Cn1ccnc1NCC1(C)CCC1 236079083 344772668 /nfs/dbraw/zinc/77/26/68/344772668.db2.gz LBDYJEUPUZHIFX-UHFFFAOYSA-N 0 3 179.267 2.022 10 0 AEAEHN F[C@H](c1ccoc1)[C@H]1CCCCN1 236145341 344775355 /nfs/dbraw/zinc/77/53/55/344775355.db2.gz GRAFEDXFCYVLSS-NXEZZACHSA-N 0 3 183.226 2.432 10 0 AEAEHN F[C@H](c1ccco1)[C@@H]1CCCCN1 236142554 344775360 /nfs/dbraw/zinc/77/53/60/344775360.db2.gz BPQPFAFVNDRWET-WPRPVWTQSA-N 0 3 183.226 2.432 10 0 AEAEHN F[C@H](C1=COCCC1)[C@H]1CCCCN1 236144936 344775371 /nfs/dbraw/zinc/77/53/71/344775371.db2.gz XKLNPIOXNQCYPQ-GHMZBOCLSA-N 0 3 199.269 2.161 10 0 AEAEHN F[C@@H](C1=COCCC1)[C@@H]1CCCCN1 236167483 344776298 /nfs/dbraw/zinc/77/62/98/344776298.db2.gz XKLNPIOXNQCYPQ-QWRGUYRKSA-N 0 3 199.269 2.161 10 0 AEAEHN F[C@@H](c1ccoc1)[C@H]1CCCCN1 236191122 344776946 /nfs/dbraw/zinc/77/69/46/344776946.db2.gz GRAFEDXFCYVLSS-ZJUUUORDSA-N 0 3 183.226 2.432 10 0 AEAEHN F[C@@H](c1ccco1)[C@H]1CCCCN1 236190837 344777014 /nfs/dbraw/zinc/77/70/14/344777014.db2.gz BPQPFAFVNDRWET-PSASIEDQSA-N 0 3 183.226 2.432 10 0 AEAEHN F[C@@H](C1=COCCC1)[C@H]1CCCCN1 236187330 344777148 /nfs/dbraw/zinc/77/71/48/344777148.db2.gz XKLNPIOXNQCYPQ-MNOVXSKESA-N 0 3 199.269 2.161 10 0 AEAEHN C=Cc1ccc(Cl)c(CN)c1 236202653 344777331 /nfs/dbraw/zinc/77/73/31/344777331.db2.gz DECCLFGJUDDTNI-UHFFFAOYSA-N 0 3 167.639 2.442 10 0 AEAEHN NCc1cc(-c2ccc[nH]2)ccc1F 236246818 344778125 /nfs/dbraw/zinc/77/81/25/344778125.db2.gz BNWXRTISQGYUSK-UHFFFAOYSA-N 0 3 190.221 2.280 10 0 AEAEHN NCc1cc(-c2ccc[nH]2)cs1 236246905 344778191 /nfs/dbraw/zinc/77/81/91/344778191.db2.gz JVXUJFXUPZHGPS-UHFFFAOYSA-N 0 3 178.260 2.202 10 0 AEAEHN Fc1cc(C=C2CNC2)ccc1Cl 236237625 344778237 /nfs/dbraw/zinc/77/82/37/344778237.db2.gz ZKJIEWAPPVUESH-UHFFFAOYSA-N 0 3 197.640 2.466 10 0 AEAEHN NCc1ncoc1-c1ccoc1Cl 236250183 344778677 /nfs/dbraw/zinc/77/86/77/344778677.db2.gz BTOYBFDQHQLJBD-UHFFFAOYSA-N 0 3 198.609 2.047 10 0 AEAEHN NCc1ncoc1-c1ccc(Cl)o1 236249572 344778738 /nfs/dbraw/zinc/77/87/38/344778738.db2.gz WVUFLRKBBVTIOM-UHFFFAOYSA-N 0 3 198.609 2.047 10 0 AEAEHN NCc1occc1-c1ccsc1 236262841 344778791 /nfs/dbraw/zinc/77/87/91/344778791.db2.gz WSQVNNFLAQBBLZ-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN NCc1sccc1-c1ccc[nH]1 236268321 344778946 /nfs/dbraw/zinc/77/89/46/344778946.db2.gz RFJGOVOFIGPIGB-UHFFFAOYSA-N 0 3 178.260 2.202 10 0 AEAEHN Cc1cc(F)cc(CN)c1Cl 238527715 344810997 /nfs/dbraw/zinc/81/09/97/344810997.db2.gz OLIAEKVRSYPSTC-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN Nc1nc(-c2csc(Cl)c2)c[nH]1 236364903 344783056 /nfs/dbraw/zinc/78/30/56/344783056.db2.gz DDUYHDNYRLIMMF-UHFFFAOYSA-N 0 3 199.666 2.374 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cccnc1F 238143108 344793865 /nfs/dbraw/zinc/79/38/65/344793865.db2.gz PZTTWDVQOLLJJL-QMMMGPOBSA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccc[nH]1 238141397 344794119 /nfs/dbraw/zinc/79/41/19/344794119.db2.gz QOHFTJHTTTUYLK-QMMMGPOBSA-N 0 3 152.241 2.061 10 0 AEAEHN CC(C)(N)c1cc(F)cc(F)c1F 238150046 344794258 /nfs/dbraw/zinc/79/42/58/344794258.db2.gz KPBRGSNSDYNDDO-UHFFFAOYSA-N 0 3 189.180 2.298 10 0 AEAEHN CC(C)Nc1cccc2c1CNC2 238168686 344794725 /nfs/dbraw/zinc/79/47/25/344794725.db2.gz NWMRJSRUUZIUBE-UHFFFAOYSA-N 0 3 176.263 2.110 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccc[nH]1 238174978 344794936 /nfs/dbraw/zinc/79/49/36/344794936.db2.gz QOHFTJHTTTUYLK-MRVPVSSYSA-N 0 3 152.241 2.061 10 0 AEAEHN CC(C)C(C)(C)NC1=NCCS1 238206861 344795857 /nfs/dbraw/zinc/79/58/57/344795857.db2.gz RLXFDQQOSFBLJP-UHFFFAOYSA-N 0 3 186.324 2.113 10 0 AEAEHN CC[C@H](N)c1sccc1F 238266455 344797929 /nfs/dbraw/zinc/79/79/29/344797929.db2.gz NWADLSACZJLHEF-LURJTMIESA-N 0 3 159.229 2.297 10 0 AEAEHN CC[C@@H](N)c1ccc(OC)s1 238281637 344798498 /nfs/dbraw/zinc/79/84/98/344798498.db2.gz GCAKBWOQCNXGFC-ZCFIWIBFSA-N 0 3 171.265 2.167 10 0 AEAEHN CCNCc1ccc2c(n1)CCCC2 238274406 344798598 /nfs/dbraw/zinc/79/85/98/344798598.db2.gz IJDCEOXDNFVPOB-UHFFFAOYSA-N 0 3 190.290 2.070 10 0 AEAEHN CC[C@@H](N)c1sccc1F 238287780 344799001 /nfs/dbraw/zinc/79/90/01/344799001.db2.gz NWADLSACZJLHEF-ZCFIWIBFSA-N 0 3 159.229 2.297 10 0 AEAEHN CC[C@H](N)c1ccc(OC)s1 238317296 344800353 /nfs/dbraw/zinc/80/03/53/344800353.db2.gz GCAKBWOQCNXGFC-LURJTMIESA-N 0 3 171.265 2.167 10 0 AEAEHN CNCc1cc(C)c2ccccc2n1 238334973 344801318 /nfs/dbraw/zinc/80/13/18/344801318.db2.gz ALLLHCPZQBCDSY-UHFFFAOYSA-N 0 3 186.258 2.263 10 0 AEAEHN CN[C@H](C)c1cncc(Cl)c1 238339218 344802026 /nfs/dbraw/zinc/80/20/26/344802026.db2.gz OLTWHMHJBFTWRK-ZCFIWIBFSA-N 0 3 170.643 2.015 10 0 AEAEHN CN[C@@H](C)c1cncc(Cl)c1 238336022 344802033 /nfs/dbraw/zinc/80/20/33/344802033.db2.gz OLTWHMHJBFTWRK-LURJTMIESA-N 0 3 170.643 2.015 10 0 AEAEHN COc1ccc([C@H](N)C(C)C)s1 238346967 344802311 /nfs/dbraw/zinc/80/23/11/344802311.db2.gz NYPHNWNWKSLTDH-SECBINFHSA-N 0 3 185.292 2.413 10 0 AEAEHN C[C@@H]1CCCC[C@H]1n1cc(CN)cn1 238395921 344805052 /nfs/dbraw/zinc/80/50/52/344805052.db2.gz IXXYSXSXRMCYAE-MWLCHTKSSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CCCC[C@@H]1n1cc(CN)cn1 238429249 344806486 /nfs/dbraw/zinc/80/64/86/344806486.db2.gz IXXYSXSXRMCYAE-ONGXEEELSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CCCC[C@H]1n1cc(CN)cn1 238438567 344806763 /nfs/dbraw/zinc/80/67/63/344806763.db2.gz IXXYSXSXRMCYAE-GXSJLCMTSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1n1cc(CN)cn1 238460712 344807956 /nfs/dbraw/zinc/80/79/56/344807956.db2.gz IXXYSXSXRMCYAE-KOLCDFICSA-N 0 3 193.294 2.093 10 0 AEAEHN Cc1ccc([C@@H](N)C(C)(C)C)nc1 238475490 344808481 /nfs/dbraw/zinc/80/84/81/344808481.db2.gz HLKOAOFTVBWSKE-SNVBAGLBSA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1c(F)ccc(CN)c1Cl 238488149 344808868 /nfs/dbraw/zinc/80/88/68/344808868.db2.gz MVTTVUXCKILFFG-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN Cc1ccc([C@H](N)C(C)(C)C)nc1 238486302 344808911 /nfs/dbraw/zinc/80/89/11/344808911.db2.gz HLKOAOFTVBWSKE-JTQLQIEISA-N 0 3 178.279 2.436 10 0 AEAEHN Cc1c(F)ccc(Cl)c1CN 238488263 344809021 /nfs/dbraw/zinc/80/90/21/344809021.db2.gz GLJMENMMLBJKND-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN Cc1c(F)cccc1[C@H](N)CF 238494692 344809400 /nfs/dbraw/zinc/80/94/00/344809400.db2.gz DBZJPVAWDNILTR-SECBINFHSA-N 0 3 171.190 2.103 10 0 AEAEHN Cc1c(F)cccc1[C@@H](N)CF 238493763 344809504 /nfs/dbraw/zinc/80/95/04/344809504.db2.gz DBZJPVAWDNILTR-VIFPVBQESA-N 0 3 171.190 2.103 10 0 AEAEHN Cc1cc(Cl)c(CN)cc1F 238497061 344809771 /nfs/dbraw/zinc/80/97/71/344809771.db2.gz NVZOIFLRKMZWQB-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN Cc1cc(F)cc(Cl)c1CN 238528119 344810788 /nfs/dbraw/zinc/81/07/88/344810788.db2.gz KVDNMOMJQOXFHU-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN Cc1cc(F)c(CN)c(Cl)c1 238524539 344810995 /nfs/dbraw/zinc/81/09/95/344810995.db2.gz REXSUQYPOICYJT-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN N[C@@H](CF)c1ccc2[nH]ccc2c1 238575611 344813803 /nfs/dbraw/zinc/81/38/03/344813803.db2.gz UCVLUCMSORVUEO-VIFPVBQESA-N 0 3 178.210 2.137 10 0 AEAEHN N[C@@H](CF)c1ccc2cc[nH]c2c1 238575662 344813915 /nfs/dbraw/zinc/81/39/15/344813915.db2.gz OQXHJWKWLDYQGW-VIFPVBQESA-N 0 3 178.210 2.137 10 0 AEAEHN N[C@H]1CCc2cccc(OC(F)F)c21 238631968 344816510 /nfs/dbraw/zinc/81/65/10/344816510.db2.gz JGODPVIPOIPNJL-ZETCQYMHSA-N 0 3 199.200 2.234 10 0 AEAEHN N[C@@H]1CCc2cccc(OC(F)F)c21 238641804 344816673 /nfs/dbraw/zinc/81/66/73/344816673.db2.gz JGODPVIPOIPNJL-SSDOTTSWSA-N 0 3 199.200 2.234 10 0 AEAEHN N[C@@H](c1sccc1F)C1CC1 238669904 344817812 /nfs/dbraw/zinc/81/78/12/344817812.db2.gz LZPBYZUYWVXSPK-SSDOTTSWSA-N 0 3 171.240 2.297 10 0 AEAEHN N[C@H](CF)c1ccc2[nH]ccc2c1 238685832 344818916 /nfs/dbraw/zinc/81/89/16/344818916.db2.gz UCVLUCMSORVUEO-SECBINFHSA-N 0 3 178.210 2.137 10 0 AEAEHN N[C@@H](c1ccco1)[C@@H]1[C@H]2CCC[C@H]21 250091520 344830054 /nfs/dbraw/zinc/83/00/54/344830054.db2.gz PYDKNHOFNHGPHM-URPMGSGRSA-N 0 3 177.247 2.326 10 0 AEAEHN c1coc(CNC[C@H]2C[C@@H]3C[C@@H]3C2)c1 250093955 344830142 /nfs/dbraw/zinc/83/01/42/344830142.db2.gz RHLRRIUQTBEHHE-JGPRNRPPSA-N 0 3 191.274 2.415 10 0 AEAEHN N[C@]1(c2cncs2)[C@H]2CCCC[C@H]21 250750589 344840551 /nfs/dbraw/zinc/84/05/51/344840551.db2.gz CTENXTLATMFMCY-MBTKJCJQSA-N 0 3 194.303 2.117 10 0 AEAEHN N[C@]1(c2cscn2)[C@H]2CCCC[C@H]21 250760284 344840576 /nfs/dbraw/zinc/84/05/76/344840576.db2.gz HZVBJYVYSBVXII-MBTKJCJQSA-N 0 3 194.303 2.117 10 0 AEAEHN C[C@H](N(C)[C@H]1CCCC1=O)C(C)(C)C 251022671 344844239 /nfs/dbraw/zinc/84/42/39/344844239.db2.gz DKVJHDHOWCGZJM-UWVGGRQHSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)CN1C[C@H](C)CC[C@H]1C 251184928 344848594 /nfs/dbraw/zinc/84/85/94/344848594.db2.gz AQBDNSJCSQUKMS-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)CN1C[C@@H](C)CC[C@H]1C 251184932 344848634 /nfs/dbraw/zinc/84/86/34/344848634.db2.gz AQBDNSJCSQUKMS-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)CN1CC[C@H](C)C[C@H]1C 251207419 344848809 /nfs/dbraw/zinc/84/88/09/344848809.db2.gz IQVWPYAIPKAFSK-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)[C@H](C)N1CCCC[C@H]1C 251195062 344849159 /nfs/dbraw/zinc/84/91/59/344849159.db2.gz DTFVTDOTFJWZSO-ZJUUUORDSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC(=O)CN1CC[C@@H](C)C[C@H]1C 251207418 344849202 /nfs/dbraw/zinc/84/92/02/344849202.db2.gz IQVWPYAIPKAFSK-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCCC[C@H]1C 251195057 344849262 /nfs/dbraw/zinc/84/92/62/344849262.db2.gz DTFVTDOTFJWZSO-NXEZZACHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@H](C(C)C)N1CCC(=O)C[C@H]1C 251216012 344849640 /nfs/dbraw/zinc/84/96/40/344849640.db2.gz FHFHXCLQLXZVOP-ZYHUDNBSSA-N 0 3 197.322 2.474 10 0 AEAEHN CC[C@@H](C(C)C)N1CCC(=O)C[C@H]1C 251216011 344849728 /nfs/dbraw/zinc/84/97/28/344849728.db2.gz FHFHXCLQLXZVOP-PWSUYJOCSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC[C@H](C)[C@H]1C 251246535 344850436 /nfs/dbraw/zinc/85/04/36/344850436.db2.gz USOANBNRZRLTMV-AXFHLTTASA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC[C@@H](C)[C@H]1C 251246536 344850451 /nfs/dbraw/zinc/85/04/51/344850451.db2.gz USOANBNRZRLTMV-MXWKQRLJSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N1C[C@H](C)CC[C@H]1C 251243402 344850531 /nfs/dbraw/zinc/85/05/31/344850531.db2.gz TZHZRMOBRDRQGL-MXWKQRLJSA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)[C@H](C)N1CC[C@H](C)C[C@H]1C 251242173 344850606 /nfs/dbraw/zinc/85/06/06/344850606.db2.gz TYAAXAMJMHOCKO-AXFHLTTASA-N 0 3 197.322 2.474 10 0 AEAEHN CCC(=O)CN1CCC[C@H](C)[C@H]1C 251262011 344850973 /nfs/dbraw/zinc/85/09/73/344850973.db2.gz YNYJBIHOTWWNHZ-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@H](C)N1CCC(=O)C[C@H]1C 251388038 344853343 /nfs/dbraw/zinc/85/33/43/344853343.db2.gz XMMPBUBUZDPNMH-VHSXEESVSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC[C@@H](C)N1CCC(=O)C[C@H]1C 251388036 344853368 /nfs/dbraw/zinc/85/33/68/344853368.db2.gz XMMPBUBUZDPNMH-NXEZZACHSA-N 0 3 183.295 2.228 10 0 AEAEHN CC[C@H](C)[C@@H](C)N1CCC(=O)C[C@H]1C 251572263 344858538 /nfs/dbraw/zinc/85/85/38/344858538.db2.gz BEVKVUUVJICXDF-HBNTYKKESA-N 0 3 197.322 2.474 10 0 AEAEHN CC[C@H](C)[C@H](C)N1CCC(=O)C[C@H]1C 251572257 344858596 /nfs/dbraw/zinc/85/85/96/344858596.db2.gz BEVKVUUVJICXDF-AXFHLTTASA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@H]1[C@H](C)CCC[C@]1(N)C(F)F 251603212 344860468 /nfs/dbraw/zinc/86/04/68/344860468.db2.gz CSWRSZQDBQWYGO-BKPPORCPSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H]1[C@H](C)CCC[C@@]1(N)C(F)F 251603213 344860701 /nfs/dbraw/zinc/86/07/01/344860701.db2.gz CSWRSZQDBQWYGO-FJXKBIBVSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@@H]1OC[C@H](CC(C)C)N[C@H]1C 251679797 344866025 /nfs/dbraw/zinc/86/60/25/344866025.db2.gz PDSJESVDBFWEDT-DCAQKATOSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@H](N)c1csc([C@H]2C[C@H]2C)n1 251744939 344869826 /nfs/dbraw/zinc/86/98/26/344869826.db2.gz CYKMKMNGYDUHGB-VQVTYTSYSA-N 0 3 182.292 2.286 10 0 AEAEHN C[C@H](N)c1csc([C@@H]2C[C@H]2C)n1 251744933 344870133 /nfs/dbraw/zinc/87/01/33/344870133.db2.gz CYKMKMNGYDUHGB-DSYKOEDSSA-N 0 3 182.292 2.286 10 0 AEAEHN C[C@@H]1CCN1[C@H](C)c1ccccc1N 251772183 344872014 /nfs/dbraw/zinc/87/20/14/344872014.db2.gz VHCJVSIYQMGOLC-NXEZZACHSA-N 0 3 190.290 2.424 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N([C@H]2CCCC2=O)C1 251769607 344872163 /nfs/dbraw/zinc/87/21/63/344872163.db2.gz KOWCTSUYHLVSJR-MXWKQRLJSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@H]1CC[C@@H](C)CN1[C@H]1CCCC1=O 251769611 344872220 /nfs/dbraw/zinc/87/22/20/344872220.db2.gz KOWCTSUYHLVSJR-VWYCJHECSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H]1C[C@@H]1c1ccc([C@H]2CCN2)o1 251784044 344873244 /nfs/dbraw/zinc/87/32/44/344873244.db2.gz FQISUUVZFJBECW-HRDYMLBCSA-N 0 3 177.247 2.437 10 0 AEAEHN C[C@@H]1C[C@H]1c1ccc([C@H]2CCN2)o1 251784047 344873315 /nfs/dbraw/zinc/87/33/15/344873315.db2.gz FQISUUVZFJBECW-IWSPIJDZSA-N 0 3 177.247 2.437 10 0 AEAEHN CC[C@]1(C)CSC(N[C@@H]2C[C@H]2C)=N1 251824396 344875424 /nfs/dbraw/zinc/87/54/24/344875424.db2.gz ZVRXAFGDCWMBOE-NQMVMOMDSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CC[C@@](N)(C(F)F)C[C@H]1C 251841895 344875987 /nfs/dbraw/zinc/87/59/87/344875987.db2.gz OGFRATFKEVOKFT-BHNWBGBOSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H]1CC[C@](N)(C(F)F)C[C@H]1C 251841896 344876045 /nfs/dbraw/zinc/87/60/45/344876045.db2.gz OGFRATFKEVOKFT-ZXFLCMHBSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H]1CN([C@H](C)CC2CC2)CCC1=O 251854489 344877290 /nfs/dbraw/zinc/87/72/90/344877290.db2.gz RUJKYYAQALNGQS-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@H]1CCC[C@@H](C)[C@]1(N)C(F)F 251871913 344878047 /nfs/dbraw/zinc/87/80/47/344878047.db2.gz QPCQWWTVBZNPNU-SRSLHRDFSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@H]1CCCN([C@H](C)C(C)=O)CC1 251871282 344878182 /nfs/dbraw/zinc/87/81/82/344878182.db2.gz UKPFSNWQKYVJQM-PWSUYJOCSA-N 0 3 197.322 2.476 10 0 AEAEHN CC[C@@H]1CCCN([C@H](C)C(C)=O)CC1 251871286 344878245 /nfs/dbraw/zinc/87/82/45/344878245.db2.gz UKPFSNWQKYVJQM-ZYHUDNBSSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)[C@@H](C)CN1CCC(=O)[C@H](C)C1 251920158 344880850 /nfs/dbraw/zinc/88/08/50/344880850.db2.gz XWXJWXXJRWUZBW-WDEREUQCSA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@H](N)c1cnc([C@@H]2C[C@H]2C)s1 252094862 344884479 /nfs/dbraw/zinc/88/44/79/344884479.db2.gz HQHCZRSIAKEUSS-DSYKOEDSSA-N 0 3 182.292 2.286 10 0 AEAEHN C[C@H](N)c1cnc([C@H]2C[C@H]2C)s1 252094863 344884629 /nfs/dbraw/zinc/88/46/29/344884629.db2.gz HQHCZRSIAKEUSS-VQVTYTSYSA-N 0 3 182.292 2.286 10 0 AEAEHN CC(=O)[C@H](C)N1CC[C@H](C)C[C@@H]1C 252105707 344884953 /nfs/dbraw/zinc/88/49/53/344884953.db2.gz GZGPKWXYLMGWHP-GUBZILKMSA-N 0 3 183.295 2.084 10 0 AEAEHN CC(=O)[C@H](C)N1CCC[C@H](C)[C@@H]1C 252108441 344885423 /nfs/dbraw/zinc/88/54/23/344885423.db2.gz HKBXDGCFZKDCOE-GUBZILKMSA-N 0 3 183.295 2.084 10 0 AEAEHN C[C@H]1CCCN([C@H]2CCCC2=O)CC1 252130993 344887009 /nfs/dbraw/zinc/88/70/09/344887009.db2.gz KUBJKQXSKSWSIZ-QWRGUYRKSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H]1CCCN([C@H]2CCCC2=O)CC1 252130992 344887274 /nfs/dbraw/zinc/88/72/74/344887274.db2.gz KUBJKQXSKSWSIZ-MNOVXSKESA-N 0 3 195.306 2.230 10 0 AEAEHN CC(=O)[C@@H](C)N1CCCCC[C@H]1C 252140480 344887723 /nfs/dbraw/zinc/88/77/23/344887723.db2.gz MEQYQBJNUZVZDE-NXEZZACHSA-N 0 3 183.295 2.228 10 0 AEAEHN C[C@H]1C[C@@H](C)C[C@](N)(C(F)F)C1 252161428 344888882 /nfs/dbraw/zinc/88/88/82/344888882.db2.gz PWTZXAMVHOYFKJ-SRSLHRDFSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@@H]1[C@@H](NC2=NCCS2)CC[C@H]1C 252192764 344891141 /nfs/dbraw/zinc/89/11/41/344891141.db2.gz VDFIUJDTTJWQNE-VGMNWLOBSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H]1[C@H](C)CC[C@H]1NC1=NCCS1 252192762 344891174 /nfs/dbraw/zinc/89/11/74/344891174.db2.gz VDFIUJDTTJWQNE-HRDYMLBCSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1CN=C(N[C@@H]2CCC[C@H]2C)S1 252199734 344891596 /nfs/dbraw/zinc/89/15/96/344891596.db2.gz TUIRIJUYUMRVQN-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CN=C(N[C@H]2CCC[C@H]2C)S1 252199732 344891708 /nfs/dbraw/zinc/89/17/08/344891708.db2.gz TUIRIJUYUMRVQN-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CCC[C@@H]1N1CCC(=O)C[C@H]1C 252220012 344893237 /nfs/dbraw/zinc/89/32/37/344893237.db2.gz YUESDBYIDVQDTR-FOGDFJRCSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H]1CCC[C@H]1N1CCC(=O)C[C@H]1C 252220011 344893337 /nfs/dbraw/zinc/89/33/37/344893337.db2.gz YUESDBYIDVQDTR-CKYFFXLPSA-N 0 3 195.306 2.228 10 0 AEAEHN C[C@@H]1CCCN([C@H]2CCCCC2=O)C1 252427524 344895441 /nfs/dbraw/zinc/89/54/41/344895441.db2.gz ZODWBUHLIJDQRC-MNOVXSKESA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H]1CCCCN1[C@H]1CCCCC1=O 252425553 344895501 /nfs/dbraw/zinc/89/55/01/344895501.db2.gz OHQGQHKPKPMMIJ-QWRGUYRKSA-N 0 3 195.306 2.373 10 0 AEAEHN C[C@H](C1CC1)N(C)[C@H]1CCCCC1=O 252424122 344895506 /nfs/dbraw/zinc/89/55/06/344895506.db2.gz FCOYWYIMZHFNGU-KOLCDFICSA-N 0 3 195.306 2.228 10 0 AEAEHN CC[C@@H]1CCCCN1[C@H]1CCCC1=O 252424884 344895574 /nfs/dbraw/zinc/89/55/74/344895574.db2.gz JXFPYWNIFGSDTM-MNOVXSKESA-N 0 3 195.306 2.373 10 0 AEAEHN C[C@H]1CCCN([C@H]2CCCCC2=O)C1 252427525 344895594 /nfs/dbraw/zinc/89/55/94/344895594.db2.gz ZODWBUHLIJDQRC-QWRGUYRKSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@H]1CCCN([C@H](C)C(C)=O)C1 252424679 344895606 /nfs/dbraw/zinc/89/56/06/344895606.db2.gz ISAWORMFVKJLBU-KOLCDFICSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H]1CCCCN1[C@H]1CCCC1=O 252424885 344895645 /nfs/dbraw/zinc/89/56/45/344895645.db2.gz JXFPYWNIFGSDTM-QWRGUYRKSA-N 0 3 195.306 2.373 10 0 AEAEHN C[C@@H](C1CC1)N(C)[C@H]1CCCCC1=O 252424123 344895665 /nfs/dbraw/zinc/89/56/65/344895665.db2.gz FCOYWYIMZHFNGU-ONGXEEELSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(C)[C@@H](C)N1CCC(=O)C[C@H]1C 252439267 344896512 /nfs/dbraw/zinc/89/65/12/344896512.db2.gz MLERLFKZVYFSDW-NXEZZACHSA-N 0 3 183.295 2.084 10 0 AEAEHN CC(C)C[C@@H](C)N1CCC(=O)C[C@H]1C 252439906 344897221 /nfs/dbraw/zinc/89/72/21/344897221.db2.gz UOIRHWIDGABSES-GHMZBOCLSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H]1CC(=O)CCN1[C@H](C)CC1CC1 252464021 344898090 /nfs/dbraw/zinc/89/80/90/344898090.db2.gz XXZMAYNHRLHLJW-NXEZZACHSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(C)[C@@H](C)CN1CCC(=O)C[C@H]1C 252475506 344899461 /nfs/dbraw/zinc/89/94/61/344899461.db2.gz QFIVJIIUVXNJFN-WDEREUQCSA-N 0 3 197.322 2.332 10 0 AEAEHN N[C@]1(c2ccco2)[C@H]2CCCC[C@H]21 252573711 344902219 /nfs/dbraw/zinc/90/22/19/344902219.db2.gz FEQVYFIIFODROA-JZYVYDRUSA-N 0 3 177.247 2.254 10 0 AEAEHN N[C@]1(c2ccoc2)[C@H]2CCCC[C@H]21 252579855 344902718 /nfs/dbraw/zinc/90/27/18/344902718.db2.gz OUXCDSZKCCVNJX-URLYPYJESA-N 0 3 177.247 2.254 10 0 AEAEHN N[C@]1(c2cccs2)[C@H]2CCC[C@H]21 252580666 344902951 /nfs/dbraw/zinc/90/29/51/344902951.db2.gz QTFBPAPXEQKARP-MBTKJCJQSA-N 0 3 179.288 2.332 10 0 AEAEHN CC[C@H](C)CN1CCC(=O)[C@H](C)[C@H]1C 252593951 344903749 /nfs/dbraw/zinc/90/37/49/344903749.db2.gz GEUJVVZZPYSHBV-HBNTYKKESA-N 0 3 197.322 2.332 10 0 AEAEHN CC[C@H](C)CN1CCC(=O)[C@@H](C)[C@H]1C 252593950 344903890 /nfs/dbraw/zinc/90/38/90/344903890.db2.gz GEUJVVZZPYSHBV-GARJFASQSA-N 0 3 197.322 2.332 10 0 AEAEHN CCCCN1CCC(=O)[C@@H](C)[C@H]1C 252601319 344903993 /nfs/dbraw/zinc/90/39/93/344903993.db2.gz MGRJLJICTOYJGN-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CCCCN1CCC(=O)[C@H](C)[C@H]1C 252601318 344904082 /nfs/dbraw/zinc/90/40/82/344904082.db2.gz MGRJLJICTOYJGN-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H](C)N1CCC(=O)[C@H](C)[C@H]1C 252613357 344904718 /nfs/dbraw/zinc/90/47/18/344904718.db2.gz XEGFAQKQALYUMA-IVZWLZJFSA-N 0 3 183.295 2.084 10 0 AEAEHN CC[C@H](C)N1CCC(=O)[C@@H](C)[C@H]1C 252613358 344904885 /nfs/dbraw/zinc/90/48/85/344904885.db2.gz XEGFAQKQALYUMA-LPEHRKFASA-N 0 3 183.295 2.084 10 0 AEAEHN C[C@@H]1NC[C@H](CC(C)(C)C)O[C@H]1C 252651441 344906137 /nfs/dbraw/zinc/90/61/37/344906137.db2.gz MXRPCANJSPSBOF-GUBZILKMSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@@H]1NC[C@H](C2CCCCC2)O[C@H]1C 252651435 344906317 /nfs/dbraw/zinc/90/63/17/344906317.db2.gz MSSKFFHFZYUTQV-JBLDHEPKSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H]1CC[C@H]([C@@H](F)CN)C[C@H]1C 252737790 344911279 /nfs/dbraw/zinc/91/12/79/344911279.db2.gz CRZKZJUFEJQUDC-IMSYWVGJSA-N 0 3 173.275 2.356 10 0 AEAEHN C[C@H]1C[C@@H](C)C[C@H]([C@H](F)CN)C1 252760764 344912329 /nfs/dbraw/zinc/91/23/29/344912329.db2.gz WXTRHRPGWJAQHO-XFWSIPNHSA-N 0 3 173.275 2.356 10 0 AEAEHN C[C@H]1C[C@@H](C)C[C@H]([C@@H](F)CN)C1 252760762 344912443 /nfs/dbraw/zinc/91/24/43/344912443.db2.gz WXTRHRPGWJAQHO-JLIMGVALSA-N 0 3 173.275 2.356 10 0 AEAEHN Cc1ccoc1[C@]1(N)[C@H]2CCC[C@H]21 252822804 344915137 /nfs/dbraw/zinc/91/51/37/344915137.db2.gz BBCOEHGAWOTHOO-DOFRTFSJSA-N 0 3 177.247 2.172 10 0 AEAEHN CC(C)[C@H]1CCN([C@H]2CCCC2=O)C1 252846943 344915944 /nfs/dbraw/zinc/91/59/44/344915944.db2.gz FUVUJYRSFIAIRG-QWRGUYRKSA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@H]1CCN([C@H]2CCCCC2=O)C1 252848333 344916114 /nfs/dbraw/zinc/91/61/14/344916114.db2.gz GNFOIVJLZGNUCC-QWRGUYRKSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(C)[C@@H]1CCN([C@H]2CCCC2=O)C1 252846941 344916142 /nfs/dbraw/zinc/91/61/42/344916142.db2.gz FUVUJYRSFIAIRG-MNOVXSKESA-N 0 3 195.306 2.086 10 0 AEAEHN CC[C@@H]1CCN([C@H]2CCCCC2=O)C1 252848332 344916164 /nfs/dbraw/zinc/91/61/64/344916164.db2.gz GNFOIVJLZGNUCC-MNOVXSKESA-N 0 3 195.306 2.230 10 0 AEAEHN CCC[C@H]1CCN([C@H]2CCCC2=O)C1 252868842 344917402 /nfs/dbraw/zinc/91/74/02/344917402.db2.gz RRDOXMAVIOPLPN-QWRGUYRKSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H]1CN([C@H](C)C(C)(C)C)CCC1=O 252896671 344918295 /nfs/dbraw/zinc/91/82/95/344918295.db2.gz BXVAYTCCMAQDAX-NXEZZACHSA-N 0 3 197.322 2.332 10 0 AEAEHN CC1CC(N2CCC(=O)[C@H](C)[C@H]2C)C1 252909877 344918654 /nfs/dbraw/zinc/91/86/54/344918654.db2.gz BGUMDGWRXHCROI-WYNUPADASA-N 0 3 195.306 2.084 10 0 AEAEHN C[C@@H](CN1CCC(=O)C[C@H]1C)C1CC1 252909577 344918719 /nfs/dbraw/zinc/91/87/19/344918719.db2.gz AHKLKXISNOAGPC-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN C[C@@H]1CC(=O)CCN1[C@H](C)C(C)(C)C 252905492 344918903 /nfs/dbraw/zinc/91/89/03/344918903.db2.gz SCRTWAIXOOCKQY-NXEZZACHSA-N 0 3 197.322 2.474 10 0 AEAEHN C[C@@H]1CSC(N[C@@H]2C[C@H]2C)=N[C@@H]1C 252962841 344922985 /nfs/dbraw/zinc/92/29/85/344922985.db2.gz VXRHOLAGIROHNS-FNCVBFRFSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@@H]1CSC(N[C@@H]2C[C@H]2C)=N[C@H]1C 252962935 344923165 /nfs/dbraw/zinc/92/31/65/344923165.db2.gz VXRHOLAGIROHNS-LURQLKTLSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@@H]1CSC(N[C@@H]2C[C@@H]2C)=N[C@@H]1C 252962842 344923282 /nfs/dbraw/zinc/92/32/82/344923282.db2.gz VXRHOLAGIROHNS-JQCXWYLXSA-N 0 3 198.335 2.112 10 0 AEAEHN CC(C)[C@@H]1CN=C(N[C@@H]2C[C@H]2C)S1 253029631 344924769 /nfs/dbraw/zinc/92/47/69/344924769.db2.gz QJDKNLQOGIGTJU-HLTSFMKQSA-N 0 3 198.335 2.112 10 0 AEAEHN CC[C@@H]1CCSC(N[C@@H]2C[C@H]2C)=N1 253031479 344924788 /nfs/dbraw/zinc/92/47/88/344924788.db2.gz SATSUCKNLPPOFC-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CCSC(N[C@H]2C[C@H]2C)=N1 253031478 344924864 /nfs/dbraw/zinc/92/48/64/344924864.db2.gz SATSUCKNLPPOFC-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)[C@@H]1CN=C(N[C@H]2C[C@H]2C)S1 253029632 344924886 /nfs/dbraw/zinc/92/48/86/344924886.db2.gz QJDKNLQOGIGTJU-VGMNWLOBSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@H]1CC[C@H](NC2=NCCS2)CC1 253128354 344927820 /nfs/dbraw/zinc/92/78/20/344927820.db2.gz MYZXSAYVHWBGBY-KYZUINATSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@H](N)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 253164615 344928932 /nfs/dbraw/zinc/92/89/32/344928932.db2.gz PZEZSJUNQRYAOS-ZDCRXTMVSA-N 0 3 197.322 2.365 10 0 AEAEHN CC[C@H](N)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 253164611 344929027 /nfs/dbraw/zinc/92/90/27/344929027.db2.gz PZEZSJUNQRYAOS-DBIOUOCHSA-N 0 3 197.322 2.365 10 0 AEAEHN CC[C@H](N)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 253164613 344929055 /nfs/dbraw/zinc/92/90/55/344929055.db2.gz PZEZSJUNQRYAOS-MMWGEVLESA-N 0 3 197.322 2.365 10 0 AEAEHN CC(N)=C(C#N)N=Nc1ccccc1 254736547 344936363 /nfs/dbraw/zinc/93/63/63/344936363.db2.gz ODNJSVMUVGXTFY-UHFFFAOYSA-N 0 3 186.218 2.018 10 0 AEAEHN CNC[C@H](F)Cc1ccccc1C 257820863 344942511 /nfs/dbraw/zinc/94/25/11/344942511.db2.gz FSVLCKNINBBSOO-LLVKDONJSA-N 0 3 181.254 2.095 10 0 AEAEHN CNC[C@@H](F)Cc1ccccc1C 257820866 344942522 /nfs/dbraw/zinc/94/25/22/344942522.db2.gz FSVLCKNINBBSOO-NSHDSACASA-N 0 3 181.254 2.095 10 0 AEAEHN CNC[C@H](F)Cc1cccc(C)c1 257833621 344942665 /nfs/dbraw/zinc/94/26/65/344942665.db2.gz KJPXDMDPNGWUBJ-LLVKDONJSA-N 0 3 181.254 2.095 10 0 AEAEHN CNC[C@@H](F)Cc1cccc(C)c1 257833622 344942709 /nfs/dbraw/zinc/94/27/09/344942709.db2.gz KJPXDMDPNGWUBJ-NSHDSACASA-N 0 3 181.254 2.095 10 0 AEAEHN CNC[C@H](F)Cc1ccc(C)cc1 257912924 344943136 /nfs/dbraw/zinc/94/31/36/344943136.db2.gz QOJDZQIHLQWKFC-LLVKDONJSA-N 0 3 181.254 2.095 10 0 AEAEHN CNC[C@@H](F)Cc1ccc(C)cc1 257912926 344943363 /nfs/dbraw/zinc/94/33/63/344943363.db2.gz QOJDZQIHLQWKFC-NSHDSACASA-N 0 3 181.254 2.095 10 0 AEAEHN NCc1c(F)ccc2occc12 258014407 344943743 /nfs/dbraw/zinc/94/37/43/344943743.db2.gz NHOWYGKCMRPLSS-UHFFFAOYSA-N 0 3 165.167 2.031 10 0 AEAEHN CNC[C@H](F)CC1CCCC1 258521287 344944173 /nfs/dbraw/zinc/94/41/73/344944173.db2.gz MICOMYMJKLDFIT-SECBINFHSA-N 0 3 159.248 2.124 10 0 AEAEHN CNC[C@@H](F)CC1CCCC1 258521289 344944256 /nfs/dbraw/zinc/94/42/56/344944256.db2.gz MICOMYMJKLDFIT-VIFPVBQESA-N 0 3 159.248 2.124 10 0 AEAEHN CNC[C@H](F)C1CCCCC1 258601554 344944803 /nfs/dbraw/zinc/94/48/03/344944803.db2.gz UZFCGBYMZGWLHX-VIFPVBQESA-N 0 3 159.248 2.124 10 0 AEAEHN CNC[C@@H](F)C1CCCCC1 258601540 344944944 /nfs/dbraw/zinc/94/49/44/344944944.db2.gz UZFCGBYMZGWLHX-SECBINFHSA-N 0 3 159.248 2.124 10 0 AEAEHN CCN(C)Cc1ccc(C)o1 259084561 344947616 /nfs/dbraw/zinc/94/76/16/344947616.db2.gz MZPNBPNKAQDMCO-UHFFFAOYSA-N 0 3 153.225 2.040 10 0 AEAEHN CC(C)Cc1csc([C@@H](C)N)n1 259325282 344948175 /nfs/dbraw/zinc/94/81/75/344948175.db2.gz RYNRTGRMCMEUAJ-SSDOTTSWSA-N 0 3 184.308 2.361 10 0 AEAEHN CN(C)Cc1ccc(F)c(F)c1 260055161 344951828 /nfs/dbraw/zinc/95/18/28/344951828.db2.gz MRLKOQMKKILENK-UHFFFAOYSA-N 0 3 171.190 2.026 10 0 AEAEHN Cc1ccc(CN(C)C(C)C)o1 260179714 344952612 /nfs/dbraw/zinc/95/26/12/344952612.db2.gz SIPDINGGQKNQDF-UHFFFAOYSA-N 0 3 167.252 2.428 10 0 AEAEHN C[C@@H]1C[C@@H]1N[C@H]1CCc2cccnc21 299897211 344959050 /nfs/dbraw/zinc/95/90/50/344959050.db2.gz OYGXZHUFIWDSEZ-MIMYLULJSA-N 0 3 188.274 2.067 10 0 AEAEHN C[C@@H]1C[C@H]1N[C@H]1CCc2cccnc21 299897210 344959085 /nfs/dbraw/zinc/95/90/85/344959085.db2.gz OYGXZHUFIWDSEZ-DVVUODLYSA-N 0 3 188.274 2.067 10 0 AEAEHN CN[C@H](C)c1ccoc1Cl 300058705 344968630 /nfs/dbraw/zinc/96/86/30/344968630.db2.gz FTQIQWVJQUOVCP-RXMQYKEDSA-N 0 3 159.616 2.213 10 0 AEAEHN CC[C@@H]1O[C@H](CC(C)C)CN[C@H]1C 300231662 344972263 /nfs/dbraw/zinc/97/22/63/344972263.db2.gz DHRATHJJTRBCDP-AXFHLTTASA-N 0 3 185.311 2.188 10 0 AEAEHN CC[C@@H]1O[C@@H](CC(C)C)CN[C@H]1C 300231663 344972419 /nfs/dbraw/zinc/97/24/19/344972419.db2.gz DHRATHJJTRBCDP-DCAQKATOSA-N 0 3 185.311 2.188 10 0 AEAEHN CC(C)[C@@H]1CSC(N[C@@H]2C[C@H]2C)=N1 300340239 344974119 /nfs/dbraw/zinc/97/41/19/344974119.db2.gz YMJRGTCVDDZDBI-HLTSFMKQSA-N 0 3 198.335 2.112 10 0 AEAEHN CO[C@H]1CC[C@H](Nc2ccncc2)C1 300361261 344976915 /nfs/dbraw/zinc/97/69/15/344976915.db2.gz AGDLZAZUUZCQNC-QWRGUYRKSA-N 0 3 192.262 2.061 10 0 AEAEHN CCC[C@@H]1C[C@@H]1Nc1cccc(N)n1 300365079 344977338 /nfs/dbraw/zinc/97/73/38/344977338.db2.gz PNHFHACBDDAUPU-BDAKNGLRSA-N 0 3 191.278 2.264 10 0 AEAEHN CCC[C@@H]1C[C@H]1NC1=NC[C@H](C)S1 300373499 344978332 /nfs/dbraw/zinc/97/83/32/344978332.db2.gz ALBKOZAFTXJBNB-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN CCC[C@@H]1C[C@@H]1NC1=NC[C@H](C)S1 300373501 344978419 /nfs/dbraw/zinc/97/84/19/344978419.db2.gz ALBKOZAFTXJBNB-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN CCC[C@@H]1C[C@@H]1NC1=NC[C@@H](C)S1 300373500 344978490 /nfs/dbraw/zinc/97/84/90/344978490.db2.gz ALBKOZAFTXJBNB-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1C[C@H]1NC1=NC[C@H](C)CS1 300376286 344978974 /nfs/dbraw/zinc/97/89/74/344978974.db2.gz DQUDDRAHUQLZLM-DJLDLDEBSA-N 0 3 198.335 2.113 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=NC[C@H](C)CS1 300376288 344979038 /nfs/dbraw/zinc/97/90/38/344979038.db2.gz DQUDDRAHUQLZLM-YIZRAAEISA-N 0 3 198.335 2.113 10 0 AEAEHN CCS[C@H]1CCC[C@@H]1NCCF 300380791 344979563 /nfs/dbraw/zinc/97/95/63/344979563.db2.gz DOOSUEBAKCHWCX-IUCAKERBSA-N 0 3 191.315 2.220 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=N[C@H](C)CCS1 300384519 344980012 /nfs/dbraw/zinc/98/00/12/344980012.db2.gz MMLUZHODOMPUAU-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1C[C@H]1NC1=N[C@H](C)CCS1 300384520 344980186 /nfs/dbraw/zinc/98/01/86/344980186.db2.gz MMLUZHODOMPUAU-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)C[C@H](C)[C@H]1CNC[C@@H](C)O1 300716979 344982607 /nfs/dbraw/zinc/98/26/07/344982607.db2.gz JELPCAIYFBQZFH-HBNTYKKESA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)C[C@H](C)[C@@H]1CNC[C@H](C)O1 300716977 344982683 /nfs/dbraw/zinc/98/26/83/344982683.db2.gz JELPCAIYFBQZFH-DCAQKATOSA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)C[C@H](C)[C@H]1CNC[C@H](C)O1 300716978 344982885 /nfs/dbraw/zinc/98/28/85/344982885.db2.gz JELPCAIYFBQZFH-GARJFASQSA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)C[C@H](C)[C@@H]1CNC[C@@H](C)O1 300716976 344982905 /nfs/dbraw/zinc/98/29/05/344982905.db2.gz JELPCAIYFBQZFH-AXFHLTTASA-N 0 3 185.311 2.046 10 0 AEAEHN C(CC1CCCCC1)=C1CNC1 300726685 344983635 /nfs/dbraw/zinc/98/36/35/344983635.db2.gz DINYRTQYWFLIKE-UHFFFAOYSA-N 0 3 165.280 2.486 10 0 AEAEHN CC(C)(C)CCC=C1CNC1 300754743 344989620 /nfs/dbraw/zinc/98/96/20/344989620.db2.gz TUVZWLYIZDQYKW-UHFFFAOYSA-N 0 3 153.269 2.342 10 0 AEAEHN CC1(C)CC[C@@H](n2cnc(CN)c2)C1 300761731 344991749 /nfs/dbraw/zinc/99/17/49/344991749.db2.gz WSRZWRJKHIPBNB-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN CC1(C)CC[C@H](n2cnc(CN)c2)C1 300761730 344992106 /nfs/dbraw/zinc/99/21/06/344992106.db2.gz WSRZWRJKHIPBNB-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CC1(C)[C@@H](N)[C@]1(C)c1cccs1 300770832 344994375 /nfs/dbraw/zinc/99/43/75/344994375.db2.gz QGEMOPUEUHBHIX-SCZZXKLOSA-N 0 3 181.304 2.373 10 0 AEAEHN CC1(C)[C@@H](N)[C@@]1(C)c1cccs1 300770831 344994421 /nfs/dbraw/zinc/99/44/21/344994421.db2.gz QGEMOPUEUHBHIX-PSASIEDQSA-N 0 3 181.304 2.373 10 0 AEAEHN CC1(C)[C@H](N)[C@@]1(C)c1cccs1 300770833 344994976 /nfs/dbraw/zinc/99/49/76/344994976.db2.gz QGEMOPUEUHBHIX-WCBMZHEXSA-N 0 3 181.304 2.373 10 0 AEAEHN CC1(C)[C@H](N)[C@]1(C)c1cccs1 300770834 344995159 /nfs/dbraw/zinc/99/51/59/344995159.db2.gz QGEMOPUEUHBHIX-WPRPVWTQSA-N 0 3 181.304 2.373 10 0 AEAEHN CC1(C)[C@@H](N)[C@]1(C)c1ccsc1 300783845 344996979 /nfs/dbraw/zinc/99/69/79/344996979.db2.gz VUGVKUJEOZEZPW-SCZZXKLOSA-N 0 3 181.304 2.373 10 0 AEAEHN CC1(C)[C@@H](N)[C@@]1(C)c1ccsc1 300783841 344997211 /nfs/dbraw/zinc/99/72/11/344997211.db2.gz VUGVKUJEOZEZPW-PSASIEDQSA-N 0 3 181.304 2.373 10 0 AEAEHN CC1(C)[C@H](N)[C@@]1(C)c1ccsc1 300783850 344997223 /nfs/dbraw/zinc/99/72/23/344997223.db2.gz VUGVKUJEOZEZPW-WCBMZHEXSA-N 0 3 181.304 2.373 10 0 AEAEHN CC1(C)[C@H](N)[C@]1(C)c1ccsc1 300783855 344997256 /nfs/dbraw/zinc/99/72/56/344997256.db2.gz VUGVKUJEOZEZPW-WPRPVWTQSA-N 0 3 181.304 2.373 10 0 AEAEHN C(CC1CCCC1)=C1CNC1 300793131 344998954 /nfs/dbraw/zinc/99/89/54/344998954.db2.gz UEXNQLOTVAWNNW-UHFFFAOYSA-N 0 3 151.253 2.096 10 0 AEAEHN C1CCCC([C@H]2CNCCO2)CCC1 300837108 345004051 /nfs/dbraw/zinc/00/40/51/345004051.db2.gz IVWDKCYDWBRNJQ-GFCCVEGCSA-N 0 3 197.322 2.335 10 0 AEAEHN C1CCCC([C@@H]2CNCCO2)CCC1 300837110 345004257 /nfs/dbraw/zinc/00/42/57/345004257.db2.gz IVWDKCYDWBRNJQ-LBPRGKRZSA-N 0 3 197.322 2.335 10 0 AEAEHN CC(C)C[C@H](C)CNCc1ncc[nH]1 300869542 345007514 /nfs/dbraw/zinc/00/75/14/345007514.db2.gz HLAAJCWOEJKDJR-JTQLQIEISA-N 0 3 195.310 2.182 10 0 AEAEHN CC(C)C[C@@H](C)CNCc1ncc[nH]1 300869544 345007747 /nfs/dbraw/zinc/00/77/47/345007747.db2.gz HLAAJCWOEJKDJR-SNVBAGLBSA-N 0 3 195.310 2.182 10 0 AEAEHN CCNCc1cc(C)c(C)o1 300877301 345008283 /nfs/dbraw/zinc/00/82/83/345008283.db2.gz MCBQRXFHONWNTM-UHFFFAOYSA-N 0 3 153.225 2.006 10 0 AEAEHN Cc1cccc(NCCN(C)C)c1F 300885595 345009115 /nfs/dbraw/zinc/00/91/15/345009115.db2.gz ASERNJRXFPXZEY-UHFFFAOYSA-N 0 3 196.269 2.108 10 0 AEAEHN CCCC(=N)Nc1cncc(F)c1 300913482 345012635 /nfs/dbraw/zinc/01/26/35/345012635.db2.gz FRYKPKAMKUDYHF-UHFFFAOYSA-N 0 3 181.214 2.410 10 0 AEAEHN FC1(F)CCC[C@H](C=C2CNC2)C1 300918313 345013069 /nfs/dbraw/zinc/01/30/69/345013069.db2.gz DSEQSAJUIATPID-MRVPVSSYSA-N 0 3 187.233 2.342 10 0 AEAEHN FC1(F)CCC[C@@H](C=C2CNC2)C1 300918314 345013288 /nfs/dbraw/zinc/01/32/88/345013288.db2.gz DSEQSAJUIATPID-QMMMGPOBSA-N 0 3 187.233 2.342 10 0 AEAEHN CC(C)C(=N)Nc1cncc(F)c1 300943953 345016603 /nfs/dbraw/zinc/01/66/03/345016603.db2.gz KMVCWSHHEUKZLI-UHFFFAOYSA-N 0 3 181.214 2.266 10 0 AEAEHN CC(C)C[C@@H](C)C=C1CNC1 300954178 345018448 /nfs/dbraw/zinc/01/84/48/345018448.db2.gz QBIFKBLDBQDBJF-SECBINFHSA-N 0 3 153.269 2.198 10 0 AEAEHN CC(C)C[C@H](C)C=C1CNC1 300954180 345018378 /nfs/dbraw/zinc/01/83/78/345018378.db2.gz QBIFKBLDBQDBJF-VIFPVBQESA-N 0 3 153.269 2.198 10 0 AEAEHN CC(C)C[C@@H](C)[C@H]1NCCS1 301001170 345024119 /nfs/dbraw/zinc/02/41/19/345024119.db2.gz XDLBYATVQWRTOS-BDAKNGLRSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)C[C@H](C)[C@@H]1NCCS1 301001171 345024034 /nfs/dbraw/zinc/02/40/34/345024034.db2.gz XDLBYATVQWRTOS-DTWKUNHWSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)C[C@H](C)[C@H]1NCCS1 301001172 345024080 /nfs/dbraw/zinc/02/40/80/345024080.db2.gz XDLBYATVQWRTOS-IUCAKERBSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)C[C@@H](C)[C@@H]1NCCS1 301001173 345024276 /nfs/dbraw/zinc/02/42/76/345024276.db2.gz XDLBYATVQWRTOS-RKDXNWHRSA-N 0 3 173.325 2.331 10 0 AEAEHN Cc1ccc([C@]2(C)[C@@H](N)C2(C)C)o1 301009061 345025143 /nfs/dbraw/zinc/02/51/43/345025143.db2.gz NYWUPYIGAAMUOJ-GXSJLCMTSA-N 0 3 179.263 2.213 10 0 AEAEHN Cc1ccc([C@@]2(C)[C@H](N)C2(C)C)o1 301009062 345025165 /nfs/dbraw/zinc/02/51/65/345025165.db2.gz NYWUPYIGAAMUOJ-KOLCDFICSA-N 0 3 179.263 2.213 10 0 AEAEHN Cc1ccc([C@@]2(C)[C@@H](N)C2(C)C)o1 301009064 345025210 /nfs/dbraw/zinc/02/52/10/345025210.db2.gz NYWUPYIGAAMUOJ-ONGXEEELSA-N 0 3 179.263 2.213 10 0 AEAEHN Cc1ccc([C@]2(C)[C@H](N)C2(C)C)o1 301009063 345025243 /nfs/dbraw/zinc/02/52/43/345025243.db2.gz NYWUPYIGAAMUOJ-MWLCHTKSSA-N 0 3 179.263 2.213 10 0 AEAEHN CC[C@]1(c2ccco2)[C@@H](N)C1(C)C 301033175 345030339 /nfs/dbraw/zinc/03/03/39/345030339.db2.gz VTTVEKMFKCRUPN-ONGXEEELSA-N 0 3 179.263 2.295 10 0 AEAEHN CC[C@@]1(c2ccco2)[C@@H](N)C1(C)C 301033172 345030613 /nfs/dbraw/zinc/03/06/13/345030613.db2.gz VTTVEKMFKCRUPN-GXSJLCMTSA-N 0 3 179.263 2.295 10 0 AEAEHN CC[C@]1(c2ccco2)[C@H](N)C1(C)C 301033173 345030619 /nfs/dbraw/zinc/03/06/19/345030619.db2.gz VTTVEKMFKCRUPN-KOLCDFICSA-N 0 3 179.263 2.295 10 0 AEAEHN CC[C@@]1(c2ccco2)[C@H](N)C1(C)C 301033174 345030664 /nfs/dbraw/zinc/03/06/64/345030664.db2.gz VTTVEKMFKCRUPN-MWLCHTKSSA-N 0 3 179.263 2.295 10 0 AEAEHN CC[C@H]1CCN(Cc2cncs2)C1 306148866 345037795 /nfs/dbraw/zinc/03/77/95/345037795.db2.gz CVYCWXAWJMLXDH-VIFPVBQESA-N 0 3 196.319 2.375 10 0 AEAEHN C[C@H]1CC[C@]12N[C@H](C)CCS2 306149655 345038398 /nfs/dbraw/zinc/03/83/98/345038398.db2.gz BHJFCHJZUZDFEH-DJLDLDEBSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CCS[C@]2(CC[C@H]2C)N1 306149662 345038514 /nfs/dbraw/zinc/03/85/14/345038514.db2.gz BHJFCHJZUZDFEH-HLTSFMKQSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CC[C@@]12N[C@H](C)CCS2 306149667 345038990 /nfs/dbraw/zinc/03/89/90/345038990.db2.gz BHJFCHJZUZDFEH-YIZRAAEISA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CCS[C@@]2(CC[C@H]2C)N1 306149666 345039051 /nfs/dbraw/zinc/03/90/51/345039051.db2.gz BHJFCHJZUZDFEH-IWSPIJDZSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CSC(N[C@@H]2CCC2(C)C)=N1 306150876 345040101 /nfs/dbraw/zinc/04/01/01/345040101.db2.gz GTEKPWMOXQQHEQ-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CSC(N[C@H]2CCC2(C)C)=N1 306150878 345040138 /nfs/dbraw/zinc/04/01/38/345040138.db2.gz GTEKPWMOXQQHEQ-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CSC(N[C@@H]2CCC2(C)C)=N1 306150874 345040177 /nfs/dbraw/zinc/04/01/77/345040177.db2.gz GTEKPWMOXQQHEQ-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CN[C@]2(CC[C@H]3C[C@H]32)SC1 306151362 345040697 /nfs/dbraw/zinc/04/06/97/345040697.db2.gz CWEYRNFBKWHMNY-UTINFBMNSA-N 0 3 183.320 2.085 10 0 AEAEHN C[C@@H]1CN[C@]2(CC[C@@H]3C[C@@H]32)SC1 306151359 345041086 /nfs/dbraw/zinc/04/10/86/345041086.db2.gz CWEYRNFBKWHMNY-DOLQZWNJSA-N 0 3 183.320 2.085 10 0 AEAEHN C[C@H]1CSC(N[C@H]2CCC2(C)C)=N1 306151518 345041378 /nfs/dbraw/zinc/04/13/78/345041378.db2.gz GTEKPWMOXQQHEQ-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN CC1(C)CCCN(CCF)CC1 306151681 345041575 /nfs/dbraw/zinc/04/15/75/345041575.db2.gz GQWLTRTYTYYNID-UHFFFAOYSA-N 0 3 173.275 2.468 10 0 AEAEHN Cc1oncc1CN[C@@H]1CCC[C@@H]1C 306153382 345044051 /nfs/dbraw/zinc/04/40/51/345044051.db2.gz AWUHXLHSBQVUOZ-GZMMTYOYSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1oncc1CN[C@@H]1CCC[C@H]1C 306153385 345044262 /nfs/dbraw/zinc/04/42/62/345044262.db2.gz AWUHXLHSBQVUOZ-LDYMZIIASA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1oncc1CN[C@H]1CCC[C@H]1C 306153383 345044422 /nfs/dbraw/zinc/04/44/22/345044422.db2.gz AWUHXLHSBQVUOZ-KCJUWKMLSA-N 0 3 194.278 2.261 10 0 AEAEHN N[C@H](c1ccc[nH]1)[C@H]1CCCCS1 306157199 345047878 /nfs/dbraw/zinc/04/78/78/345047878.db2.gz JMMQXEYLPGVPNX-NXEZZACHSA-N 0 3 196.319 2.300 10 0 AEAEHN N[C@@H](c1ccc[nH]1)[C@@H]1CCCCS1 306157201 345047896 /nfs/dbraw/zinc/04/78/96/345047896.db2.gz JMMQXEYLPGVPNX-UWVGGRQHSA-N 0 3 196.319 2.300 10 0 AEAEHN N[C@@H](c1ccc[nH]1)[C@H]1CCCCS1 306157205 345047913 /nfs/dbraw/zinc/04/79/13/345047913.db2.gz JMMQXEYLPGVPNX-ZJUUUORDSA-N 0 3 196.319 2.300 10 0 AEAEHN N[C@H](c1ccc[nH]1)[C@@H]1CCCCS1 306157203 345048014 /nfs/dbraw/zinc/04/80/14/345048014.db2.gz JMMQXEYLPGVPNX-VHSXEESVSA-N 0 3 196.319 2.300 10 0 AEAEHN Nc1ccncc1C1=CCCC1 306158382 345048201 /nfs/dbraw/zinc/04/82/01/345048201.db2.gz BMGQKRUJHGIVOZ-UHFFFAOYSA-N 0 3 160.220 2.231 10 0 AEAEHN Cc1ccc([C@@H](N)C2CC2)nc1C 306158425 345048641 /nfs/dbraw/zinc/04/86/41/345048641.db2.gz JTGDGQWSLDMOOF-NSHDSACASA-N 0 3 176.263 2.108 10 0 AEAEHN Cc1ccc([C@H](N)C2CC2)nc1C 306158420 345048850 /nfs/dbraw/zinc/04/88/50/345048850.db2.gz JTGDGQWSLDMOOF-LLVKDONJSA-N 0 3 176.263 2.108 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccco1 306161239 345052342 /nfs/dbraw/zinc/05/23/42/345052342.db2.gz DSTAZYYBIHKSSK-SECBINFHSA-N 0 3 165.236 2.264 10 0 AEAEHN CC[C@H]1CCN1Cc1ccco1 306161243 345052504 /nfs/dbraw/zinc/05/25/04/345052504.db2.gz DSTAZYYBIHKSSK-VIFPVBQESA-N 0 3 165.236 2.264 10 0 AEAEHN C[C@H](c1cccc(N)c1)N1CCC1 306163897 345054822 /nfs/dbraw/zinc/05/48/22/345054822.db2.gz AZHBVAMOYJICIE-SECBINFHSA-N 0 3 176.263 2.036 10 0 AEAEHN C[C@@H](c1cccc(N)c1)N1CCC1 306163898 345054885 /nfs/dbraw/zinc/05/48/85/345054885.db2.gz AZHBVAMOYJICIE-VIFPVBQESA-N 0 3 176.263 2.036 10 0 AEAEHN C[C@H]1CSCCN1c1ccncc1 306165436 345056351 /nfs/dbraw/zinc/05/63/51/345056351.db2.gz TZHXSISBRMNCDV-VIFPVBQESA-N 0 3 194.303 2.023 10 0 AEAEHN C[C@@H]1CSCCN1c1ccncc1 306165433 345056798 /nfs/dbraw/zinc/05/67/98/345056798.db2.gz TZHXSISBRMNCDV-SECBINFHSA-N 0 3 194.303 2.023 10 0 AEAEHN C[C@H]1C[C@]2(NC[C@@H](C)CS2)[C@@H]1C 306165714 345057207 /nfs/dbraw/zinc/05/72/07/345057207.db2.gz WDRQQRRTIHSYBI-UTINFBMNSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@H]1C[C@]2(NC[C@@H](C)CS2)[C@H]1C 306165715 345057291 /nfs/dbraw/zinc/05/72/91/345057291.db2.gz WDRQQRRTIHSYBI-XFWSIPNHSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@@H]1CN[C@]2(C[C@@H](C)[C@H]2C)SC1 306165716 345057425 /nfs/dbraw/zinc/05/74/25/345057425.db2.gz WDRQQRRTIHSYBI-ZYUZMQFOSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@H]1[C@H](C)C[C@]12NC[C@@H](C)CS2 306165713 345057431 /nfs/dbraw/zinc/05/74/31/345057431.db2.gz WDRQQRRTIHSYBI-DOLQZWNJSA-N 0 3 185.336 2.331 10 0 AEAEHN NC[C@H](F)Cc1sccc1Cl 306167396 345058532 /nfs/dbraw/zinc/05/85/32/345058532.db2.gz NAILFJKVTBBOIF-RXMQYKEDSA-N 0 3 193.674 2.241 10 0 AEAEHN CC[C@H](N)c1ccc(C)c(C)n1 306167383 345058559 /nfs/dbraw/zinc/05/85/59/345058559.db2.gz MVGDVMBXNFEBNY-VIFPVBQESA-N 0 3 164.252 2.108 10 0 AEAEHN NC[C@@H](F)Cc1sccc1Cl 306167397 345058895 /nfs/dbraw/zinc/05/88/95/345058895.db2.gz NAILFJKVTBBOIF-YFKPBYRVSA-N 0 3 193.674 2.241 10 0 AEAEHN C[C@H]1CCCN(Cc2cncs2)C1 306170003 345061746 /nfs/dbraw/zinc/06/17/46/345061746.db2.gz YQNCZTJJFMQXPM-VIFPVBQESA-N 0 3 196.319 2.375 10 0 AEAEHN NC1(c2snc3ccccc23)CC1 306173758 345064933 /nfs/dbraw/zinc/06/49/33/345064933.db2.gz FVSBPSJIXJODJT-UHFFFAOYSA-N 0 3 190.271 2.244 10 0 AEAEHN C[C@@H]1C[C@@H]1c1cscc1CN 306174927 345065337 /nfs/dbraw/zinc/06/53/37/345065337.db2.gz VPUGKRCWRGBBPP-SVRRBLITSA-N 0 3 167.277 2.330 10 0 AEAEHN CC(C)[C@H](C)[C@@H]1CNCC(C)(C)O1 306174871 345065447 /nfs/dbraw/zinc/06/54/47/345065447.db2.gz VHSACMKDBFPACL-UWVGGRQHSA-N 0 3 185.311 2.046 10 0 AEAEHN C[C@H]1C[C@@H]1c1cscc1CN 306174929 345065470 /nfs/dbraw/zinc/06/54/70/345065470.db2.gz VPUGKRCWRGBBPP-XPUUQOCRSA-N 0 3 167.277 2.330 10 0 AEAEHN CC(C)[C@@H](C)[C@@H]1CNCC(C)(C)O1 306174875 345065484 /nfs/dbraw/zinc/06/54/84/345065484.db2.gz VHSACMKDBFPACL-ZJUUUORDSA-N 0 3 185.311 2.046 10 0 AEAEHN C[C@@H]1C[C@H]1c1cscc1CN 306174923 345065503 /nfs/dbraw/zinc/06/55/03/345065503.db2.gz VPUGKRCWRGBBPP-HTRCEHHLSA-N 0 3 167.277 2.330 10 0 AEAEHN CC(C)[C@@H](C)[C@H]1CNCC(C)(C)O1 306174869 345065512 /nfs/dbraw/zinc/06/55/12/345065512.db2.gz VHSACMKDBFPACL-NXEZZACHSA-N 0 3 185.311 2.046 10 0 AEAEHN CC(C)[C@H](C)[C@H]1CNCC(C)(C)O1 306174873 345065516 /nfs/dbraw/zinc/06/55/16/345065516.db2.gz VHSACMKDBFPACL-VHSXEESVSA-N 0 3 185.311 2.046 10 0 AEAEHN C[C@H]1C[C@H]1c1cscc1CN 306174926 345065580 /nfs/dbraw/zinc/06/55/80/345065580.db2.gz VPUGKRCWRGBBPP-POYBYMJQSA-N 0 3 167.277 2.330 10 0 AEAEHN Cc1occc1[C@H]1NCC12CCC2 306175141 345065811 /nfs/dbraw/zinc/06/58/11/345065811.db2.gz WAPOYLHAGBYHNF-SNVBAGLBSA-N 0 3 177.247 2.403 10 0 AEAEHN Cc1occc1[C@@H]1NCC12CCC2 306175137 345065920 /nfs/dbraw/zinc/06/59/20/345065920.db2.gz WAPOYLHAGBYHNF-JTQLQIEISA-N 0 3 177.247 2.403 10 0 AEAEHN CCCSc1cnccc1N 306175539 345066122 /nfs/dbraw/zinc/06/61/22/345066122.db2.gz IOSLSVULLSHLCY-UHFFFAOYSA-N 0 3 168.265 2.166 10 0 AEAEHN FC(F)(F)[C@@H]1CCN(C2CCC2)C1 306175730 345066460 /nfs/dbraw/zinc/06/64/60/345066460.db2.gz NEZMWRVKYYSMAA-SSDOTTSWSA-N 0 3 193.212 2.423 10 0 AEAEHN FC(F)(F)[C@H]1CCN(C2CCC2)C1 306175734 345066509 /nfs/dbraw/zinc/06/65/09/345066509.db2.gz NEZMWRVKYYSMAA-ZETCQYMHSA-N 0 3 193.212 2.423 10 0 AEAEHN NC[C@@H](F)c1cc(F)c(F)cc1F 306178532 345069294 /nfs/dbraw/zinc/06/92/94/345069294.db2.gz SLTRSICQDMFBDR-MRVPVSSYSA-N 0 3 193.143 2.073 10 0 AEAEHN NC[C@H](F)c1cc(F)c(F)cc1F 306178535 345069635 /nfs/dbraw/zinc/06/96/35/345069635.db2.gz SLTRSICQDMFBDR-QMMMGPOBSA-N 0 3 193.143 2.073 10 0 AEAEHN Cc1ccc(CN[C@H]2CC[C@H]2C)nc1 306179215 345070631 /nfs/dbraw/zinc/07/06/31/345070631.db2.gz VDRUJCSDWSHRHB-PWSUYJOCSA-N 0 3 190.290 2.278 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC[C@H]2C)nc1 306179216 345070638 /nfs/dbraw/zinc/07/06/38/345070638.db2.gz VDRUJCSDWSHRHB-ZYHUDNBSSA-N 0 3 190.290 2.278 10 0 AEAEHN Cc1ccc(CN[C@H]2CC[C@@H]2C)nc1 306179214 345070693 /nfs/dbraw/zinc/07/06/93/345070693.db2.gz VDRUJCSDWSHRHB-JQWIXIFHSA-N 0 3 190.290 2.278 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC[C@@H]2C)nc1 306179213 345070860 /nfs/dbraw/zinc/07/08/60/345070860.db2.gz VDRUJCSDWSHRHB-CMPLNLGQSA-N 0 3 190.290 2.278 10 0 AEAEHN C[C@@H]1CCNc2ccncc2S1 306181694 345072802 /nfs/dbraw/zinc/07/28/02/345072802.db2.gz QWWNUXHUOPNXQB-SSDOTTSWSA-N 0 3 180.276 2.378 10 0 AEAEHN CC1(C[C@@H](F)CN)CCCC1 306183972 345075224 /nfs/dbraw/zinc/07/52/24/345075224.db2.gz LCERJZWPNBQUNJ-MRVPVSSYSA-N 0 3 159.248 2.254 10 0 AEAEHN F[C@@H]1CCCN(c2ccncc2)C1 306181848 345072940 /nfs/dbraw/zinc/07/29/40/345072940.db2.gz VRVZXAJQUVOWIW-SECBINFHSA-N 0 3 180.226 2.020 10 0 AEAEHN F[C@H]1CCCN(c2ccncc2)C1 306181849 345073032 /nfs/dbraw/zinc/07/30/32/345073032.db2.gz VRVZXAJQUVOWIW-VIFPVBQESA-N 0 3 180.226 2.020 10 0 AEAEHN C[C@H]1CCNc2ccncc2S1 306181695 345073059 /nfs/dbraw/zinc/07/30/59/345073059.db2.gz QWWNUXHUOPNXQB-ZETCQYMHSA-N 0 3 180.276 2.378 10 0 AEAEHN F[C@@H]1CC[C@@H](NCc2ccoc2)C1 306182436 345073413 /nfs/dbraw/zinc/07/34/13/345073413.db2.gz XNQPIZBXCJTUTD-NXEZZACHSA-N 0 3 183.226 2.260 10 0 AEAEHN F[C@H]1CC[C@H](NCc2ccoc2)C1 306182437 345073422 /nfs/dbraw/zinc/07/34/22/345073422.db2.gz XNQPIZBXCJTUTD-UWVGGRQHSA-N 0 3 183.226 2.260 10 0 AEAEHN CC1(C[C@H](F)CN)CCCC1 306183976 345075294 /nfs/dbraw/zinc/07/52/94/345075294.db2.gz LCERJZWPNBQUNJ-QMMMGPOBSA-N 0 3 159.248 2.254 10 0 AEAEHN CC1(C)CSC[C@H](NCCF)C1 306187767 345078454 /nfs/dbraw/zinc/07/84/54/345078454.db2.gz FRJPAODULUKOID-MRVPVSSYSA-N 0 3 191.315 2.077 10 0 AEAEHN CC1(C)CSC[C@@H](NCCF)C1 306187768 345078617 /nfs/dbraw/zinc/07/86/17/345078617.db2.gz FRJPAODULUKOID-QMMMGPOBSA-N 0 3 191.315 2.077 10 0 AEAEHN C[C@H]1CSC[C@H]1NCc1ccoc1 306191495 345081206 /nfs/dbraw/zinc/08/12/06/345081206.db2.gz OZBDDUJAQQNCJU-WCBMZHEXSA-N 0 3 197.303 2.121 10 0 AEAEHN FC(F)CCNc1ccncc1 306191295 345081432 /nfs/dbraw/zinc/08/14/32/345081432.db2.gz GDPNRLHANMTXMZ-UHFFFAOYSA-N 0 3 172.178 2.149 10 0 AEAEHN C[C@H]1CSC[C@@H]1NCc1ccoc1 306191497 345081496 /nfs/dbraw/zinc/08/14/96/345081496.db2.gz OZBDDUJAQQNCJU-WPRPVWTQSA-N 0 3 197.303 2.121 10 0 AEAEHN NCc1cccc(Cl)c1N1CCC1 306192018 345082001 /nfs/dbraw/zinc/08/20/01/345082001.db2.gz YZGSDEADQGHVIK-UHFFFAOYSA-N 0 3 196.681 2.009 10 0 AEAEHN CC(C)(N)c1ccc(C(F)F)cn1 306193100 345083011 /nfs/dbraw/zinc/08/30/11/345083011.db2.gz DITGAYLVJRKLOX-UHFFFAOYSA-N 0 3 186.205 2.213 10 0 AEAEHN CC[C@H](F)CN1CCC1(C)C 306220810 345113685 /nfs/dbraw/zinc/11/36/85/345113685.db2.gz ORWVFFZYRSQJDD-QMMMGPOBSA-N 0 3 159.248 2.219 10 0 AEAEHN Fc1cccc(F)c1[C@@H]1C=CCN1 306203210 345092337 /nfs/dbraw/zinc/09/23/37/345092337.db2.gz XIWLJTGASBGXNN-VIFPVBQESA-N 0 3 181.185 2.165 10 0 AEAEHN Fc1ccc([C@H]2C=CCN2)c(F)c1 306203182 345092560 /nfs/dbraw/zinc/09/25/60/345092560.db2.gz OPDVDYMXZZXXEZ-SNVBAGLBSA-N 0 3 181.185 2.165 10 0 AEAEHN Fc1cccc(F)c1[C@H]1C=CCN1 306203208 345092600 /nfs/dbraw/zinc/09/26/00/345092600.db2.gz XIWLJTGASBGXNN-SECBINFHSA-N 0 3 181.185 2.165 10 0 AEAEHN Cc1ccccc1NCCN1CCC1 306203772 345092907 /nfs/dbraw/zinc/09/29/07/345092907.db2.gz MYNFSDIUOHUHFF-UHFFFAOYSA-N 0 3 190.290 2.113 10 0 AEAEHN Cc1cc([C@H](N)[C@@H]2C[C@@H]2C)sn1 306204828 345093532 /nfs/dbraw/zinc/09/35/32/345093532.db2.gz ODCIGTGPHWSYNK-MTQIGAJGSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1cc([C@H](N)[C@H]2C[C@@H]2C)sn1 306204836 345093694 /nfs/dbraw/zinc/09/36/94/345093694.db2.gz ODCIGTGPHWSYNK-XWDQLLGVSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1cc([C@H](N)[C@@H]2C[C@H]2C)sn1 306204834 345093732 /nfs/dbraw/zinc/09/37/32/345093732.db2.gz ODCIGTGPHWSYNK-SLBFFKMLSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1cc([C@H](N)[C@H]2C[C@H]2C)sn1 306204838 345093927 /nfs/dbraw/zinc/09/39/27/345093927.db2.gz ODCIGTGPHWSYNK-XZKCWBSRSA-N 0 3 182.292 2.107 10 0 AEAEHN Fc1cc(F)c([C@@H]2C=CCN2)cc1F 306205799 345095053 /nfs/dbraw/zinc/09/50/53/345095053.db2.gz PAJUBAZZDKCEFS-JTQLQIEISA-N 0 3 199.175 2.304 10 0 AEAEHN Fc1cc(F)c([C@H]2C=CCN2)cc1F 306205800 345095189 /nfs/dbraw/zinc/09/51/89/345095189.db2.gz PAJUBAZZDKCEFS-SNVBAGLBSA-N 0 3 199.175 2.304 10 0 AEAEHN CCC1([C@H](N)c2ccncc2F)CC1 306206649 345095809 /nfs/dbraw/zinc/09/58/09/345095809.db2.gz QDUWXEBHLUMQRE-SNVBAGLBSA-N 0 3 194.253 2.411 10 0 AEAEHN CCC1([C@@H](N)c2ccncc2F)CC1 306206648 345096019 /nfs/dbraw/zinc/09/60/19/345096019.db2.gz QDUWXEBHLUMQRE-JTQLQIEISA-N 0 3 194.253 2.411 10 0 AEAEHN C[C@H]1CC[C@@]12NCC[C@@H](C)S2 306212286 345101791 /nfs/dbraw/zinc/10/17/91/345101791.db2.gz RPBMJHHRKXMTFM-YIZRAAEISA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CC[C@]12NCC[C@@H](C)S2 306212283 345101899 /nfs/dbraw/zinc/10/18/99/345101899.db2.gz RPBMJHHRKXMTFM-DJLDLDEBSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CCN[C@]2(CC[C@H]2C)S1 306212285 345102029 /nfs/dbraw/zinc/10/20/29/345102029.db2.gz RPBMJHHRKXMTFM-IWSPIJDZSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CCN[C@@]2(CC[C@H]2C)S1 306212284 345102229 /nfs/dbraw/zinc/10/22/29/345102229.db2.gz RPBMJHHRKXMTFM-HLTSFMKQSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@@H]1CCN1Cc1scnc1C 306213167 345103222 /nfs/dbraw/zinc/10/32/22/345103222.db2.gz LDVRUCANNNIUBW-SECBINFHSA-N 0 3 196.319 2.436 10 0 AEAEHN CC[C@H]1CCN1Cc1scnc1C 306213168 345103391 /nfs/dbraw/zinc/10/33/91/345103391.db2.gz LDVRUCANNNIUBW-VIFPVBQESA-N 0 3 196.319 2.436 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2ccsn2)C1 306214365 345104999 /nfs/dbraw/zinc/10/49/99/345104999.db2.gz YMVOROZOVMAUSO-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CC[C@](N)(c2ccsn2)C1 306214364 345105031 /nfs/dbraw/zinc/10/50/31/345105031.db2.gz YMVOROZOVMAUSO-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2ccsn2)C1 306214362 345105350 /nfs/dbraw/zinc/10/53/50/345105350.db2.gz YMVOROZOVMAUSO-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2ccsn2)C1 306214363 345105411 /nfs/dbraw/zinc/10/54/11/345105411.db2.gz YMVOROZOVMAUSO-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN CC[C@@H](NC)c1cc(C)ns1 306215217 345106331 /nfs/dbraw/zinc/10/63/31/345106331.db2.gz YUZYNYVFWKWYDZ-SSDOTTSWSA-N 0 3 170.281 2.122 10 0 AEAEHN CC[C@H](NC)c1cc(C)ns1 306215219 345106487 /nfs/dbraw/zinc/10/64/87/345106487.db2.gz YUZYNYVFWKWYDZ-ZETCQYMHSA-N 0 3 170.281 2.122 10 0 AEAEHN CCC[C@H](N)c1ccc2c(n1)CCC2 306216862 345108194 /nfs/dbraw/zinc/10/81/94/345108194.db2.gz LSTBMCDZVWHCLA-JTQLQIEISA-N 0 3 190.290 2.370 10 0 AEAEHN CCCCN1C[C@H](C)O[C@H](C)[C@H]1C 306219166 345111182 /nfs/dbraw/zinc/11/11/82/345111182.db2.gz GDTUEJLRLNLJNE-HBNTYKKESA-N 0 3 185.311 2.284 10 0 AEAEHN CCCCN1C[C@H](C)O[C@H](C)[C@@H]1C 306219165 345111500 /nfs/dbraw/zinc/11/15/00/345111500.db2.gz GDTUEJLRLNLJNE-GARJFASQSA-N 0 3 185.311 2.284 10 0 AEAEHN CCCCN1C[C@H](C)O[C@@H](C)[C@@H]1C 306219164 345111530 /nfs/dbraw/zinc/11/15/30/345111530.db2.gz GDTUEJLRLNLJNE-DCAQKATOSA-N 0 3 185.311 2.284 10 0 AEAEHN CCCCN1C[C@H](C)O[C@@H](C)[C@H]1C 306219163 345111674 /nfs/dbraw/zinc/11/16/74/345111674.db2.gz GDTUEJLRLNLJNE-AXFHLTTASA-N 0 3 185.311 2.284 10 0 AEAEHN CN[C@H](c1ccccc1)c1ccc[nH]1 306219483 345111919 /nfs/dbraw/zinc/11/19/19/345111919.db2.gz MRTRGWZQROFMST-GFCCVEGCSA-N 0 3 186.258 2.324 10 0 AEAEHN CN[C@@H](c1ccccc1)c1ccc[nH]1 306219484 345111948 /nfs/dbraw/zinc/11/19/48/345111948.db2.gz MRTRGWZQROFMST-LBPRGKRZSA-N 0 3 186.258 2.324 10 0 AEAEHN CC[C@@H](F)CN1CCC1(C)C 306220809 345113709 /nfs/dbraw/zinc/11/37/09/345113709.db2.gz ORWVFFZYRSQJDD-MRVPVSSYSA-N 0 3 159.248 2.219 10 0 AEAEHN CCNC1=N[C@H](CC)[C@H](CC)S1 306222699 345115476 /nfs/dbraw/zinc/11/54/76/345115476.db2.gz KPBJDZJJOQZNIO-SFYZADRCSA-N 0 3 186.324 2.256 10 0 AEAEHN CCNC1=N[C@H](CC)[C@@H](CC)S1 306222697 345115499 /nfs/dbraw/zinc/11/54/99/345115499.db2.gz KPBJDZJJOQZNIO-HTQZYQBOSA-N 0 3 186.324 2.256 10 0 AEAEHN Clc1cccc(CNC2CCC2)n1 306222917 345115848 /nfs/dbraw/zinc/11/58/48/345115848.db2.gz XWVJEHAZFVWGTM-UHFFFAOYSA-N 0 3 196.681 2.377 10 0 AEAEHN C[C@@H](N)c1cccc(F)c1N1CCC1 306222923 345116027 /nfs/dbraw/zinc/11/60/27/345116027.db2.gz XXTBNCLIOIIZAD-MRVPVSSYSA-N 0 3 194.253 2.056 10 0 AEAEHN COc1ccncc1[C@@H](N)C(C)(C)C 306224539 345117596 /nfs/dbraw/zinc/11/75/96/345117596.db2.gz DQQOALPPZHJKEE-SNVBAGLBSA-N 0 3 194.278 2.136 10 0 AEAEHN CC1CC(NCc2cccnc2F)C1 306224450 345117644 /nfs/dbraw/zinc/11/76/44/345117644.db2.gz TZKLIFHIXBZFPK-UHFFFAOYSA-N 0 3 194.253 2.109 10 0 AEAEHN COc1ccncc1[C@H](N)C(C)(C)C 306224537 345117725 /nfs/dbraw/zinc/11/77/25/345117725.db2.gz DQQOALPPZHJKEE-JTQLQIEISA-N 0 3 194.278 2.136 10 0 AEAEHN CCC[C@@]1(C2CCCC2)CNCCO1 306228843 345122007 /nfs/dbraw/zinc/12/20/07/345122007.db2.gz FSWHWINBGABIPL-LBPRGKRZSA-N 0 3 197.322 2.335 10 0 AEAEHN CCC[C@]1(C2CCCC2)CNCCO1 306228842 345122132 /nfs/dbraw/zinc/12/21/32/345122132.db2.gz FSWHWINBGABIPL-GFCCVEGCSA-N 0 3 197.322 2.335 10 0 AEAEHN Cc1ccc([C@H](N)C(C)C)nc1C 306236433 345129265 /nfs/dbraw/zinc/12/92/65/345129265.db2.gz HLLZHEBOPVSEPK-LLVKDONJSA-N 0 3 178.279 2.354 10 0 AEAEHN Cc1ccc([C@@H](N)C(C)C)nc1C 306236436 345129455 /nfs/dbraw/zinc/12/94/55/345129455.db2.gz HLLZHEBOPVSEPK-NSHDSACASA-N 0 3 178.279 2.354 10 0 AEAEHN CN[C@H]1CCc2c(OC)ccc(F)c21 306237571 345130280 /nfs/dbraw/zinc/13/02/80/345130280.db2.gz IHAOSKRIAJYQOL-VIFPVBQESA-N 0 3 195.237 2.041 10 0 AEAEHN CN[C@@H]1CCc2c(OC)ccc(F)c21 306237564 345130347 /nfs/dbraw/zinc/13/03/47/345130347.db2.gz IHAOSKRIAJYQOL-SECBINFHSA-N 0 3 195.237 2.041 10 0 AEAEHN COc1ccc([C@H](N)C=C(C)C)cn1 306238334 345130782 /nfs/dbraw/zinc/13/07/82/345130782.db2.gz IQMLCGFFHNEYSL-SNVBAGLBSA-N 0 3 192.262 2.056 10 0 AEAEHN COc1ccc([C@@H](N)C=C(C)C)cn1 306238333 345130886 /nfs/dbraw/zinc/13/08/86/345130886.db2.gz IQMLCGFFHNEYSL-JTQLQIEISA-N 0 3 192.262 2.056 10 0 AEAEHN C[C@H]1CC[C@@H]1NCc1ccco1 306239661 345132622 /nfs/dbraw/zinc/13/26/22/345132622.db2.gz SKARMIBUDDWFNH-WPRPVWTQSA-N 0 3 165.236 2.168 10 0 AEAEHN C[C@H]1CC[C@H]1NCc1ccco1 306239660 345132640 /nfs/dbraw/zinc/13/26/40/345132640.db2.gz SKARMIBUDDWFNH-WCBMZHEXSA-N 0 3 165.236 2.168 10 0 AEAEHN N[C@@H](C1=COCC1)c1cccs1 306244289 345136092 /nfs/dbraw/zinc/13/60/92/345136092.db2.gz XTLPXKODWDIQAA-VIFPVBQESA-N 0 3 181.260 2.052 10 0 AEAEHN N[C@H](C1=COCC1)c1cccs1 306244288 345136120 /nfs/dbraw/zinc/13/61/20/345136120.db2.gz XTLPXKODWDIQAA-SECBINFHSA-N 0 3 181.260 2.052 10 0 AEAEHN CC[C@@](C)(N)c1c(F)cccc1OC 306246268 345138301 /nfs/dbraw/zinc/13/83/01/345138301.db2.gz OEBWVQNFKZOELL-LLVKDONJSA-N 0 3 197.253 2.418 10 0 AEAEHN CC[C@](C)(N)c1c(F)cccc1OC 306246269 345138324 /nfs/dbraw/zinc/13/83/24/345138324.db2.gz OEBWVQNFKZOELL-NSHDSACASA-N 0 3 197.253 2.418 10 0 AEAEHN CC1(C)CNc2ccncc2S1 306252496 345144357 /nfs/dbraw/zinc/14/43/57/345144357.db2.gz MMINSRZZCGHMIH-UHFFFAOYSA-N 0 3 180.276 2.378 10 0 AEAEHN CC[C@@H](C)[C@@H](C)C1(O)CCN(C)CC1 306253593 345144837 /nfs/dbraw/zinc/14/48/37/345144837.db2.gz SXDIJMBGTHNWRU-GHMZBOCLSA-N 0 3 199.338 2.125 10 0 AEAEHN CC[C@@H](C)[C@H](C)C1(O)CCN(C)CC1 306253594 345144950 /nfs/dbraw/zinc/14/49/50/345144950.db2.gz SXDIJMBGTHNWRU-MNOVXSKESA-N 0 3 199.338 2.125 10 0 AEAEHN CC[C@H](C)[C@@H](C)C1(O)CCN(C)CC1 306253596 345145259 /nfs/dbraw/zinc/14/52/59/345145259.db2.gz SXDIJMBGTHNWRU-WDEREUQCSA-N 0 3 199.338 2.125 10 0 AEAEHN CC(C)CN1CC[C@H](C)[C@@H](F)C1 306255702 345146825 /nfs/dbraw/zinc/14/68/25/345146825.db2.gz XIJDBMIQMKEPMH-UWVGGRQHSA-N 0 3 173.275 2.322 10 0 AEAEHN c1csc([C@@H]2NCC23CCCC3)n1 306255453 345146835 /nfs/dbraw/zinc/14/68/35/345146835.db2.gz SZSUOPZFDLEGNF-QMMMGPOBSA-N 0 3 194.303 2.348 10 0 AEAEHN CC(C)CN1CC[C@@H](C)[C@H](F)C1 306255701 345146885 /nfs/dbraw/zinc/14/68/85/345146885.db2.gz XIJDBMIQMKEPMH-NXEZZACHSA-N 0 3 173.275 2.322 10 0 AEAEHN c1csc([C@H]2NCC23CCCC3)n1 306255450 345146993 /nfs/dbraw/zinc/14/69/93/345146993.db2.gz SZSUOPZFDLEGNF-MRVPVSSYSA-N 0 3 194.303 2.348 10 0 AEAEHN CC(C)CN1CC[C@H](C)[C@H](F)C1 306255703 345147035 /nfs/dbraw/zinc/14/70/35/345147035.db2.gz XIJDBMIQMKEPMH-VHSXEESVSA-N 0 3 173.275 2.322 10 0 AEAEHN CC(C)CN1CC[C@@H](C)[C@@H](F)C1 306255704 345147118 /nfs/dbraw/zinc/14/71/18/345147118.db2.gz XIJDBMIQMKEPMH-ZJUUUORDSA-N 0 3 173.275 2.322 10 0 AEAEHN Cc1cncc([C@@H](F)C(C)(C)N)c1 306262305 345152317 /nfs/dbraw/zinc/15/23/17/345152317.db2.gz XFRAUTIMEQQVDN-SECBINFHSA-N 0 3 182.242 2.138 10 0 AEAEHN Cc1cncc([C@H](F)C(C)(C)N)c1 306262306 345152631 /nfs/dbraw/zinc/15/26/31/345152631.db2.gz XFRAUTIMEQQVDN-VIFPVBQESA-N 0 3 182.242 2.138 10 0 AEAEHN CC(C)NC1=NC[C@H](C2CCC2)S1 306263056 345153209 /nfs/dbraw/zinc/15/32/09/345153209.db2.gz ZZMCWUYQKYIUMY-SECBINFHSA-N 0 3 198.335 2.256 10 0 AEAEHN Fc1cccc([C@@H]2C=CCN2)c1F 306268894 345157996 /nfs/dbraw/zinc/15/79/96/345157996.db2.gz LKDZDOKOKVPHOZ-VIFPVBQESA-N 0 3 181.185 2.165 10 0 AEAEHN CC(C)(C)NCc1cccc(N)c1F 306273848 345161442 /nfs/dbraw/zinc/16/14/42/345161442.db2.gz AEUSVXDKXKFLBI-UHFFFAOYSA-N 0 3 196.269 2.296 10 0 AEAEHN CCC(=O)CN1C[C@H]2CCCC[C@H]2C1 306279666 345165475 /nfs/dbraw/zinc/16/54/75/345165475.db2.gz SNJOBTRBZOJLLU-PHIMTYICSA-N 0 3 195.306 2.088 10 0 AEAEHN c1c[nH]c([C@H]2CCCN2C2CC2)c1 306279571 345165618 /nfs/dbraw/zinc/16/56/18/345165618.db2.gz HNHZBXFNFRDOHF-LLVKDONJSA-N 0 3 176.263 2.314 10 0 AEAEHN c1c[nH]c([C@@H]2CCCN2C2CC2)c1 306279572 345165657 /nfs/dbraw/zinc/16/56/57/345165657.db2.gz HNHZBXFNFRDOHF-NSHDSACASA-N 0 3 176.263 2.314 10 0 AEAEHN Nc1nc2cc(C(F)F)ccc2[nH]1 306280790 345166346 /nfs/dbraw/zinc/16/63/46/345166346.db2.gz DNBMGTNVHGHSBB-UHFFFAOYSA-N 0 3 183.161 2.083 10 0 AEAEHN Nc1nc2ccc(C(F)F)cc2[nH]1 306280790 345166350 /nfs/dbraw/zinc/16/63/50/345166350.db2.gz DNBMGTNVHGHSBB-UHFFFAOYSA-N 0 3 183.161 2.083 10 0 AEAEHN NC[C@H](F)c1ccsc1Cl 306284841 345168813 /nfs/dbraw/zinc/16/88/13/345168813.db2.gz CFDQWYGIMWTWNV-YFKPBYRVSA-N 0 3 179.647 2.371 10 0 AEAEHN CC[C@@H]1CSC(N[C@H]2CC[C@H]2C)=N1 306285139 345169060 /nfs/dbraw/zinc/16/90/60/345169060.db2.gz DRHWBNLXEYHZQH-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CSC(N[C@@H]2CC[C@@H]2C)=N1 306285138 345169069 /nfs/dbraw/zinc/16/90/69/345169069.db2.gz DRHWBNLXEYHZQH-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CSC(N[C@@H]2CC[C@H]2C)=N1 306285140 345169360 /nfs/dbraw/zinc/16/93/60/345169360.db2.gz DRHWBNLXEYHZQH-IWSPIJDZSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CCCN(CC2(F)CC2)C1 306288903 345171607 /nfs/dbraw/zinc/17/16/07/345171607.db2.gz NPJOXFYHDPUPBF-VIFPVBQESA-N 0 3 171.259 2.220 10 0 AEAEHN Cc1ccc(CN2CC(C)C2)cc1 306291782 345173520 /nfs/dbraw/zinc/17/35/20/345173520.db2.gz RMNJNGZSCGIHHM-UHFFFAOYSA-N 0 3 175.275 2.447 10 0 AEAEHN C[C@H]1CN(C2CCC2)CC(C)(C)O1 306291758 345173641 /nfs/dbraw/zinc/17/36/41/345173641.db2.gz UDTVEGOJHKKACL-VIFPVBQESA-N 0 3 183.295 2.038 10 0 AEAEHN Cc1nc(C)c(CN2CC(C)C2)s1 306292901 345174838 /nfs/dbraw/zinc/17/48/38/345174838.db2.gz SYDQCFBPIXGSFA-UHFFFAOYSA-N 0 3 196.319 2.212 10 0 AEAEHN CN(C1CCCCCC1)C1COC1 306293123 345175128 /nfs/dbraw/zinc/17/51/28/345175128.db2.gz TZMJSWKZOSQETB-UHFFFAOYSA-N 0 3 183.295 2.040 10 0 AEAEHN C[C@H]1CC[C@H]1Nc1ccncc1 306297094 345177800 /nfs/dbraw/zinc/17/78/00/345177800.db2.gz BUTJDDADXUNWDN-WCBMZHEXSA-N 0 3 162.236 2.292 10 0 AEAEHN C[C@@H]1CC[C@H]1Nc1ccncc1 306297091 345177808 /nfs/dbraw/zinc/17/78/08/345177808.db2.gz BUTJDDADXUNWDN-PSASIEDQSA-N 0 3 162.236 2.292 10 0 AEAEHN C[C@@H]1CC[C@@H]1Nc1ccncc1 306297093 345178002 /nfs/dbraw/zinc/17/80/02/345178002.db2.gz BUTJDDADXUNWDN-SCZZXKLOSA-N 0 3 162.236 2.292 10 0 AEAEHN C[C@H]1CC[C@@H]1Nc1ccncc1 306297095 345178050 /nfs/dbraw/zinc/17/80/50/345178050.db2.gz BUTJDDADXUNWDN-WPRPVWTQSA-N 0 3 162.236 2.292 10 0 AEAEHN CC[C@@H](N)c1cc(C)cc(C)n1 306298109 345179190 /nfs/dbraw/zinc/17/91/90/345179190.db2.gz ORNOWQDZRXZZQX-SECBINFHSA-N 0 3 164.252 2.108 10 0 AEAEHN Cc1ccc([C@@H]2NCC2(C)C)nc1 306299065 345179467 /nfs/dbraw/zinc/17/94/67/345179467.db2.gz KIJQMKUKDBELOU-JTQLQIEISA-N 0 3 176.263 2.061 10 0 AEAEHN Cc1ccc([C@H]2NCC2(C)C)nc1 306299067 345179501 /nfs/dbraw/zinc/17/95/01/345179501.db2.gz KIJQMKUKDBELOU-SNVBAGLBSA-N 0 3 176.263 2.061 10 0 AEAEHN Cc1cc(-c2ccoc2CN)sn1 306305037 345184752 /nfs/dbraw/zinc/18/47/52/345184752.db2.gz IAECLBFDFSTUNH-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN Cc1nc([C@@H](N)C(C)(C)C)co1 306306512 345186570 /nfs/dbraw/zinc/18/65/70/345186570.db2.gz FFLUACPTYHLRCW-MRVPVSSYSA-N 0 3 168.240 2.029 10 0 AEAEHN CC[C@@H](N)c1ccc(C)c(C)n1 306306745 345186594 /nfs/dbraw/zinc/18/65/94/345186594.db2.gz MVGDVMBXNFEBNY-SECBINFHSA-N 0 3 164.252 2.108 10 0 AEAEHN Cc1nc([C@H](N)C(C)(C)C)co1 306306514 345186849 /nfs/dbraw/zinc/18/68/49/345186849.db2.gz FFLUACPTYHLRCW-QMMMGPOBSA-N 0 3 168.240 2.029 10 0 AEAEHN N[C@@H](c1ccsn1)C1CCCC1 306307523 345187222 /nfs/dbraw/zinc/18/72/22/345187222.db2.gz VNFHEEJOLNKLRN-SECBINFHSA-N 0 3 182.292 2.333 10 0 AEAEHN N[C@H](c1ccsn1)C1CCCC1 306307525 345187344 /nfs/dbraw/zinc/18/73/44/345187344.db2.gz VNFHEEJOLNKLRN-VIFPVBQESA-N 0 3 182.292 2.333 10 0 AEAEHN C[C@@]1(F)CCN(c2ccncc2)C1 306308008 345187395 /nfs/dbraw/zinc/18/73/95/345187395.db2.gz KMBOLUKKJBYEHS-SNVBAGLBSA-N 0 3 180.226 2.020 10 0 AEAEHN C[C@]1(F)CCN(c2ccncc2)C1 306308007 345187568 /nfs/dbraw/zinc/18/75/68/345187568.db2.gz KMBOLUKKJBYEHS-JTQLQIEISA-N 0 3 180.226 2.020 10 0 AEAEHN NCc1ccc(-c2ccsn2)s1 306310964 345190069 /nfs/dbraw/zinc/19/00/69/345190069.db2.gz BMDYJKXCFSIKIB-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN C[C@H](C1CC1)[C@@H](N)c1cscn1 306313360 345191990 /nfs/dbraw/zinc/19/19/90/345191990.db2.gz OKHNKJRTLKXCLL-HZGVNTEJSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H](C1CC1)[C@@H](N)c1cscn1 306313361 345192043 /nfs/dbraw/zinc/19/20/43/345192043.db2.gz OKHNKJRTLKXCLL-IMTBSYHQSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@H](C1CC1)[C@H](N)c1cscn1 306313362 345192055 /nfs/dbraw/zinc/19/20/55/345192055.db2.gz OKHNKJRTLKXCLL-MUWHJKNJSA-N 0 3 182.292 2.189 10 0 AEAEHN Cc1ccc(CNC2CCC2)nc1C 306312797 345192160 /nfs/dbraw/zinc/19/21/60/345192160.db2.gz NXRCKMGGOIVJCX-UHFFFAOYSA-N 0 3 190.290 2.341 10 0 AEAEHN CC[C@@]1(C)CN[C@@H]1c1nccs1 306313778 345192465 /nfs/dbraw/zinc/19/24/65/345192465.db2.gz NJLOGAMSWYDXRY-APPZFPTMSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@@H](C1CC1)[C@H](N)c1cscn1 306313363 345192624 /nfs/dbraw/zinc/19/26/24/345192624.db2.gz OKHNKJRTLKXCLL-RCOVLWMOSA-N 0 3 182.292 2.189 10 0 AEAEHN CC[C@@]1(C)CN[C@H]1c1nccs1 306314200 345193082 /nfs/dbraw/zinc/19/30/82/345193082.db2.gz NJLOGAMSWYDXRY-CBAPKCEASA-N 0 3 182.292 2.204 10 0 AEAEHN CC[C@]1(C)CN[C@H]1c1nccs1 306314203 345193109 /nfs/dbraw/zinc/19/31/09/345193109.db2.gz NJLOGAMSWYDXRY-IONNQARKSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@@H]1CCS[C@]2(CC[C@H]3C[C@H]32)N1 306323108 345200891 /nfs/dbraw/zinc/20/08/91/345200891.db2.gz LRJJBYMOHMHKGC-RGOKHQFPSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CCS[C@]2(CC[C@@H]3C[C@@H]32)N1 306323103 345200992 /nfs/dbraw/zinc/20/09/92/345200992.db2.gz LRJJBYMOHMHKGC-IMSYWVGJSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@H](N)c1cncn1[C@H]1CCC1(C)C 306324181 345201536 /nfs/dbraw/zinc/20/15/36/345201536.db2.gz FWHJFDNXOKIPPI-WPRPVWTQSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@H](N)c1cncn1[C@@H]1CCC1(C)C 306324180 345201552 /nfs/dbraw/zinc/20/15/52/345201552.db2.gz FWHJFDNXOKIPPI-WCBMZHEXSA-N 0 3 193.294 2.264 10 0 AEAEHN CC1(C)CCCN1Cc1ccno1 306327793 345205573 /nfs/dbraw/zinc/20/55/73/345205573.db2.gz ABJMREHAWZHXJQ-UHFFFAOYSA-N 0 3 180.251 2.049 10 0 AEAEHN C[C@H]1CS[C@@]2(CCC2(C)C)N1 306328563 345206154 /nfs/dbraw/zinc/20/61/54/345206154.db2.gz XXKKSDYDDGVWLT-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CS[C@]2(CCC2(C)C)N1 306328562 345206173 /nfs/dbraw/zinc/20/61/73/345206173.db2.gz XXKKSDYDDGVWLT-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CS[C@@]2(CCC2(C)C)N1 306328564 345206184 /nfs/dbraw/zinc/20/61/84/345206184.db2.gz XXKKSDYDDGVWLT-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CS[C@]2(CCC2(C)C)N1 306328561 345206193 /nfs/dbraw/zinc/20/61/93/345206193.db2.gz XXKKSDYDDGVWLT-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN Cc1cc(-c2cc(CN)co2)sn1 306331936 345208695 /nfs/dbraw/zinc/20/86/95/345208695.db2.gz CYOCUFZHFCHNKT-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCC(F)(F)F 306333533 345209635 /nfs/dbraw/zinc/20/96/35/345209635.db2.gz FETIFZAUYULPBR-KNVOCYPGSA-N 0 3 181.201 2.422 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCC(F)(F)F 306333530 345209701 /nfs/dbraw/zinc/20/97/01/345209701.db2.gz FETIFZAUYULPBR-BQBZGAKWSA-N 0 3 181.201 2.422 10 0 AEAEHN Cc1ccncc1[C@H](F)C(C)(C)N 306335403 345211758 /nfs/dbraw/zinc/21/17/58/345211758.db2.gz GRPAGEJPOWPAAR-VIFPVBQESA-N 0 3 182.242 2.138 10 0 AEAEHN Cc1ccncc1[C@@H](F)C(C)(C)N 306335402 345211981 /nfs/dbraw/zinc/21/19/81/345211981.db2.gz GRPAGEJPOWPAAR-SECBINFHSA-N 0 3 182.242 2.138 10 0 AEAEHN CN[C@@H]1CCOc2ccc(C)c(C)c21 306337203 345213118 /nfs/dbraw/zinc/21/31/18/345213118.db2.gz HDPGYDVUAHZOQB-SNVBAGLBSA-N 0 3 191.274 2.346 10 0 AEAEHN CN[C@H]1CCOc2ccc(C)c(C)c21 306337201 345213256 /nfs/dbraw/zinc/21/32/56/345213256.db2.gz HDPGYDVUAHZOQB-JTQLQIEISA-N 0 3 191.274 2.346 10 0 AEAEHN Nc1cccc(CNC2CCC2)c1F 306340158 345215395 /nfs/dbraw/zinc/21/53/95/345215395.db2.gz KQRNPWGQGBCAME-UHFFFAOYSA-N 0 3 194.253 2.050 10 0 AEAEHN C[C@H]1C[C@@H]1[C@]1(C)N[C@H](C)CCS1 306341519 345215967 /nfs/dbraw/zinc/21/59/67/345215967.db2.gz DCTKNIKPFPDBLB-QCLAVDOMSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCS[C@](C)([C@@H]2C[C@H]2C)N1 306341521 345216009 /nfs/dbraw/zinc/21/60/09/345216009.db2.gz DCTKNIKPFPDBLB-ZYUZMQFOSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCS[C@](C)([C@H]2C[C@H]2C)N1 306341518 345216079 /nfs/dbraw/zinc/21/60/79/345216079.db2.gz DCTKNIKPFPDBLB-DOLQZWNJSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1C[C@H]1[C@]1(C)N[C@H](C)CCS1 306341520 345216155 /nfs/dbraw/zinc/21/61/55/345216155.db2.gz DCTKNIKPFPDBLB-SGIHWFKDSA-N 0 3 185.336 2.474 10 0 AEAEHN CC[C@@](C)(N)c1ncccc1Cl 306348000 345221836 /nfs/dbraw/zinc/22/18/36/345221836.db2.gz FUNOVHKRPYRDDJ-SECBINFHSA-N 0 3 184.670 2.319 10 0 AEAEHN CC[C@](C)(N)c1ncccc1Cl 306348002 345222026 /nfs/dbraw/zinc/22/20/26/345222026.db2.gz FUNOVHKRPYRDDJ-VIFPVBQESA-N 0 3 184.670 2.319 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1ccco1 306351785 345224443 /nfs/dbraw/zinc/22/44/43/345224443.db2.gz XZVJCRVJFITGEW-IUCAKERBSA-N 0 3 165.236 2.262 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1ccco1 306351784 345224582 /nfs/dbraw/zinc/22/45/82/345224582.db2.gz XZVJCRVJFITGEW-DTORHVGOSA-N 0 3 165.236 2.262 10 0 AEAEHN C[C@H](N[C@H]1C=CCCC1)c1cn[nH]c1 306353830 345225894 /nfs/dbraw/zinc/22/58/94/345225894.db2.gz BFOBGWLSCVVLCW-ONGXEEELSA-N 0 3 191.278 2.169 10 0 AEAEHN C[C@H](N[C@@H]1C=CCCC1)c1cn[nH]c1 306353810 345226148 /nfs/dbraw/zinc/22/61/48/345226148.db2.gz BFOBGWLSCVVLCW-GXSJLCMTSA-N 0 3 191.278 2.169 10 0 AEAEHN C[C@H]1CN[C@@]2(CCC2(C)C)S1 306355626 345227141 /nfs/dbraw/zinc/22/71/41/345227141.db2.gz VRYJJBMBWDXWRE-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CN[C@@]2(CCC2(C)C)S1 306355625 345227184 /nfs/dbraw/zinc/22/71/84/345227184.db2.gz VRYJJBMBWDXWRE-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CN[C@]2(CCC2(C)C)S1 306355628 345227552 /nfs/dbraw/zinc/22/75/52/345227552.db2.gz VRYJJBMBWDXWRE-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CN[C@]2(CCC2(C)C)S1 306355627 345227772 /nfs/dbraw/zinc/22/77/72/345227772.db2.gz VRYJJBMBWDXWRE-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN N[C@H](C1=COCC1)c1sccc1F 306360424 345230551 /nfs/dbraw/zinc/23/05/51/345230551.db2.gz AKCLNAMBKCLPPU-MRVPVSSYSA-N 0 3 199.250 2.191 10 0 AEAEHN N[C@@H](C1=COCC1)c1sccc1F 306360425 345230630 /nfs/dbraw/zinc/23/06/30/345230630.db2.gz AKCLNAMBKCLPPU-QMMMGPOBSA-N 0 3 199.250 2.191 10 0 AEAEHN CCC(C)(C)CN1CCO[C@H](C)C1 306365659 345234865 /nfs/dbraw/zinc/23/48/65/345234865.db2.gz FBFTVKYNAMTEBX-SNVBAGLBSA-N 0 3 185.311 2.143 10 0 AEAEHN CCC(C)(C)CN1CCO[C@@H](C)C1 306365658 345235018 /nfs/dbraw/zinc/23/50/18/345235018.db2.gz FBFTVKYNAMTEBX-JTQLQIEISA-N 0 3 185.311 2.143 10 0 AEAEHN Cc1cscc1[C@@H](N)C1=COCC1 306367810 345237017 /nfs/dbraw/zinc/23/70/17/345237017.db2.gz JULQNXZBXSJXBI-JTQLQIEISA-N 0 3 195.287 2.361 10 0 AEAEHN Cc1cscc1[C@H](N)C1=COCC1 306367811 345237386 /nfs/dbraw/zinc/23/73/86/345237386.db2.gz JULQNXZBXSJXBI-SNVBAGLBSA-N 0 3 195.287 2.361 10 0 AEAEHN Cc1csc(-c2ocnc2CN)c1 306371601 345239722 /nfs/dbraw/zinc/23/97/22/345239722.db2.gz FKMYBWANNCLZOQ-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CC1(C)C[C@@H]1[C@H](N)c1cscn1 306371423 345239737 /nfs/dbraw/zinc/23/97/37/345239737.db2.gz FAUMJWZWYPOXGV-SVRRBLITSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@@H](N)c1cscn1 306371421 345239765 /nfs/dbraw/zinc/23/97/65/345239765.db2.gz FAUMJWZWYPOXGV-POYBYMJQSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@H](N)c1cscn1 306371425 345239791 /nfs/dbraw/zinc/23/97/91/345239791.db2.gz FAUMJWZWYPOXGV-XPUUQOCRSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H](N)c1cscn1 306371419 345239890 /nfs/dbraw/zinc/23/98/90/345239890.db2.gz FAUMJWZWYPOXGV-HTRCEHHLSA-N 0 3 182.292 2.189 10 0 AEAEHN c1c[nH]c(CN2CCC23CCC3)c1 306374403 345242233 /nfs/dbraw/zinc/24/22/33/345242233.db2.gz LEDXVVDBKLZBHZ-UHFFFAOYSA-N 0 3 176.263 2.143 10 0 AEAEHN Cc1csc([C@](C)(N)[C@H]2C[C@H]2C)n1 306376136 345243038 /nfs/dbraw/zinc/24/30/38/345243038.db2.gz QXNIYXKLPJWYSI-KDILMLJESA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1csc([C@](C)(N)[C@@H]2C[C@H]2C)n1 306376133 345243073 /nfs/dbraw/zinc/24/30/73/345243073.db2.gz QXNIYXKLPJWYSI-GTNGPMTGSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1csc([C@](C)(N)[C@H]2C[C@@H]2C)n1 306376135 345243411 /nfs/dbraw/zinc/24/34/11/345243411.db2.gz QXNIYXKLPJWYSI-KADJCCMJSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1csc([C@](C)(N)[C@@H]2C[C@@H]2C)n1 306376137 345243488 /nfs/dbraw/zinc/24/34/88/345243488.db2.gz QXNIYXKLPJWYSI-SKWCMTHISA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1ncc(CN[C@H]2CC[C@@H]2C)s1 306378824 345244826 /nfs/dbraw/zinc/24/48/26/345244826.db2.gz YVHWRKMPRARQMD-XVKPBYJWSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1ncc(CN[C@@H]2CC[C@@H]2C)s1 306378821 345244841 /nfs/dbraw/zinc/24/48/41/345244841.db2.gz YVHWRKMPRARQMD-OIBJUYFYSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1ncc(CN[C@H]2CC[C@H]2C)s1 306378823 345245076 /nfs/dbraw/zinc/24/50/76/345245076.db2.gz YVHWRKMPRARQMD-XCBNKYQSSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1ncc(CN[C@@H]2CC[C@H]2C)s1 306378820 345245090 /nfs/dbraw/zinc/24/50/90/345245090.db2.gz YVHWRKMPRARQMD-GMSGAONNSA-N 0 3 196.319 2.340 10 0 AEAEHN CC(C)(N)[C@H](F)c1cccs1 306380775 345246622 /nfs/dbraw/zinc/24/66/22/345246622.db2.gz OLHQUEKPWPJSAS-SSDOTTSWSA-N 0 3 173.256 2.496 10 0 AEAEHN CC(C)(N)[C@@H](F)c1cccs1 306380776 345246740 /nfs/dbraw/zinc/24/67/40/345246740.db2.gz OLHQUEKPWPJSAS-ZETCQYMHSA-N 0 3 173.256 2.496 10 0 AEAEHN Clc1ccsc1C=C1CNC1 306385721 345250756 /nfs/dbraw/zinc/25/07/56/345250756.db2.gz GYUHCPKWHQPIAW-UHFFFAOYSA-N 0 3 185.679 2.388 10 0 AEAEHN CN(C)C[C@@H]1CCC2(CCCC2)O1 306386427 345250772 /nfs/dbraw/zinc/25/07/72/345250772.db2.gz YBHQROVPYQXESL-JTQLQIEISA-N 0 3 183.295 2.040 10 0 AEAEHN CN(C)C[C@H]1CCC2(CCCC2)O1 306386428 345250796 /nfs/dbraw/zinc/25/07/96/345250796.db2.gz YBHQROVPYQXESL-SNVBAGLBSA-N 0 3 183.295 2.040 10 0 AEAEHN NCc1sccc1-c1ccsn1 306386065 345250885 /nfs/dbraw/zinc/25/08/85/345250885.db2.gz BUAANQDDPXTVQU-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC(C)C[C@H](N)c1ccsn1 306395538 345257519 /nfs/dbraw/zinc/25/75/19/345257519.db2.gz PVKWKMPFWJNXOF-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@@](N)(C(F)F)C1CCC1 306397955 345259139 /nfs/dbraw/zinc/25/91/39/345259139.db2.gz IXEGVNDEBOGRLJ-QMMMGPOBSA-N 0 3 163.211 2.159 10 0 AEAEHN CC[C@](N)(C(F)F)C1CCC1 306397948 345259243 /nfs/dbraw/zinc/25/92/43/345259243.db2.gz IXEGVNDEBOGRLJ-MRVPVSSYSA-N 0 3 163.211 2.159 10 0 AEAEHN C[C@@H](N)c1cc(F)ccc1N1CCC1 306400295 345261781 /nfs/dbraw/zinc/26/17/81/345261781.db2.gz NAGMOWOJDANNQR-MRVPVSSYSA-N 0 3 194.253 2.056 10 0 AEAEHN NCc1ccc(Cl)cc1N1CCC1 306402095 345262700 /nfs/dbraw/zinc/26/27/00/345262700.db2.gz DDKMWTVJLKYYAC-UHFFFAOYSA-N 0 3 196.681 2.009 10 0 AEAEHN FC1=CCCN(c2ccncc2)C1 306403120 345263322 /nfs/dbraw/zinc/26/33/22/345263322.db2.gz RRDSWWQPQFTCAR-UHFFFAOYSA-N 0 3 178.210 2.145 10 0 AEAEHN CCN(C)C[C@@H]1CC1(Cl)Cl 306407320 345267351 /nfs/dbraw/zinc/26/73/51/345267351.db2.gz YGZCEYRFHTXFPY-LURJTMIESA-N 0 3 182.094 2.132 10 0 AEAEHN CCN(C)C[C@H]1CC1(Cl)Cl 306407321 345267365 /nfs/dbraw/zinc/26/73/65/345267365.db2.gz YGZCEYRFHTXFPY-ZCFIWIBFSA-N 0 3 182.094 2.132 10 0 AEAEHN C1CC([C@H]2CN=C(NC3CC3)S2)C1 306416330 345274354 /nfs/dbraw/zinc/27/43/54/345274354.db2.gz WIKYOROVYQWRSU-SECBINFHSA-N 0 3 196.319 2.010 10 0 AEAEHN CC[C@@](C)(N)c1cc(C)ns1 306416430 345274785 /nfs/dbraw/zinc/27/47/85/345274785.db2.gz RJELESRELXEDFK-MRVPVSSYSA-N 0 3 170.281 2.035 10 0 AEAEHN CC[C@](C)(N)c1cc(C)ns1 306416431 345274813 /nfs/dbraw/zinc/27/48/13/345274813.db2.gz RJELESRELXEDFK-QMMMGPOBSA-N 0 3 170.281 2.035 10 0 AEAEHN C1CC([C@@H]2CN=C(NC3CC3)S2)C1 306416331 345274822 /nfs/dbraw/zinc/27/48/22/345274822.db2.gz WIKYOROVYQWRSU-VIFPVBQESA-N 0 3 196.319 2.010 10 0 AEAEHN CC(C)c1cn(C(C)C)c(N)n1 306420021 345276945 /nfs/dbraw/zinc/27/69/45/345276945.db2.gz WPJJJMLJOBAGIY-UHFFFAOYSA-N 0 3 167.256 2.170 10 0 AEAEHN C[C@@H]1CCN[C@]2(CC[C@H]3C[C@H]32)S1 306425256 345282419 /nfs/dbraw/zinc/28/24/19/345282419.db2.gz OJCGMBHJYNNCJQ-UTINFBMNSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CCN[C@]2(CC[C@@H]3C[C@@H]32)S1 306425255 345282464 /nfs/dbraw/zinc/28/24/64/345282464.db2.gz OJCGMBHJYNNCJQ-DOLQZWNJSA-N 0 3 183.320 2.228 10 0 AEAEHN CC(C)[C@@H]1CCN1CC1(F)CC1 306427325 345284231 /nfs/dbraw/zinc/28/42/31/345284231.db2.gz IVXFRDZKSQQXEZ-VIFPVBQESA-N 0 3 171.259 2.219 10 0 AEAEHN CC(C)[C@H]1CCN1CC1(F)CC1 306427324 345284249 /nfs/dbraw/zinc/28/42/49/345284249.db2.gz IVXFRDZKSQQXEZ-SECBINFHSA-N 0 3 171.259 2.219 10 0 AEAEHN CC[C@@H]1CN([C@@H](C)C(C)C)CCO1 306427597 345284381 /nfs/dbraw/zinc/28/43/81/345284381.db2.gz LHBANBXZYSCGGB-WDEREUQCSA-N 0 3 185.311 2.142 10 0 AEAEHN CC[C@H]1CN([C@H](C)C(C)C)CCO1 306427595 345284744 /nfs/dbraw/zinc/28/47/44/345284744.db2.gz LHBANBXZYSCGGB-MNOVXSKESA-N 0 3 185.311 2.142 10 0 AEAEHN CC[C@@H]1CN([C@H](C)C(C)C)CCO1 306427594 345284761 /nfs/dbraw/zinc/28/47/61/345284761.db2.gz LHBANBXZYSCGGB-GHMZBOCLSA-N 0 3 185.311 2.142 10 0 AEAEHN CC[C@H]1CN([C@@H](C)C(C)C)CCO1 306427596 345284903 /nfs/dbraw/zinc/28/49/03/345284903.db2.gz LHBANBXZYSCGGB-QWRGUYRKSA-N 0 3 185.311 2.142 10 0 AEAEHN CN[C@@]1(c2nc(C)cs2)CC[C@H]1C 306428056 345285005 /nfs/dbraw/zinc/28/50/05/345285005.db2.gz LUFOQHXWYSSFDK-XCBNKYQSSA-N 0 3 196.319 2.296 10 0 AEAEHN CN[C@]1(c2nc(C)cs2)CC[C@@H]1C 306428055 345285035 /nfs/dbraw/zinc/28/50/35/345285035.db2.gz LUFOQHXWYSSFDK-OIBJUYFYSA-N 0 3 196.319 2.296 10 0 AEAEHN CN[C@@]1(c2nc(C)cs2)CC[C@@H]1C 306428057 345285180 /nfs/dbraw/zinc/28/51/80/345285180.db2.gz LUFOQHXWYSSFDK-XVKPBYJWSA-N 0 3 196.319 2.296 10 0 AEAEHN CN[C@]1(c2nc(C)cs2)CC[C@H]1C 306428054 345285486 /nfs/dbraw/zinc/28/54/86/345285486.db2.gz LUFOQHXWYSSFDK-GMSGAONNSA-N 0 3 196.319 2.296 10 0 AEAEHN C[C@H]1CC[C@]12NC[C@@H](C)CS2 306429611 345287331 /nfs/dbraw/zinc/28/73/31/345287331.db2.gz ANLVIGOLNRYMDP-HRDYMLBCSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1CC[C@@]12NC(C)(C)CS2 306429702 345287472 /nfs/dbraw/zinc/28/74/72/345287472.db2.gz DEMHBLXOFVETBN-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CC[C@@]12NC[C@@H](C)CS2 306429614 345287603 /nfs/dbraw/zinc/28/76/03/345287603.db2.gz ANLVIGOLNRYMDP-VGMNWLOBSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1CN[C@@]2(CC[C@H]2C)SC1 306429609 345287665 /nfs/dbraw/zinc/28/76/65/345287665.db2.gz ANLVIGOLNRYMDP-HLTSFMKQSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@H]1CC[C@]12NC(C)(C)CS2 306429704 345287738 /nfs/dbraw/zinc/28/77/38/345287738.db2.gz DEMHBLXOFVETBN-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CC[C@]12NC(C)(C)CS2 306429705 345288071 /nfs/dbraw/zinc/28/80/71/345288071.db2.gz DEMHBLXOFVETBN-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CC[C@@]12NC(C)(C)CS2 306429703 345288079 /nfs/dbraw/zinc/28/80/79/345288079.db2.gz DEMHBLXOFVETBN-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN CCCCN1C[C@H](C)OCC1(C)C 306431635 345290273 /nfs/dbraw/zinc/29/02/73/345290273.db2.gz RQCLPJQSFZULPN-JTQLQIEISA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCN1C[C@@H](C)OCC1(C)C 306431636 345290397 /nfs/dbraw/zinc/29/03/97/345290397.db2.gz RQCLPJQSFZULPN-SNVBAGLBSA-N 0 3 185.311 2.286 10 0 AEAEHN CCC(C)(C)CN1CCOC[C@H]1C 306431344 345290437 /nfs/dbraw/zinc/29/04/37/345290437.db2.gz RIEYNKIXHAPEPP-SNVBAGLBSA-N 0 3 185.311 2.143 10 0 AEAEHN CCC(C)(C)CN1CCOC[C@@H]1C 306431342 345290513 /nfs/dbraw/zinc/29/05/13/345290513.db2.gz RIEYNKIXHAPEPP-JTQLQIEISA-N 0 3 185.311 2.143 10 0 AEAEHN Cc1nc(F)ccc1CN[C@@H]1C[C@@H]1C 306432814 345291831 /nfs/dbraw/zinc/29/18/31/345291831.db2.gz UTOJTKIWMWSWAM-OIBJUYFYSA-N 0 3 194.253 2.027 10 0 AEAEHN Cc1nc(F)ccc1CN[C@H]1C[C@H]1C 306432815 345292127 /nfs/dbraw/zinc/29/21/27/345292127.db2.gz UTOJTKIWMWSWAM-XCBNKYQSSA-N 0 3 194.253 2.027 10 0 AEAEHN Cc1nc(F)ccc1CN[C@H]1C[C@@H]1C 306432816 345292171 /nfs/dbraw/zinc/29/21/71/345292171.db2.gz UTOJTKIWMWSWAM-XVKPBYJWSA-N 0 3 194.253 2.027 10 0 AEAEHN Cc1nc(F)ccc1CN[C@@H]1C[C@H]1C 306432813 345292201 /nfs/dbraw/zinc/29/22/01/345292201.db2.gz UTOJTKIWMWSWAM-GMSGAONNSA-N 0 3 194.253 2.027 10 0 AEAEHN CCN1CCC[C@@H]1CC(F)(F)F 306434387 345294307 /nfs/dbraw/zinc/29/43/07/345294307.db2.gz ZULOYTGIAFFEFC-SSDOTTSWSA-N 0 3 181.201 2.423 10 0 AEAEHN CCN1CCC[C@H]1CC(F)(F)F 306434388 345294682 /nfs/dbraw/zinc/29/46/82/345294682.db2.gz ZULOYTGIAFFEFC-ZETCQYMHSA-N 0 3 181.201 2.423 10 0 AEAEHN C[C@H]1CC[C@H]1NCc1cncs1 306435641 345295683 /nfs/dbraw/zinc/29/56/83/345295683.db2.gz LAAHFFLZOQDQNT-IONNQARKSA-N 0 3 182.292 2.031 10 0 AEAEHN C[C@H]1CC[C@@H]1NCc1cncs1 306435640 345295995 /nfs/dbraw/zinc/29/59/95/345295995.db2.gz LAAHFFLZOQDQNT-CBAPKCEASA-N 0 3 182.292 2.031 10 0 AEAEHN CSC(C)(C)[C@@H](N)c1cccnc1 306435866 345296487 /nfs/dbraw/zinc/29/64/87/345296487.db2.gz LLIMTEIZIXDWFE-VIFPVBQESA-N 0 3 196.319 2.223 10 0 AEAEHN CSC(C)(C)[C@H](N)c1cccnc1 306435860 345296521 /nfs/dbraw/zinc/29/65/21/345296521.db2.gz LLIMTEIZIXDWFE-SECBINFHSA-N 0 3 196.319 2.223 10 0 AEAEHN CC(C)(N)[C@H](F)c1ccsc1 306437102 345297640 /nfs/dbraw/zinc/29/76/40/345297640.db2.gz FAWOHNRIBLALTH-SSDOTTSWSA-N 0 3 173.256 2.496 10 0 AEAEHN CC(C)(N)[C@@H](F)c1ccsc1 306437103 345297530 /nfs/dbraw/zinc/29/75/30/345297530.db2.gz FAWOHNRIBLALTH-ZETCQYMHSA-N 0 3 173.256 2.496 10 0 AEAEHN Cc1ccoc1[C@H]1NCC12CCC2 306439702 345300704 /nfs/dbraw/zinc/30/07/04/345300704.db2.gz AQCSUXPMBUNWOH-SNVBAGLBSA-N 0 3 177.247 2.403 10 0 AEAEHN Cc1ccoc1[C@@H]1NCC12CCC2 306439701 345300714 /nfs/dbraw/zinc/30/07/14/345300714.db2.gz AQCSUXPMBUNWOH-JTQLQIEISA-N 0 3 177.247 2.403 10 0 AEAEHN c1csc(CN2CC[C@H]3C[C@H]32)c1 306446613 345306280 /nfs/dbraw/zinc/30/62/80/345306280.db2.gz BNBAIHUGZAVEDC-WCBMZHEXSA-N 0 3 179.288 2.342 10 0 AEAEHN c1csc(CN2CC[C@@H]3C[C@@H]32)c1 306446612 345306298 /nfs/dbraw/zinc/30/62/98/345306298.db2.gz BNBAIHUGZAVEDC-SCZZXKLOSA-N 0 3 179.288 2.342 10 0 AEAEHN CC[C@]1(c2ccsn2)CCCN1 306452346 345312779 /nfs/dbraw/zinc/31/27/79/345312779.db2.gz XIAPBFFHNWQEDZ-SECBINFHSA-N 0 3 182.292 2.132 10 0 AEAEHN Cn1ccnc1N[C@@H]1CCC1(C)C 306453845 345314218 /nfs/dbraw/zinc/31/42/18/345314218.db2.gz KHRBAOKDCMFRCM-MRVPVSSYSA-N 0 3 179.267 2.021 10 0 AEAEHN Cn1ccnc1N[C@H]1CCC1(C)C 306453846 345314223 /nfs/dbraw/zinc/31/42/23/345314223.db2.gz KHRBAOKDCMFRCM-QMMMGPOBSA-N 0 3 179.267 2.021 10 0 AEAEHN CC[C@](C)(N)c1ccc(Cl)cn1 306454607 345314475 /nfs/dbraw/zinc/31/44/75/345314475.db2.gz ZOYQSNLUSCDNQJ-VIFPVBQESA-N 0 3 184.670 2.319 10 0 AEAEHN CC[C@@](C)(N)c1ccc(Cl)cn1 306454606 345314647 /nfs/dbraw/zinc/31/46/47/345314647.db2.gz ZOYQSNLUSCDNQJ-SECBINFHSA-N 0 3 184.670 2.319 10 0 AEAEHN C[C@H](NC1CC(C)(C)C1)c1cn[nH]c1 306454955 345314920 /nfs/dbraw/zinc/31/49/20/345314920.db2.gz ZTNYGTYCUUMUNV-QMMMGPOBSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@@H]1CN[C@]2(CCC[C@@H]3C[C@@H]32)SC1 306456566 345315853 /nfs/dbraw/zinc/31/58/53/345315853.db2.gz UEUCWJVNBYXDMI-CHWFTXMASA-N 0 3 197.347 2.475 10 0 AEAEHN C[C@@H]1CN[C@]2(CCC[C@H]3C[C@H]32)SC1 306456568 345316425 /nfs/dbraw/zinc/31/64/25/345316425.db2.gz UEUCWJVNBYXDMI-LMLFDSFASA-N 0 3 197.347 2.475 10 0 AEAEHN CC[C@@H]1CN=C(N[C@H]2CC[C@H]2C)S1 306457145 345316860 /nfs/dbraw/zinc/31/68/60/345316860.db2.gz YFWQIBCBERPZNR-HLTSFMKQSA-N 0 3 198.335 2.256 10 0 AEAEHN N[C@H]1CCNc2cccc(Cl)c21 306457132 345317034 /nfs/dbraw/zinc/31/70/34/345317034.db2.gz YAORIHVPPHNYMK-ZETCQYMHSA-N 0 3 182.654 2.155 10 0 AEAEHN CC[C@@H]1CN=C(N[C@H]2CC[C@@H]2C)S1 306457147 345317066 /nfs/dbraw/zinc/31/70/66/345317066.db2.gz YFWQIBCBERPZNR-YIZRAAEISA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1CN=C(N[C@@H]2CC[C@@H]2C)S1 306457144 345317200 /nfs/dbraw/zinc/31/72/00/345317200.db2.gz YFWQIBCBERPZNR-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN N[C@@H]1CCNc2cccc(Cl)c21 306457131 345317220 /nfs/dbraw/zinc/31/72/20/345317220.db2.gz YAORIHVPPHNYMK-SSDOTTSWSA-N 0 3 182.654 2.155 10 0 AEAEHN Cn1cccc1CN1CCC1(C)C 306459191 345318636 /nfs/dbraw/zinc/31/86/36/345318636.db2.gz DIJUVKAHEWTNLZ-UHFFFAOYSA-N 0 3 178.279 2.009 10 0 AEAEHN Cl/C=C/CN1C[C@@H]2CCC[C@@H]21 306459519 345318830 /nfs/dbraw/zinc/31/88/30/345318830.db2.gz GWYOMMWZQVJQPT-GBJHPGTDSA-N 0 3 171.671 2.223 10 0 AEAEHN Cl/C=C/CN1C[C@@H]2CCC[C@H]21 306459517 345318878 /nfs/dbraw/zinc/31/88/78/345318878.db2.gz GWYOMMWZQVJQPT-DMJFMDCBSA-N 0 3 171.671 2.223 10 0 AEAEHN Cc1occc1[C@@H]1NCC1(C)C 306463719 345324150 /nfs/dbraw/zinc/32/41/50/345324150.db2.gz BQEGUCUGZMZAFE-VIFPVBQESA-N 0 3 165.236 2.259 10 0 AEAEHN Cc1occc1[C@H]1NCC1(C)C 306463716 345324185 /nfs/dbraw/zinc/32/41/85/345324185.db2.gz BQEGUCUGZMZAFE-SECBINFHSA-N 0 3 165.236 2.259 10 0 AEAEHN Cc1ccc([C@@H]2C=CCN2)c(F)c1F 306465323 345326085 /nfs/dbraw/zinc/32/60/85/345326085.db2.gz BFGFUXGFMVIHSG-VIFPVBQESA-N 0 3 195.212 2.474 10 0 AEAEHN Cc1ccc([C@H]2C=CCN2)c(F)c1F 306465322 345326150 /nfs/dbraw/zinc/32/61/50/345326150.db2.gz BFGFUXGFMVIHSG-SECBINFHSA-N 0 3 195.212 2.474 10 0 AEAEHN CC[C@@]1(c2cscn2)CCCN1 306466100 345326708 /nfs/dbraw/zinc/32/67/08/345326708.db2.gz JGXIFPKRALZZIX-VIFPVBQESA-N 0 3 182.292 2.132 10 0 AEAEHN CC[C@]1(c2cscn2)CCCN1 306466088 345326712 /nfs/dbraw/zinc/32/67/12/345326712.db2.gz JGXIFPKRALZZIX-SECBINFHSA-N 0 3 182.292 2.132 10 0 AEAEHN CC(F)(F)CNc1ccncc1 306469333 345331959 /nfs/dbraw/zinc/33/19/59/345331959.db2.gz PHJXPPLKOXTOBL-UHFFFAOYSA-N 0 3 172.178 2.149 10 0 AEAEHN CC(C)(N)[C@@H](F)c1ccoc1 306471621 345335000 /nfs/dbraw/zinc/33/50/00/345335000.db2.gz ZQFUSBFPKSORBW-ZETCQYMHSA-N 0 3 157.188 2.028 10 0 AEAEHN CC(C)(N)[C@H](F)c1ccoc1 306471620 345335195 /nfs/dbraw/zinc/33/51/95/345335195.db2.gz ZQFUSBFPKSORBW-SSDOTTSWSA-N 0 3 157.188 2.028 10 0 AEAEHN c1cc([C@@H]2NCC23CCCC3)co1 306472566 345336254 /nfs/dbraw/zinc/33/62/54/345336254.db2.gz CDBJGYZERZLYMM-JTQLQIEISA-N 0 3 177.247 2.484 10 0 AEAEHN c1cc([C@H]2NCC23CCCC3)co1 306472567 345336457 /nfs/dbraw/zinc/33/64/57/345336457.db2.gz CDBJGYZERZLYMM-SNVBAGLBSA-N 0 3 177.247 2.484 10 0 AEAEHN CC[C@H](F)CN1CCC(C)CC1 306473337 345337325 /nfs/dbraw/zinc/33/73/25/345337325.db2.gz DDSXSRVFIYGQPN-JTQLQIEISA-N 0 3 173.275 2.466 10 0 AEAEHN CC[C@@H](F)CN1CCC(C)CC1 306473338 345337379 /nfs/dbraw/zinc/33/73/79/345337379.db2.gz DDSXSRVFIYGQPN-SNVBAGLBSA-N 0 3 173.275 2.466 10 0 AEAEHN C[C@H]1CCN(CCF)[C@@H](C)C1 306473999 345338122 /nfs/dbraw/zinc/33/81/22/345338122.db2.gz VEXWIBLDOXNTQJ-IUCAKERBSA-N 0 3 159.248 2.076 10 0 AEAEHN C[C@H]1CCN(CCF)[C@H](C)C1 306473998 345338280 /nfs/dbraw/zinc/33/82/80/345338280.db2.gz VEXWIBLDOXNTQJ-DTWKUNHWSA-N 0 3 159.248 2.076 10 0 AEAEHN C[C@H]1C[C@H](C)CCN1CCF 306473997 345338397 /nfs/dbraw/zinc/33/83/97/345338397.db2.gz VEXWIBLDOXNTQJ-BDAKNGLRSA-N 0 3 159.248 2.076 10 0 AEAEHN CSCCN1CC[C@@H](C)[C@H](F)C1 306478387 345345030 /nfs/dbraw/zinc/34/50/30/345345030.db2.gz BHYBHAFCXFWTSW-RKDXNWHRSA-N 0 3 191.315 2.029 10 0 AEAEHN CSCCN1CC[C@H](C)[C@@H](F)C1 306478386 345345058 /nfs/dbraw/zinc/34/50/58/345345058.db2.gz BHYBHAFCXFWTSW-IUCAKERBSA-N 0 3 191.315 2.029 10 0 AEAEHN CSCCN1CC[C@H](C)[C@H](F)C1 306478385 345345129 /nfs/dbraw/zinc/34/51/29/345345129.db2.gz BHYBHAFCXFWTSW-DTWKUNHWSA-N 0 3 191.315 2.029 10 0 AEAEHN CSCCN1CC[C@@H](C)[C@@H](F)C1 306478384 345345148 /nfs/dbraw/zinc/34/51/48/345345148.db2.gz BHYBHAFCXFWTSW-BDAKNGLRSA-N 0 3 191.315 2.029 10 0 AEAEHN C[C@H](NC1CCCC1)c1ccon1 306479113 345346266 /nfs/dbraw/zinc/34/62/66/345346266.db2.gz BCGJQMDBDGBJGU-QMMMGPOBSA-N 0 3 180.251 2.268 10 0 AEAEHN C[C@@H](NC1CCCC1)c1ccon1 306479112 345346352 /nfs/dbraw/zinc/34/63/52/345346352.db2.gz BCGJQMDBDGBJGU-MRVPVSSYSA-N 0 3 180.251 2.268 10 0 AEAEHN CC[C@]1([C@H]2C[C@@H]2C)NCCCS1 306479983 345347239 /nfs/dbraw/zinc/34/72/39/345347239.db2.gz INQAYHVZFXTEIE-GUBZILKMSA-N 0 3 185.336 2.475 10 0 AEAEHN CC[C@]1([C@@H]2C[C@@H]2C)NCCCS1 306479978 345347176 /nfs/dbraw/zinc/34/71/76/345347176.db2.gz INQAYHVZFXTEIE-AEJSXWLSSA-N 0 3 185.336 2.475 10 0 AEAEHN CC[C@]1([C@H]2C[C@H]2C)NCCCS1 306479985 345347278 /nfs/dbraw/zinc/34/72/78/345347278.db2.gz INQAYHVZFXTEIE-UTLUCORTSA-N 0 3 185.336 2.475 10 0 AEAEHN Cc1ncsc1CN1[C@@H](C)C[C@@H]1C 306482721 345351186 /nfs/dbraw/zinc/35/11/86/345351186.db2.gz KSZUSSVFFLMXDU-YUMQZZPRSA-N 0 3 196.319 2.434 10 0 AEAEHN Cc1ncsc1CN1[C@H](C)C[C@H]1C 306482718 345351212 /nfs/dbraw/zinc/35/12/12/345351212.db2.gz KSZUSSVFFLMXDU-HTQZYQBOSA-N 0 3 196.319 2.434 10 0 AEAEHN Cc1ncsc1CN1[C@@H](C)C[C@H]1C 306482719 345351434 /nfs/dbraw/zinc/35/14/34/345351434.db2.gz KSZUSSVFFLMXDU-OCAPTIKFSA-N 0 3 196.319 2.434 10 0 AEAEHN CCCN[C@@H]1C[C@H](C)Cc2oncc21 306483991 345352613 /nfs/dbraw/zinc/35/26/13/345352613.db2.gz FTOFOUDUCHLWHO-WCBMZHEXSA-N 0 3 194.278 2.298 10 0 AEAEHN CCCN[C@H]1C[C@H](C)Cc2oncc21 306483993 345352703 /nfs/dbraw/zinc/35/27/03/345352703.db2.gz FTOFOUDUCHLWHO-WPRPVWTQSA-N 0 3 194.278 2.298 10 0 AEAEHN CCCN[C@H]1C[C@@H](C)Cc2oncc21 306483989 345352773 /nfs/dbraw/zinc/35/27/73/345352773.db2.gz FTOFOUDUCHLWHO-SCZZXKLOSA-N 0 3 194.278 2.298 10 0 AEAEHN CCCN[C@@H]1C[C@@H](C)Cc2oncc21 306483986 345352807 /nfs/dbraw/zinc/35/28/07/345352807.db2.gz FTOFOUDUCHLWHO-PSASIEDQSA-N 0 3 194.278 2.298 10 0 AEAEHN C1=C[C@H](NCc2ccc[nH]2)CCC1 306486345 345356138 /nfs/dbraw/zinc/35/61/38/345356138.db2.gz IIWWEXFZYWFYPH-JTQLQIEISA-N 0 3 176.263 2.213 10 0 AEAEHN C1=C[C@@H](NCc2ccc[nH]2)CCC1 306486346 345356174 /nfs/dbraw/zinc/35/61/74/345356174.db2.gz IIWWEXFZYWFYPH-SNVBAGLBSA-N 0 3 176.263 2.213 10 0 AEAEHN Cc1csc([C@]2(N)CC[C@H]3C[C@H]32)n1 306486594 345356642 /nfs/dbraw/zinc/35/66/42/345356642.db2.gz SIAIALFZZOKVPX-XKSSXDPKSA-N 0 3 194.303 2.035 10 0 AEAEHN Cc1csc([C@]2(N)CC[C@@H]3C[C@@H]32)n1 306486593 345356659 /nfs/dbraw/zinc/35/66/59/345356659.db2.gz SIAIALFZZOKVPX-WEDXCCLWSA-N 0 3 194.303 2.035 10 0 AEAEHN C[C@@H]1C[C@H]1[C@@]1(C)NCCCS1 306486945 345357143 /nfs/dbraw/zinc/35/71/43/345357143.db2.gz PHAJKFXUFNNZBF-HLTSFMKQSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@]1(C)NCCCS1 306486948 345357088 /nfs/dbraw/zinc/35/70/88/345357088.db2.gz PHAJKFXUFNNZBF-HRDYMLBCSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@@]1(C)NCCCS1 306486952 345357107 /nfs/dbraw/zinc/35/71/07/345357107.db2.gz PHAJKFXUFNNZBF-VGMNWLOBSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1C[C@H]1[C@]1(C)NCCCS1 306486950 345357285 /nfs/dbraw/zinc/35/72/85/345357285.db2.gz PHAJKFXUFNNZBF-IWSPIJDZSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@H]1C[C@H]1[C@@]1(C)NC[C@@H](C)CS1 306487483 345357665 /nfs/dbraw/zinc/35/76/65/345357665.db2.gz PXVOYZMEMGXROO-RGOKHQFPSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@@H]1CN[C@](C)([C@H]2C[C@H]2C)SC1 306487480 345357802 /nfs/dbraw/zinc/35/78/02/345357802.db2.gz PXVOYZMEMGXROO-IMSYWVGJSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@@H]1CN[C@](C)([C@@H]2C[C@H]2C)SC1 306487482 345357875 /nfs/dbraw/zinc/35/78/75/345357875.db2.gz PXVOYZMEMGXROO-KYXWUPHJSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@H]1C[C@@H]1[C@@]1(C)NC[C@@H](C)CS1 306487481 345357916 /nfs/dbraw/zinc/35/79/16/345357916.db2.gz PXVOYZMEMGXROO-KATARQTJSA-N 0 3 185.336 2.331 10 0 AEAEHN CC(C)NCc1cncc(Cl)c1 306488901 345359885 /nfs/dbraw/zinc/35/98/85/345359885.db2.gz VZADBCRGDUBERQ-UHFFFAOYSA-N 0 3 184.670 2.233 10 0 AEAEHN CC(C)(C)c1cn(C2CC2)c(N)n1 306489214 345359944 /nfs/dbraw/zinc/35/99/44/345359944.db2.gz LGOHTVDZJSINPT-UHFFFAOYSA-N 0 3 179.267 2.098 10 0 AEAEHN F[C@@H]1CCCCN(C2CCC2)C1 306488931 345360023 /nfs/dbraw/zinc/36/00/23/345360023.db2.gz WFINQRXDZZZTJW-SECBINFHSA-N 0 3 171.259 2.363 10 0 AEAEHN F[C@H]1CCCCN(C2CCC2)C1 306488932 345360164 /nfs/dbraw/zinc/36/01/64/345360164.db2.gz WFINQRXDZZZTJW-VIFPVBQESA-N 0 3 171.259 2.363 10 0 AEAEHN CCC[C@@H](N)c1ccc2c(n1)CCC2 306489503 345360520 /nfs/dbraw/zinc/36/05/20/345360520.db2.gz LSTBMCDZVWHCLA-SNVBAGLBSA-N 0 3 190.290 2.370 10 0 AEAEHN CC1(C)CCN(Cc2ccc[nH]2)C1 306489412 345360616 /nfs/dbraw/zinc/36/06/16/345360616.db2.gz LXMRYNDGMSYFCD-UHFFFAOYSA-N 0 3 178.279 2.247 10 0 AEAEHN Cc1cscc1CNC1CSC1 306493304 345366719 /nfs/dbraw/zinc/36/67/19/345366719.db2.gz TVUDSYCCBMVWDN-UHFFFAOYSA-N 0 3 199.344 2.262 10 0 AEAEHN C[C@H]1C[C@]2(NCC[C@@H](C)S2)[C@@H]1C 306494640 345367662 /nfs/dbraw/zinc/36/76/62/345367662.db2.gz YLHCHWPVDFZZJF-SGIHWFKDSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1[C@H](C)C[C@]12NCC[C@@H](C)S2 306494638 345367885 /nfs/dbraw/zinc/36/78/85/345367885.db2.gz YLHCHWPVDFZZJF-DOLQZWNJSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1C[C@]2(NCC[C@@H](C)S2)[C@H]1C 306494639 345367934 /nfs/dbraw/zinc/36/79/34/345367934.db2.gz YLHCHWPVDFZZJF-QCLAVDOMSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCN[C@]2(C[C@@H](C)[C@H]2C)S1 306494894 345368464 /nfs/dbraw/zinc/36/84/64/345368464.db2.gz YLHCHWPVDFZZJF-ZYUZMQFOSA-N 0 3 185.336 2.474 10 0 AEAEHN CN(Cc1cc[nH]c1)[C@@H]1CC1(C)C 306496592 345370699 /nfs/dbraw/zinc/37/06/99/345370699.db2.gz XUXVARHJFYVKGG-SNVBAGLBSA-N 0 3 178.279 2.245 10 0 AEAEHN CN(Cc1cc[nH]c1)[C@H]1CC1(C)C 306496591 345370814 /nfs/dbraw/zinc/37/08/14/345370814.db2.gz XUXVARHJFYVKGG-JTQLQIEISA-N 0 3 178.279 2.245 10 0 AEAEHN Fc1ccccc1[C@H]1C=CCN1 306497382 345371607 /nfs/dbraw/zinc/37/16/07/345371607.db2.gz RQQHCVYXCXKSGY-SNVBAGLBSA-N 0 3 163.195 2.026 10 0 AEAEHN Fc1ccccc1[C@@H]1C=CCN1 306497377 345371703 /nfs/dbraw/zinc/37/17/03/345371703.db2.gz RQQHCVYXCXKSGY-JTQLQIEISA-N 0 3 163.195 2.026 10 0 AEAEHN CCc1nc([C@H](C)N)cn1C(C)C 306500451 345373882 /nfs/dbraw/zinc/37/38/82/345373882.db2.gz YCMGWYDRHIQOEL-QMMMGPOBSA-N 0 3 181.283 2.046 10 0 AEAEHN N[C@]1(c2nccs2)CCC[C@@H]2C[C@@H]21 306500839 345374733 /nfs/dbraw/zinc/37/47/33/345374733.db2.gz ZCLORPOECSARDR-KHQFGBGNSA-N 0 3 194.303 2.117 10 0 AEAEHN Cc1csc([C@]2(N)C[C@@H](C)[C@H]2C)n1 306505251 345378992 /nfs/dbraw/zinc/37/89/92/345378992.db2.gz STXZUTHOQCKEMX-YNEQXMIYSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1csc([C@]2(N)C[C@H](C)[C@@H]2C)n1 306505248 345379036 /nfs/dbraw/zinc/37/90/36/345379036.db2.gz STXZUTHOQCKEMX-HKPALBBZSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1csc([C@]2(N)C[C@@H](C)[C@@H]2C)n1 306505250 345379083 /nfs/dbraw/zinc/37/90/83/345379083.db2.gz STXZUTHOQCKEMX-PMVVWTBXSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1csc([C@]2(N)C[C@H](C)[C@H]2C)n1 306505249 345379164 /nfs/dbraw/zinc/37/91/64/345379164.db2.gz STXZUTHOQCKEMX-IONOHQLYSA-N 0 3 196.319 2.281 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1cccnc1 306511061 345382645 /nfs/dbraw/zinc/38/26/45/345382645.db2.gz MGNGTRBXFFRRJI-AOOOYVTPSA-N 0 3 176.263 2.064 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1cccnc1 306511063 345382667 /nfs/dbraw/zinc/38/26/67/345382667.db2.gz MGNGTRBXFFRRJI-UWVGGRQHSA-N 0 3 176.263 2.064 10 0 AEAEHN C[C@H]1CN=C(SCC2CCCC2)N1 306513367 345384236 /nfs/dbraw/zinc/38/42/36/345384236.db2.gz AJAGXZFWXCSIHM-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H]1CN=C(SCC2CCCC2)N1 306513366 345384474 /nfs/dbraw/zinc/38/44/74/345384474.db2.gz AJAGXZFWXCSIHM-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN NCc1c(F)ccc(C(F)F)c1F 306514507 345385277 /nfs/dbraw/zinc/38/52/77/345385277.db2.gz AGHSMKYVGCMDGI-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN NCc1ccc(F)c(C(F)F)c1F 306515043 345386078 /nfs/dbraw/zinc/38/60/78/345386078.db2.gz CAIMEMLUJNVBSP-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CC1(C)CCN1Cc1ccncc1 306515497 345386535 /nfs/dbraw/zinc/38/65/35/345386535.db2.gz WHZAGXOEPVBMGU-UHFFFAOYSA-N 0 3 176.263 2.066 10 0 AEAEHN CCC(C)(C)[C@H]1NCCCS1 306517808 345388726 /nfs/dbraw/zinc/38/87/26/345388726.db2.gz GERRQONTITVONF-QMMMGPOBSA-N 0 3 173.325 2.475 10 0 AEAEHN CCC(C)(C)[C@@H]1NCCCS1 306517807 345388734 /nfs/dbraw/zinc/38/87/34/345388734.db2.gz GERRQONTITVONF-MRVPVSSYSA-N 0 3 173.325 2.475 10 0 AEAEHN CC1=CCCN(CC2(F)CC2)C1 306518166 345389356 /nfs/dbraw/zinc/38/93/56/345389356.db2.gz BBOOXVQEDOBHBM-UHFFFAOYSA-N 0 3 169.243 2.141 10 0 AEAEHN C[C@@H](N)c1cncn1C1CC(C)(C)C1 306520106 345391447 /nfs/dbraw/zinc/39/14/47/345391447.db2.gz JTCGUNOPIFXETF-MRVPVSSYSA-N 0 3 193.294 2.264 10 0 AEAEHN C[C@@H](C1CCCCC1)[C@@H]1COCCN1 306521050 345392430 /nfs/dbraw/zinc/39/24/30/345392430.db2.gz MAWBMCWVDQHKTI-JQWIXIFHSA-N 0 3 197.322 2.191 10 0 AEAEHN NCc1coc(-c2cccs2)c1 306520935 345392464 /nfs/dbraw/zinc/39/24/64/345392464.db2.gz LWCDFKLGCIJKIU-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN C[C@H](C1CCCCC1)[C@@H]1COCCN1 306521052 345392514 /nfs/dbraw/zinc/39/25/14/345392514.db2.gz MAWBMCWVDQHKTI-PWSUYJOCSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@H](C1CCCCC1)[C@H]1COCCN1 306521054 345392602 /nfs/dbraw/zinc/39/26/02/345392602.db2.gz MAWBMCWVDQHKTI-ZYHUDNBSSA-N 0 3 197.322 2.191 10 0 AEAEHN C[C@@H](C1CCCCC1)[C@H]1COCCN1 306521046 345392660 /nfs/dbraw/zinc/39/26/60/345392660.db2.gz MAWBMCWVDQHKTI-CMPLNLGQSA-N 0 3 197.322 2.191 10 0 AEAEHN CC1(C)CC(Nc2cccc(N)n2)C1 306522200 345394360 /nfs/dbraw/zinc/39/43/60/345394360.db2.gz PDQRMOZEMXYZTF-UHFFFAOYSA-N 0 3 191.278 2.264 10 0 AEAEHN Cc1cnc([C@H]2NC[C@@H]2C(C)C)s1 306524306 345396506 /nfs/dbraw/zinc/39/65/06/345396506.db2.gz ABGNCWDNSJSJDR-BDAKNGLRSA-N 0 3 196.319 2.368 10 0 AEAEHN Cc1cnc([C@@H]2NC[C@@H]2C(C)C)s1 306524309 345396570 /nfs/dbraw/zinc/39/65/70/345396570.db2.gz ABGNCWDNSJSJDR-RKDXNWHRSA-N 0 3 196.319 2.368 10 0 AEAEHN Cc1cnc([C@H]2NC[C@H]2C(C)C)s1 306524308 345396680 /nfs/dbraw/zinc/39/66/80/345396680.db2.gz ABGNCWDNSJSJDR-IUCAKERBSA-N 0 3 196.319 2.368 10 0 AEAEHN Cc1cnc([C@@H]2NC[C@H]2C(C)C)s1 306524307 345396803 /nfs/dbraw/zinc/39/68/03/345396803.db2.gz ABGNCWDNSJSJDR-DTWKUNHWSA-N 0 3 196.319 2.368 10 0 AEAEHN CN[C@@]1(c2nccs2)CCC1(C)C 306530997 345402635 /nfs/dbraw/zinc/40/26/35/345402635.db2.gz KLQFLJZBRWDLHS-SNVBAGLBSA-N 0 3 196.319 2.378 10 0 AEAEHN CN[C@]1(c2nccs2)CCC1(C)C 306530996 345402748 /nfs/dbraw/zinc/40/27/48/345402748.db2.gz KLQFLJZBRWDLHS-JTQLQIEISA-N 0 3 196.319 2.378 10 0 AEAEHN CCC(=O)[C@@H](C)N1CCC2(CCC2)C1 306531820 345403392 /nfs/dbraw/zinc/40/33/92/345403392.db2.gz AVFSJAPJHQXYSM-SNVBAGLBSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC2(CCC2)C1 306531819 345403615 /nfs/dbraw/zinc/40/36/15/345403615.db2.gz AVFSJAPJHQXYSM-JTQLQIEISA-N 0 3 195.306 2.230 10 0 AEAEHN C/C=C/CN1CCS[C@H](C)[C@H]1C 306532366 345404199 /nfs/dbraw/zinc/40/41/99/345404199.db2.gz LSMIMPGMAWNSGA-NUNSBDKSSA-N 0 3 185.336 2.388 10 0 AEAEHN C/C=C/CN1CCS[C@H](C)[C@@H]1C 306532367 345404238 /nfs/dbraw/zinc/40/42/38/345404238.db2.gz LSMIMPGMAWNSGA-OCIBVNFRSA-N 0 3 185.336 2.388 10 0 AEAEHN Cc1cc(F)c(F)c2c1OCC[C@H]2N 306532863 345404846 /nfs/dbraw/zinc/40/48/46/345404846.db2.gz GVZQNEKEDOUIAN-SSDOTTSWSA-N 0 3 199.200 2.056 10 0 AEAEHN COc1ccnc(NC[C@H]2C[C@H]2C)c1 306532943 345405073 /nfs/dbraw/zinc/40/50/73/345405073.db2.gz HBWRXFZGHAUCRY-RKDXNWHRSA-N 0 3 192.262 2.158 10 0 AEAEHN Cc1cc(F)c(F)c2c1OCC[C@@H]2N 306532864 345405102 /nfs/dbraw/zinc/40/51/02/345405102.db2.gz GVZQNEKEDOUIAN-ZETCQYMHSA-N 0 3 199.200 2.056 10 0 AEAEHN COc1ccnc(NC[C@H]2C[C@@H]2C)c1 306532941 345405222 /nfs/dbraw/zinc/40/52/22/345405222.db2.gz HBWRXFZGHAUCRY-DTWKUNHWSA-N 0 3 192.262 2.158 10 0 AEAEHN COc1ccnc(NC[C@@H]2C[C@H]2C)c1 306532940 345405233 /nfs/dbraw/zinc/40/52/33/345405233.db2.gz HBWRXFZGHAUCRY-BDAKNGLRSA-N 0 3 192.262 2.158 10 0 AEAEHN C[C@@H]1[C@@H](NCc2cocn2)CC[C@H]1C 306534478 345406830 /nfs/dbraw/zinc/40/68/30/345406830.db2.gz DUIZQISROVHNLL-YWVKMMECSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@@H]1CC[C@H](NCc2cocn2)[C@@H]1C 306534476 345406959 /nfs/dbraw/zinc/40/69/59/345406959.db2.gz DUIZQISROVHNLL-KKZNHRDASA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@@H]1CC[C@@H](NCc2cocn2)[C@@H]1C 306534475 345406982 /nfs/dbraw/zinc/40/69/82/345406982.db2.gz DUIZQISROVHNLL-FXPVBKGRSA-N 0 3 194.278 2.199 10 0 AEAEHN C[C@H]1[C@H](C)CC[C@H]1NCc1cocn1 306534477 345407026 /nfs/dbraw/zinc/40/70/26/345407026.db2.gz DUIZQISROVHNLL-WCABBAIRSA-N 0 3 194.278 2.199 10 0 AEAEHN CCCNc1cccc(N2CCC2)n1 306534474 345407131 /nfs/dbraw/zinc/40/71/31/345407131.db2.gz DTXYUZGXFQQBOD-UHFFFAOYSA-N 0 3 191.278 2.114 10 0 AEAEHN CSC[C@@H](N)c1cnc(C)c(C)c1 306537305 345409861 /nfs/dbraw/zinc/40/98/61/345409861.db2.gz RHULBSHMNQLHCS-SNVBAGLBSA-N 0 3 196.319 2.061 10 0 AEAEHN CSC[C@H](N)c1cnc(C)c(C)c1 306537304 345409948 /nfs/dbraw/zinc/40/99/48/345409948.db2.gz RHULBSHMNQLHCS-JTQLQIEISA-N 0 3 196.319 2.061 10 0 AEAEHN C[C@@H]1CC[C@@H]1NCc1cccnc1F 306545887 345420354 /nfs/dbraw/zinc/42/03/54/345420354.db2.gz AZYBKVNDQNKFGA-SCZZXKLOSA-N 0 3 194.253 2.109 10 0 AEAEHN C[C@@H]1CC[C@H]1NCc1cccnc1F 306545878 345420471 /nfs/dbraw/zinc/42/04/71/345420471.db2.gz AZYBKVNDQNKFGA-PSASIEDQSA-N 0 3 194.253 2.109 10 0 AEAEHN C[C@H]1CC[C@H]1NCc1cccnc1F 306545895 345420517 /nfs/dbraw/zinc/42/05/17/345420517.db2.gz AZYBKVNDQNKFGA-WCBMZHEXSA-N 0 3 194.253 2.109 10 0 AEAEHN C[C@H]1CC[C@@H]1NCc1cccnc1F 306545902 345420672 /nfs/dbraw/zinc/42/06/72/345420672.db2.gz AZYBKVNDQNKFGA-WPRPVWTQSA-N 0 3 194.253 2.109 10 0 AEAEHN CC(C)[C@H](C)[C@]1(F)CCCNC1 306547906 345422397 /nfs/dbraw/zinc/42/23/97/345422397.db2.gz XOOZDAKTTAPSEO-UWVGGRQHSA-N 0 3 173.275 2.370 10 0 AEAEHN C[C@@H]1CCCN(CC2(F)CC2)C1 306548103 345422580 /nfs/dbraw/zinc/42/25/80/345422580.db2.gz NPJOXFYHDPUPBF-SECBINFHSA-N 0 3 171.259 2.220 10 0 AEAEHN Cc1nc([C@@H](C)N)cn1C1CCCC1 306547858 345422595 /nfs/dbraw/zinc/42/25/95/345422595.db2.gz XLTJFGILTNTWPZ-MRVPVSSYSA-N 0 3 193.294 2.326 10 0 AEAEHN CC(C)[C@@H](C)[C@@]1(F)CCCNC1 306547904 345422621 /nfs/dbraw/zinc/42/26/21/345422621.db2.gz XOOZDAKTTAPSEO-NXEZZACHSA-N 0 3 173.275 2.370 10 0 AEAEHN CC(C)[C@@H](C)[C@]1(F)CCCNC1 306547910 345422683 /nfs/dbraw/zinc/42/26/83/345422683.db2.gz XOOZDAKTTAPSEO-ZJUUUORDSA-N 0 3 173.275 2.370 10 0 AEAEHN CC(C)[C@H](C)[C@@]1(F)CCCNC1 306547908 345422704 /nfs/dbraw/zinc/42/27/04/345422704.db2.gz XOOZDAKTTAPSEO-VHSXEESVSA-N 0 3 173.275 2.370 10 0 AEAEHN CCCNC(=N)c1cc(C)cc(C)n1 306548792 345423662 /nfs/dbraw/zinc/42/36/62/345423662.db2.gz XTMYYAQCQMDRBT-UHFFFAOYSA-N 0 3 191.278 2.023 10 0 AEAEHN C[C@H](c1ccoc1)N1CCCC1 306550178 345425192 /nfs/dbraw/zinc/42/51/92/345425192.db2.gz SSVCDPLIQCVGDG-SECBINFHSA-N 0 3 165.236 2.436 10 0 AEAEHN CC(C)CCN1[C@@H](C)COC[C@@H]1C 306550023 345425274 /nfs/dbraw/zinc/42/52/74/345425274.db2.gz ZFJKHIUHHKYWQQ-QWRGUYRKSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@@H](c1ccoc1)N1CCCC1 306550179 345425321 /nfs/dbraw/zinc/42/53/21/345425321.db2.gz SSVCDPLIQCVGDG-VIFPVBQESA-N 0 3 165.236 2.436 10 0 AEAEHN CC(C)CCN1[C@H](C)COC[C@H]1C 306550021 345425358 /nfs/dbraw/zinc/42/53/58/345425358.db2.gz ZFJKHIUHHKYWQQ-GHMZBOCLSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)CCN1[C@@H](C)COC[C@H]1C 306550022 345425424 /nfs/dbraw/zinc/42/54/24/345425424.db2.gz ZFJKHIUHHKYWQQ-PHIMTYICSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)C1CN(Cc2ccc[nH]2)C1 306551232 345426314 /nfs/dbraw/zinc/42/63/14/345426314.db2.gz ZXPHKMHSRIGVDN-UHFFFAOYSA-N 0 3 178.279 2.103 10 0 AEAEHN CC(C)=CCN1CCS[C@@H](C)C1 306552390 345428380 /nfs/dbraw/zinc/42/83/80/345428380.db2.gz YDXIFWATCJJHIF-JTQLQIEISA-N 0 3 185.336 2.390 10 0 AEAEHN CC(C)CC[C@H]1NCCCS1 306554870 345430494 /nfs/dbraw/zinc/43/04/94/345430494.db2.gz CFJGIMIARAYHLZ-VIFPVBQESA-N 0 3 173.325 2.475 10 0 AEAEHN CC(C)CC[C@@H]1NCCCS1 306554869 345430652 /nfs/dbraw/zinc/43/06/52/345430652.db2.gz CFJGIMIARAYHLZ-SECBINFHSA-N 0 3 173.325 2.475 10 0 AEAEHN CCC1(C)CN(C[C@H]2CCCC2=O)C1 306555592 345431047 /nfs/dbraw/zinc/43/10/47/345431047.db2.gz MBJCPDLJXFDVAL-SNVBAGLBSA-N 0 3 195.306 2.088 10 0 AEAEHN CCC1(C)CN(C[C@@H]2CCCC2=O)C1 306555590 345431129 /nfs/dbraw/zinc/43/11/29/345431129.db2.gz MBJCPDLJXFDVAL-JTQLQIEISA-N 0 3 195.306 2.088 10 0 AEAEHN CC(C)C1(N2CCC(=O)C[C@H]2C)CC1 306557425 345432961 /nfs/dbraw/zinc/43/29/61/345432961.db2.gz IZTBCQKCQISJCF-SNVBAGLBSA-N 0 3 195.306 2.228 10 0 AEAEHN CC(C)C1(N2CCC(=O)C[C@@H]2C)CC1 306557424 345433024 /nfs/dbraw/zinc/43/30/24/345433024.db2.gz IZTBCQKCQISJCF-JTQLQIEISA-N 0 3 195.306 2.228 10 0 AEAEHN Cc1ccoc1CN[C@H]1CC[C@@H]1C 306558336 345433881 /nfs/dbraw/zinc/43/38/81/345433881.db2.gz OOYGQWCKMSBFPE-WPRPVWTQSA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1ccoc1CN[C@@H]1CC[C@@H]1C 306558335 345433912 /nfs/dbraw/zinc/43/39/12/345433912.db2.gz OOYGQWCKMSBFPE-WCBMZHEXSA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1ccoc1CN[C@H]1CC[C@H]1C 306558334 345433972 /nfs/dbraw/zinc/43/39/72/345433972.db2.gz OOYGQWCKMSBFPE-SCZZXKLOSA-N 0 3 179.263 2.476 10 0 AEAEHN NCc1cscc1[C@H]1CCCO1 306558306 345434012 /nfs/dbraw/zinc/43/40/12/345434012.db2.gz OKIQPRNQYJLRST-SECBINFHSA-N 0 3 183.276 2.058 10 0 AEAEHN NCc1cscc1[C@@H]1CCCO1 306558307 345434050 /nfs/dbraw/zinc/43/40/50/345434050.db2.gz OKIQPRNQYJLRST-VIFPVBQESA-N 0 3 183.276 2.058 10 0 AEAEHN Cc1ccoc1CN[C@@H]1CC[C@H]1C 306558333 345434139 /nfs/dbraw/zinc/43/41/39/345434139.db2.gz OOYGQWCKMSBFPE-PSASIEDQSA-N 0 3 179.263 2.476 10 0 AEAEHN c1cc(N[C@H]2C[C@@H]3C[C@@H]3C2)ccn1 306559466 345435213 /nfs/dbraw/zinc/43/52/13/345435213.db2.gz AKIIUZRUQCNMSN-DOFRTFSJSA-N 0 3 174.247 2.292 10 0 AEAEHN C1CCC(C[C@@H]2NCCS2)C1 306565151 345441160 /nfs/dbraw/zinc/44/11/60/345441160.db2.gz XLBZCEBRCVSHOO-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN C1CCC(C[C@H]2NCCS2)C1 306565152 345441298 /nfs/dbraw/zinc/44/12/98/345441298.db2.gz XLBZCEBRCVSHOO-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN CC(C)n1cc([C@@H]2NCC2(C)C)cn1 306565237 345441681 /nfs/dbraw/zinc/44/16/81/345441681.db2.gz QZLKPGNGJVLVGN-JTQLQIEISA-N 0 3 193.294 2.135 10 0 AEAEHN CC(C)n1cc([C@H]2NCC2(C)C)cn1 306565239 345441750 /nfs/dbraw/zinc/44/17/50/345441750.db2.gz QZLKPGNGJVLVGN-SNVBAGLBSA-N 0 3 193.294 2.135 10 0 AEAEHN CC(C)(N)[C@@H](F)c1ccco1 306565887 345442389 /nfs/dbraw/zinc/44/23/89/345442389.db2.gz YTKIJHPWAKALDI-ZETCQYMHSA-N 0 3 157.188 2.028 10 0 AEAEHN CC(C)(N)[C@H](F)c1ccco1 306565884 345442590 /nfs/dbraw/zinc/44/25/90/345442590.db2.gz YTKIJHPWAKALDI-SSDOTTSWSA-N 0 3 157.188 2.028 10 0 AEAEHN CCC1([C@@H](N)c2ccoc2)CC1 306566706 345443371 /nfs/dbraw/zinc/44/33/71/345443371.db2.gz YUATZRMOLNLYMW-VIFPVBQESA-N 0 3 165.236 2.470 10 0 AEAEHN CCC1([C@H](N)c2ccoc2)CC1 306566704 345443764 /nfs/dbraw/zinc/44/37/64/345443764.db2.gz YUATZRMOLNLYMW-SECBINFHSA-N 0 3 165.236 2.470 10 0 AEAEHN CC[C@H]1CCN1Cc1ccccn1 306567612 345444162 /nfs/dbraw/zinc/44/41/62/345444162.db2.gz CEWCJIVOSMFXLI-NSHDSACASA-N 0 3 176.263 2.066 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccccn1 306567607 345444350 /nfs/dbraw/zinc/44/43/50/345444350.db2.gz CEWCJIVOSMFXLI-LLVKDONJSA-N 0 3 176.263 2.066 10 0 AEAEHN C[C@@H]1CCN(CC2(F)CC2)C[C@@H]1C 306567881 345444662 /nfs/dbraw/zinc/44/46/62/345444662.db2.gz IMCKZDWFLJAUKW-ZJUUUORDSA-N 0 3 185.286 2.466 10 0 AEAEHN Cc1ccoc1CN[C@@H]1CC[C@H]2C[C@H]21 306568068 345444693 /nfs/dbraw/zinc/44/46/93/345444693.db2.gz UDUXZBQHYHDQDX-HBNTYKKESA-N 0 3 191.274 2.476 10 0 AEAEHN C[C@@H]1CN(CC2(F)CC2)CC[C@H]1C 306567875 345444785 /nfs/dbraw/zinc/44/47/85/345444785.db2.gz IMCKZDWFLJAUKW-NXEZZACHSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@H]1CCN(CC2(F)CC2)C[C@@H]1C 306567877 345444947 /nfs/dbraw/zinc/44/49/47/345444947.db2.gz IMCKZDWFLJAUKW-UWVGGRQHSA-N 0 3 185.286 2.466 10 0 AEAEHN C[C@H]1CO[C@H](C)CN1CC(C)(C)C 306568807 345445348 /nfs/dbraw/zinc/44/53/48/345445348.db2.gz JRTWAKKKIIBJND-VHSXEESVSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@H]1CN(CC(C)(C)C)[C@H](C)CO1 306568808 345445423 /nfs/dbraw/zinc/44/54/23/345445423.db2.gz JRTWAKKKIIBJND-ZJUUUORDSA-N 0 3 185.311 2.142 10 0 AEAEHN CC1=CCCN(Cc2ccc[nH]2)C1 306568604 345445453 /nfs/dbraw/zinc/44/54/53/345445453.db2.gz JKDDNSGUISXDSS-UHFFFAOYSA-N 0 3 176.263 2.167 10 0 AEAEHN C[C@H]1CN(CC(C)(C)C)[C@@H](C)CO1 306568806 345445533 /nfs/dbraw/zinc/44/55/33/345445533.db2.gz JRTWAKKKIIBJND-UWVGGRQHSA-N 0 3 185.311 2.142 10 0 AEAEHN Cc1ccccc1CN1CC(C)C1 306571983 345449058 /nfs/dbraw/zinc/44/90/58/345449058.db2.gz OTEJRQSPPFUGQE-UHFFFAOYSA-N 0 3 175.275 2.447 10 0 AEAEHN CC(C)(C)NCc1ccns1 306576330 345453678 /nfs/dbraw/zinc/45/36/78/345453678.db2.gz KKVOWWSMYOVTGV-UHFFFAOYSA-N 0 3 170.281 2.031 10 0 AEAEHN C[C@@H]1CN(c2ccncc2)C[C@H]1C 306577494 345454572 /nfs/dbraw/zinc/45/45/72/345454572.db2.gz VDRFSMLJXRDUIW-NXEZZACHSA-N 0 3 176.263 2.174 10 0 AEAEHN CC(C)[C@]1(C)C[C@H]1NC1=NCCS1 306577122 345454620 /nfs/dbraw/zinc/45/46/20/345454620.db2.gz LAJGJAUIASGSFP-SCZZXKLOSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1CN(c2ccncc2)C[C@@H]1C 306577493 345454815 /nfs/dbraw/zinc/45/48/15/345454815.db2.gz VDRFSMLJXRDUIW-AOOOYVTPSA-N 0 3 176.263 2.174 10 0 AEAEHN CC(C)[C@@]1(C)C[C@H]1NC1=NCCS1 306577121 345454832 /nfs/dbraw/zinc/45/48/32/345454832.db2.gz LAJGJAUIASGSFP-PSASIEDQSA-N 0 3 198.335 2.113 10 0 AEAEHN CC(C)[C@]1(C)C[C@@H]1NC1=NCCS1 306577124 345454888 /nfs/dbraw/zinc/45/48/88/345454888.db2.gz LAJGJAUIASGSFP-WPRPVWTQSA-N 0 3 198.335 2.113 10 0 AEAEHN Cc1cc(CNC2CSC2)cs1 306578710 345455691 /nfs/dbraw/zinc/45/56/91/345455691.db2.gz MKNQCFRJGAXIQH-UHFFFAOYSA-N 0 3 199.344 2.262 10 0 AEAEHN CC[C@](N)(C(F)F)[C@@H]1CC1(C)C 306578269 345455724 /nfs/dbraw/zinc/45/57/24/345455724.db2.gz MAGSBPYPFSLPHT-HZGVNTEJSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@@](N)(C(F)F)[C@@H]1CC1(C)C 306578274 345455821 /nfs/dbraw/zinc/45/58/21/345455821.db2.gz MAGSBPYPFSLPHT-MUWHJKNJSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@@](N)(C(F)F)[C@H]1CC1(C)C 306578275 345455905 /nfs/dbraw/zinc/45/59/05/345455905.db2.gz MAGSBPYPFSLPHT-RCOVLWMOSA-N 0 3 177.238 2.405 10 0 AEAEHN CC[C@](N)(C(F)F)[C@H]1CC1(C)C 306578272 345456051 /nfs/dbraw/zinc/45/60/51/345456051.db2.gz MAGSBPYPFSLPHT-IMTBSYHQSA-N 0 3 177.238 2.405 10 0 AEAEHN C[C@H](NC1=NCCS1)[C@@H]1CC1(C)C 306578902 345456143 /nfs/dbraw/zinc/45/61/43/345456143.db2.gz MTEUTDHUUBUULP-YUMQZZPRSA-N 0 3 198.335 2.113 10 0 AEAEHN CC[C@@]1(C)CCN([C@H]2CCCC2=O)C1 306579275 345456179 /nfs/dbraw/zinc/45/61/79/345456179.db2.gz MWEDNMFATBGJPB-JQWIXIFHSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@]1(C)CCN([C@H]2CCCC2=O)C1 306579274 345456363 /nfs/dbraw/zinc/45/63/63/345456363.db2.gz MWEDNMFATBGJPB-CMPLNLGQSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@@]1(C)CCN([C@@H]2CCCC2=O)C1 306579276 345456384 /nfs/dbraw/zinc/45/63/84/345456384.db2.gz MWEDNMFATBGJPB-PWSUYJOCSA-N 0 3 195.306 2.230 10 0 AEAEHN CC[C@]1(C)CCN([C@@H]2CCCC2=O)C1 306579277 345456402 /nfs/dbraw/zinc/45/64/02/345456402.db2.gz MWEDNMFATBGJPB-ZYHUDNBSSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@H](NC1=NCCS1)[C@H]1CC1(C)C 306578900 345456429 /nfs/dbraw/zinc/45/64/29/345456429.db2.gz MTEUTDHUUBUULP-JGVFFNPUSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H](NC1=NCCS1)[C@@H]1CC1(C)C 306578901 345456582 /nfs/dbraw/zinc/45/65/82/345456582.db2.gz MTEUTDHUUBUULP-SFYZADRCSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H](NC1=NCCS1)[C@H]1CC1(C)C 306578899 345456627 /nfs/dbraw/zinc/45/66/27/345456627.db2.gz MTEUTDHUUBUULP-HTQZYQBOSA-N 0 3 198.335 2.113 10 0 AEAEHN NCc1csc(CC2CC2)c1 306582024 345459199 /nfs/dbraw/zinc/45/91/99/345459199.db2.gz CQPLBALMKCSRGS-UHFFFAOYSA-N 0 3 167.277 2.159 10 0 AEAEHN C[C@@H]1CN[C@@H](CCC2CC2)S1 306585316 345461908 /nfs/dbraw/zinc/46/19/08/345461908.db2.gz HKPYVMHKKKMTDU-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CN[C@H](CCC2CC2)S1 306585307 345461969 /nfs/dbraw/zinc/46/19/69/345461969.db2.gz HKPYVMHKKKMTDU-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CN[C@H](CCC2CC2)S1 306585308 345462019 /nfs/dbraw/zinc/46/20/19/345462019.db2.gz HKPYVMHKKKMTDU-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CN[C@@H](CCC2CC2)S1 306585309 345462137 /nfs/dbraw/zinc/46/21/37/345462137.db2.gz HKPYVMHKKKMTDU-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1CCC(C)(CNC2COC2)CC1 306585843 345462458 /nfs/dbraw/zinc/46/24/58/345462458.db2.gz IGQXDSMZTFOIEF-UHFFFAOYSA-N 0 3 197.322 2.191 10 0 AEAEHN CC[C@]1(C)C[C@@H]1n1cncc1[C@H](C)N 306591285 345468682 /nfs/dbraw/zinc/46/86/82/345468682.db2.gz YLHKKSOQPVKRDR-INTQDDNPSA-N 0 3 193.294 2.264 10 0 AEAEHN CC[C@]1(C)C[C@@H]1n1cncc1[C@@H](C)N 306591283 345468701 /nfs/dbraw/zinc/46/87/01/345468701.db2.gz YLHKKSOQPVKRDR-DVVUODLYSA-N 0 3 193.294 2.264 10 0 AEAEHN CC[C@]1(C)C[C@H]1n1cncc1[C@H](C)N 306591286 345468849 /nfs/dbraw/zinc/46/88/49/345468849.db2.gz YLHKKSOQPVKRDR-JMJZKYOTSA-N 0 3 193.294 2.264 10 0 AEAEHN CC[C@]1(C)C[C@H]1n1cncc1[C@@H](C)N 306591284 345468862 /nfs/dbraw/zinc/46/88/62/345468862.db2.gz YLHKKSOQPVKRDR-FBIMIBRVSA-N 0 3 193.294 2.264 10 0 AEAEHN Cc1cnc([C@@H]2NCC23CCC3)s1 306594988 345471644 /nfs/dbraw/zinc/47/16/44/345471644.db2.gz KLNRJMWNHJPRJI-QMMMGPOBSA-N 0 3 194.303 2.266 10 0 AEAEHN Cc1cnc([C@H]2NCC23CCC3)s1 306594985 345471792 /nfs/dbraw/zinc/47/17/92/345471792.db2.gz KLNRJMWNHJPRJI-MRVPVSSYSA-N 0 3 194.303 2.266 10 0 AEAEHN C[C@@H]1CN[C@@H](CCC2CC2)SC1 306595944 345472416 /nfs/dbraw/zinc/47/24/16/345472416.db2.gz MBIHULVXFDBHNS-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CN[C@H](CCC2CC2)SC1 306595948 345472445 /nfs/dbraw/zinc/47/24/45/345472445.db2.gz MBIHULVXFDBHNS-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN CCCC1(Nc2cccc(N)n2)CC1 306595924 345472577 /nfs/dbraw/zinc/47/25/77/345472577.db2.gz LYNCKRGHRYVAAC-UHFFFAOYSA-N 0 3 191.278 2.408 10 0 AEAEHN CC(C)C1(Nc2cnccc2N)CC1 306596574 345472738 /nfs/dbraw/zinc/47/27/38/345472738.db2.gz MTAOBPFZDAUFKB-UHFFFAOYSA-N 0 3 191.278 2.264 10 0 AEAEHN CCCC1(NC2=NC[C@@H](C)S2)CC1 306598450 345474456 /nfs/dbraw/zinc/47/44/56/345474456.db2.gz PRAPDAUDDIRXRP-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CCCC1(NC2=NC[C@H](C)S2)CC1 306598452 345474691 /nfs/dbraw/zinc/47/46/91/345474691.db2.gz PRAPDAUDDIRXRP-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN Fc1ccc(F)c([C@H]2C=CCN2)c1 306600456 345476817 /nfs/dbraw/zinc/47/68/17/345476817.db2.gz JAXPULWFVLCLLY-SNVBAGLBSA-N 0 3 181.185 2.165 10 0 AEAEHN Fc1ccc(F)c([C@@H]2C=CCN2)c1 306600455 345476953 /nfs/dbraw/zinc/47/69/53/345476953.db2.gz JAXPULWFVLCLLY-JTQLQIEISA-N 0 3 181.185 2.165 10 0 AEAEHN CN[C@H](C)c1cn(C(C)(C)C)nc1C 306601989 345477854 /nfs/dbraw/zinc/47/78/54/345477854.db2.gz VGFOWURETDFQNF-MRVPVSSYSA-N 0 3 195.310 2.227 10 0 AEAEHN CN[C@@H](C)c1cn(C(C)(C)C)nc1C 306601990 345478189 /nfs/dbraw/zinc/47/81/89/345478189.db2.gz VGFOWURETDFQNF-QMMMGPOBSA-N 0 3 195.310 2.227 10 0 AEAEHN CCC1(NC2=NC[C@H](C)CS2)CC1 306603476 345479265 /nfs/dbraw/zinc/47/92/65/345479265.db2.gz XKVJXPLTRZIXPM-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN CCC1(NC2=NC[C@@H](C)CS2)CC1 306603475 345479277 /nfs/dbraw/zinc/47/92/77/345479277.db2.gz XKVJXPLTRZIXPM-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN Cc1cccc(CN2CC(C)C2)c1 306604189 345479759 /nfs/dbraw/zinc/47/97/59/345479759.db2.gz NPTBJQMVCKTHII-UHFFFAOYSA-N 0 3 175.275 2.447 10 0 AEAEHN C[C@H]1CCC[C@@H](C=C2CNC2)C1 306606129 345481011 /nfs/dbraw/zinc/48/10/11/345481011.db2.gz QVRGAEYNDFNDTO-VHSXEESVSA-N 0 3 165.280 2.342 10 0 AEAEHN C[C@@H]1CCC[C@@H](C=C2CNC2)C1 306606127 345481022 /nfs/dbraw/zinc/48/10/22/345481022.db2.gz QVRGAEYNDFNDTO-NXEZZACHSA-N 0 3 165.280 2.342 10 0 AEAEHN C[C@H]1CCC[C@H](C=C2CNC2)C1 306606128 345481118 /nfs/dbraw/zinc/48/11/18/345481118.db2.gz QVRGAEYNDFNDTO-UWVGGRQHSA-N 0 3 165.280 2.342 10 0 AEAEHN C[C@@H]1CCC[C@H](C=C2CNC2)C1 306606130 345481134 /nfs/dbraw/zinc/48/11/34/345481134.db2.gz QVRGAEYNDFNDTO-ZJUUUORDSA-N 0 3 165.280 2.342 10 0 AEAEHN CC[C@]1(C)C[C@@H]1NC1=N[C@@H](C)CS1 306606611 345481452 /nfs/dbraw/zinc/48/14/52/345481452.db2.gz HHXIAOXEFAYPSS-OYNCUSHFSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)C[C@H]1NC1=N[C@@H](C)CS1 306606612 345481789 /nfs/dbraw/zinc/48/17/89/345481789.db2.gz HHXIAOXEFAYPSS-QXFUBDJGSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)C[C@H]1NC1=N[C@H](C)CS1 306606610 345481831 /nfs/dbraw/zinc/48/18/31/345481831.db2.gz HHXIAOXEFAYPSS-NQMVMOMDSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)C[C@@H]1NC1=N[C@H](C)CS1 306606609 345481868 /nfs/dbraw/zinc/48/18/68/345481868.db2.gz HHXIAOXEFAYPSS-KHQFGBGNSA-N 0 3 198.335 2.256 10 0 AEAEHN C1CCC2(C1)C[C@H]2NC1=NCCS1 306610975 345485168 /nfs/dbraw/zinc/48/51/68/345485168.db2.gz BXSLIQRIQCYPOW-MRVPVSSYSA-N 0 3 196.319 2.012 10 0 AEAEHN C1CCC2(C1)C[C@@H]2NC1=NCCS1 306610976 345485286 /nfs/dbraw/zinc/48/52/86/345485286.db2.gz BXSLIQRIQCYPOW-QMMMGPOBSA-N 0 3 196.319 2.012 10 0 AEAEHN c1cc(CN[C@@H]2[C@H]3CCC[C@H]32)co1 306611243 345485781 /nfs/dbraw/zinc/48/57/81/345485781.db2.gz FWGLXJGZMCYKDI-URLYPYJESA-N 0 3 177.247 2.168 10 0 AEAEHN Cc1nc([C@H](N)C2CCCC2)co1 306615509 345488656 /nfs/dbraw/zinc/48/86/56/345488656.db2.gz NPIOFYMLTOSQLH-SNVBAGLBSA-N 0 3 180.251 2.173 10 0 AEAEHN Cc1nc([C@@H](N)C2CCCC2)co1 306615508 345488660 /nfs/dbraw/zinc/48/86/60/345488660.db2.gz NPIOFYMLTOSQLH-JTQLQIEISA-N 0 3 180.251 2.173 10 0 AEAEHN N[C@H](c1cscn1)[C@@H]1[C@H]2CCC[C@H]21 306615880 345489337 /nfs/dbraw/zinc/48/93/37/345489337.db2.gz OIQBFAXWNYYKBX-GOZTYBTRSA-N 0 3 194.303 2.189 10 0 AEAEHN C/C=C/CN1CC[C@@H](C(F)F)C1 306616745 345490361 /nfs/dbraw/zinc/49/03/61/345490361.db2.gz PHDZZSQSNVUBJR-UFUPEUMYSA-N 0 3 175.222 2.150 10 0 AEAEHN C/C=C/CN1CC[C@H](C(F)F)C1 306616744 345490502 /nfs/dbraw/zinc/49/05/02/345490502.db2.gz PHDZZSQSNVUBJR-SGJFDWMWSA-N 0 3 175.222 2.150 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1ccn(C)c1 306617577 345491063 /nfs/dbraw/zinc/49/10/63/345491063.db2.gz QTFTXIRPPXXHCQ-UWVGGRQHSA-N 0 3 178.279 2.008 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1ccn(C)c1 306617575 345491373 /nfs/dbraw/zinc/49/13/73/345491373.db2.gz QTFTXIRPPXXHCQ-AOOOYVTPSA-N 0 3 178.279 2.008 10 0 AEAEHN CC(C)C1CN(Cc2ccoc2)C1 306619163 345492506 /nfs/dbraw/zinc/49/25/06/345492506.db2.gz UNTHBKNCSROQDR-UHFFFAOYSA-N 0 3 179.263 2.367 10 0 AEAEHN C[C@@H]1NC[C@H](c2ccco2)OC1(C)C 306620238 345493356 /nfs/dbraw/zinc/49/33/56/345493356.db2.gz WROHCXVXAZKGCL-WCBMZHEXSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H]1NC[C@@H](c2ccco2)OC1(C)C 306620237 345493418 /nfs/dbraw/zinc/49/34/18/345493418.db2.gz WROHCXVXAZKGCL-SCZZXKLOSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@@H]1NC[C@@H](c2ccco2)OC1(C)C 306620239 345493429 /nfs/dbraw/zinc/49/34/29/345493429.db2.gz WROHCXVXAZKGCL-WPRPVWTQSA-N 0 3 195.262 2.108 10 0 AEAEHN CC1(C2(NC3=NCCS3)CC2)CC1 306620583 345493610 /nfs/dbraw/zinc/49/36/10/345493610.db2.gz UXWMAPDPOJAUFR-UHFFFAOYSA-N 0 3 196.319 2.012 10 0 AEAEHN C[C@H]1NC[C@H](c2ccco2)OC1(C)C 306620236 345493777 /nfs/dbraw/zinc/49/37/77/345493777.db2.gz WROHCXVXAZKGCL-PSASIEDQSA-N 0 3 195.262 2.108 10 0 AEAEHN CN[C@H](c1ccsn1)[C@H]1CC1(C)C 306622017 345494096 /nfs/dbraw/zinc/49/40/96/345494096.db2.gz AFWCILMXMJLEDO-APPZFPTMSA-N 0 3 196.319 2.450 10 0 AEAEHN C[C@H](N)c1c[nH]c(C2CCCC2)n1 306622070 345494247 /nfs/dbraw/zinc/49/42/47/345494247.db2.gz CIEBMRUYGADDEX-ZETCQYMHSA-N 0 3 179.267 2.087 10 0 AEAEHN CN[C@@H](c1ccsn1)[C@H]1CC1(C)C 306622023 345494295 /nfs/dbraw/zinc/49/42/95/345494295.db2.gz AFWCILMXMJLEDO-VXNVDRBHSA-N 0 3 196.319 2.450 10 0 AEAEHN C[C@@H](N)c1c[nH]c(C2CCCC2)n1 306622068 345494423 /nfs/dbraw/zinc/49/44/23/345494423.db2.gz CIEBMRUYGADDEX-SSDOTTSWSA-N 0 3 179.267 2.087 10 0 AEAEHN CN[C@@H](c1ccsn1)[C@@H]1CC1(C)C 306622020 345494459 /nfs/dbraw/zinc/49/44/59/345494459.db2.gz AFWCILMXMJLEDO-IONNQARKSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(NC1=NCCS1)C1CCC1 306621710 345494471 /nfs/dbraw/zinc/49/44/71/345494471.db2.gz WBEWBILANLJRBY-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN c1cc([C@@H]2CCCCCN2)sn1 306622761 345494799 /nfs/dbraw/zinc/49/47/99/345494799.db2.gz WREOXSNCDDQWFW-QMMMGPOBSA-N 0 3 182.292 2.348 10 0 AEAEHN c1cc([C@H]2CCCCCN2)sn1 306622760 345494892 /nfs/dbraw/zinc/49/48/92/345494892.db2.gz WREOXSNCDDQWFW-MRVPVSSYSA-N 0 3 182.292 2.348 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H](N)c1ccns1 306623176 345495463 /nfs/dbraw/zinc/49/54/63/345495463.db2.gz WTMJMJWCHMCUEM-HTRCEHHLSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@@H]1[C@H](N)c1ccns1 306623178 345495469 /nfs/dbraw/zinc/49/54/69/345495469.db2.gz WTMJMJWCHMCUEM-SVRRBLITSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@H](N)c1ccns1 306623179 345495545 /nfs/dbraw/zinc/49/55/45/345495545.db2.gz WTMJMJWCHMCUEM-XPUUQOCRSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@@H](N)c1ccns1 306623177 345495564 /nfs/dbraw/zinc/49/55/64/345495564.db2.gz WTMJMJWCHMCUEM-POYBYMJQSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1SC(NC2(C)CCC2)=N[C@@H]1C 306625154 345496989 /nfs/dbraw/zinc/49/69/89/345496989.db2.gz GFUFFFNWDRJVQE-SFYZADRCSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@@H]1SC(NC(C)(C)C)=N[C@@H]1C 306625558 345497020 /nfs/dbraw/zinc/49/70/20/345497020.db2.gz GWWBVSPINNCKOU-RQJHMYQMSA-N 0 3 186.324 2.254 10 0 AEAEHN C[C@@H]1N=C(NC(C)(C)C)S[C@@H]1C 306625556 345497104 /nfs/dbraw/zinc/49/71/04/345497104.db2.gz GWWBVSPINNCKOU-NKWVEPMBSA-N 0 3 186.324 2.254 10 0 AEAEHN C[C@@H]1N=C(NC(C)(C)C)S[C@H]1C 306625555 345497112 /nfs/dbraw/zinc/49/71/12/345497112.db2.gz GWWBVSPINNCKOU-BQBZGAKWSA-N 0 3 186.324 2.254 10 0 AEAEHN C[C@H]1N=C(NC2(C)CCC2)S[C@@H]1C 306625152 345497134 /nfs/dbraw/zinc/49/71/34/345497134.db2.gz GFUFFFNWDRJVQE-HTQZYQBOSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@@H]1N=C(NC2(C)CCC2)S[C@@H]1C 306625153 345497189 /nfs/dbraw/zinc/49/71/89/345497189.db2.gz GFUFFFNWDRJVQE-JGVFFNPUSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@H]1N=C(NC(C)(C)C)S[C@@H]1C 306625557 345497210 /nfs/dbraw/zinc/49/72/10/345497210.db2.gz GWWBVSPINNCKOU-RNFRBKRXSA-N 0 3 186.324 2.254 10 0 AEAEHN C[C@@H]1N=C(NC2(C)CCC2)S[C@H]1C 306625155 345497322 /nfs/dbraw/zinc/49/73/22/345497322.db2.gz GFUFFFNWDRJVQE-YUMQZZPRSA-N 0 3 198.335 2.398 10 0 AEAEHN Cc1csc([C@@H]2NC[C@H]2C2CC2)n1 306626503 345498344 /nfs/dbraw/zinc/49/83/44/345498344.db2.gz YWHKOIVMCIUYRX-DTWKUNHWSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1csc([C@H]2NC[C@@H]2C2CC2)n1 306626502 345498348 /nfs/dbraw/zinc/49/83/48/345498348.db2.gz YWHKOIVMCIUYRX-BDAKNGLRSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1csc([C@@H]2NC[C@@H]2C2CC2)n1 306626505 345498368 /nfs/dbraw/zinc/49/83/68/345498368.db2.gz YWHKOIVMCIUYRX-RKDXNWHRSA-N 0 3 194.303 2.122 10 0 AEAEHN C[C@H]1[C@H](C)C[C@@]12NCCCS2 306630369 345500740 /nfs/dbraw/zinc/50/07/40/345500740.db2.gz MCPFEIDICWZKCZ-VGMNWLOBSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1C[C@]2(NCCCS2)[C@@H]1C 306630367 345500745 /nfs/dbraw/zinc/50/07/45/345500745.db2.gz MCPFEIDICWZKCZ-IWSPIJDZSA-N 0 3 171.309 2.085 10 0 AEAEHN CC[C@H]1CCN1Cc1ccncc1 306630412 345500763 /nfs/dbraw/zinc/50/07/63/345500763.db2.gz MHDXRFKGCSUZOO-NSHDSACASA-N 0 3 176.263 2.066 10 0 AEAEHN C[C@@H]1C[C@@]2(NCCCS2)[C@@H]1C 306630363 345501006 /nfs/dbraw/zinc/50/10/06/345501006.db2.gz MCPFEIDICWZKCZ-HLTSFMKQSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@H]1[C@H](C)C[C@]12NCCCS2 306630365 345501039 /nfs/dbraw/zinc/50/10/39/345501039.db2.gz MCPFEIDICWZKCZ-HRDYMLBCSA-N 0 3 171.309 2.085 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccncc1 306630411 345501048 /nfs/dbraw/zinc/50/10/48/345501048.db2.gz MHDXRFKGCSUZOO-LLVKDONJSA-N 0 3 176.263 2.066 10 0 AEAEHN C[C@@H]1CCN[C@](C)([C@@H]2C[C@H]2C)S1 306635591 345503749 /nfs/dbraw/zinc/50/37/49/345503749.db2.gz ADJFPUULOUWZDI-KYXWUPHJSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1C[C@@H]1[C@@]1(C)NCC[C@@H](C)S1 306635585 345503813 /nfs/dbraw/zinc/50/38/13/345503813.db2.gz ADJFPUULOUWZDI-JXUBOQSCSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCN[C@](C)([C@H]2C[C@H]2C)S1 306635575 345503829 /nfs/dbraw/zinc/50/38/29/345503829.db2.gz ADJFPUULOUWZDI-IMSYWVGJSA-N 0 3 185.336 2.474 10 0 AEAEHN CCNC1=N[C@H](C2CCCC2)CS1 306637678 345505884 /nfs/dbraw/zinc/50/58/84/345505884.db2.gz MHBZDZGQZKCISX-VIFPVBQESA-N 0 3 198.335 2.258 10 0 AEAEHN CCNC1=N[C@@H](C2CCCC2)CS1 306637662 345506114 /nfs/dbraw/zinc/50/61/14/345506114.db2.gz MHBZDZGQZKCISX-SECBINFHSA-N 0 3 198.335 2.258 10 0 AEAEHN CC(C)C1CN(CC2(F)CC2)C1 306640162 345508458 /nfs/dbraw/zinc/50/84/58/345508458.db2.gz PBEDNOLREVBZIC-UHFFFAOYSA-N 0 3 171.259 2.076 10 0 AEAEHN Cc1cc(-c2cc(CN)co2)ccn1 306645891 345514738 /nfs/dbraw/zinc/51/47/38/345514738.db2.gz CWTZDOTXCXJXGY-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CC[C@@H](NC)c1cocc1C 306647557 345516080 /nfs/dbraw/zinc/51/60/80/345516080.db2.gz GNAHQABFUTWVMH-SECBINFHSA-N 0 3 153.225 2.259 10 0 AEAEHN CC[C@H](NC)c1cocc1C 306647566 345516144 /nfs/dbraw/zinc/51/61/44/345516144.db2.gz GNAHQABFUTWVMH-VIFPVBQESA-N 0 3 153.225 2.259 10 0 AEAEHN Cc1nc2n(c1C(C)C)CCCN2 306648514 345516556 /nfs/dbraw/zinc/51/65/56/345516556.db2.gz GQNIHJKFWQZVTH-UHFFFAOYSA-N 0 3 179.267 2.131 10 0 AEAEHN c1coc([C@@H]2NC[C@@H]2C2CCC2)c1 306652368 345518945 /nfs/dbraw/zinc/51/89/45/345518945.db2.gz GHMLYXOWYSHJQH-MWLCHTKSSA-N 0 3 177.247 2.340 10 0 AEAEHN Cc1cc(C)nc(CNC(C)C)c1 306652916 345518960 /nfs/dbraw/zinc/51/89/60/345518960.db2.gz GOFZMVINSCEREE-UHFFFAOYSA-N 0 3 178.279 2.196 10 0 AEAEHN c1coc([C@@H]2NC[C@H]2C2CCC2)c1 306652366 345518993 /nfs/dbraw/zinc/51/89/93/345518993.db2.gz GHMLYXOWYSHJQH-GXSJLCMTSA-N 0 3 177.247 2.340 10 0 AEAEHN c1coc([C@H]2NC[C@H]2C2CCC2)c1 306652369 345519047 /nfs/dbraw/zinc/51/90/47/345519047.db2.gz GHMLYXOWYSHJQH-ONGXEEELSA-N 0 3 177.247 2.340 10 0 AEAEHN c1coc([C@H]2NC[C@@H]2C2CCC2)c1 306652367 345519122 /nfs/dbraw/zinc/51/91/22/345519122.db2.gz GHMLYXOWYSHJQH-KOLCDFICSA-N 0 3 177.247 2.340 10 0 AEAEHN C[C@@H]1CN(c2ccncc2)CCS1 306653399 345519618 /nfs/dbraw/zinc/51/96/18/345519618.db2.gz GULNXIKNFCSYCT-SECBINFHSA-N 0 3 194.303 2.023 10 0 AEAEHN C[C@H]1CN(c2ccncc2)CCS1 306653404 345519659 /nfs/dbraw/zinc/51/96/59/345519659.db2.gz GULNXIKNFCSYCT-VIFPVBQESA-N 0 3 194.303 2.023 10 0 AEAEHN CC(C)Cc1cc(CN)cs1 306653804 345519867 /nfs/dbraw/zinc/51/98/67/345519867.db2.gz HBSPVEHRGUHBPP-UHFFFAOYSA-N 0 3 169.293 2.405 10 0 AEAEHN NCc1coc(-c2ccsc2)c1 306658606 345523752 /nfs/dbraw/zinc/52/37/52/345523752.db2.gz IXBZIHMXJWJVKW-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN C[C@@H]1N=C(NCC2CCC2)S[C@H]1C 306660986 345525922 /nfs/dbraw/zinc/52/59/22/345525922.db2.gz NLRHYHFIWBRVLK-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1N=C(NCC2CCC2)S[C@@H]1C 306660984 345526170 /nfs/dbraw/zinc/52/61/70/345526170.db2.gz NLRHYHFIWBRVLK-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CN[C@H](C)[C@@H](c2ccsc2)O1 306665850 345528672 /nfs/dbraw/zinc/52/86/72/345528672.db2.gz UKPZBTLEIJFDGV-MRTMQBJTSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1CN[C@H](C)[C@H](c2ccsc2)O1 306665851 345528745 /nfs/dbraw/zinc/52/87/45/345528745.db2.gz UKPZBTLEIJFDGV-NQMVMOMDSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@@H](C)O[C@H]1c1ccsc1 306665849 345528902 /nfs/dbraw/zinc/52/89/02/345528902.db2.gz UKPZBTLEIJFDGV-KHQFGBGNSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@@H](C)O[C@@H]1c1ccsc1 306665852 345529156 /nfs/dbraw/zinc/52/91/56/345529156.db2.gz UKPZBTLEIJFDGV-WEDXCCLWSA-N 0 3 197.303 2.186 10 0 AEAEHN CC1(C)SC[C@@H]1Nc1ccncc1 306675465 345537568 /nfs/dbraw/zinc/53/75/68/345537568.db2.gz SPXDEBKQWUFQMJ-VIFPVBQESA-N 0 3 194.303 2.388 10 0 AEAEHN CC1(C)SC[C@H]1Nc1ccncc1 306675464 345537737 /nfs/dbraw/zinc/53/77/37/345537737.db2.gz SPXDEBKQWUFQMJ-SECBINFHSA-N 0 3 194.303 2.388 10 0 AEAEHN Cc1ccc(-c2cc(CN)co2)cn1 306675452 345537741 /nfs/dbraw/zinc/53/77/41/345537741.db2.gz SOQVXPDRGAARSS-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CC(C)[C@@H](C)[C@H](N)c1ccccn1 306677139 345539043 /nfs/dbraw/zinc/53/90/43/345539043.db2.gz YHCVNXGELLQWNO-KOLCDFICSA-N 0 3 178.279 2.374 10 0 AEAEHN CC(C)[C@H](C)[C@@H](N)c1ccccn1 306677138 345539051 /nfs/dbraw/zinc/53/90/51/345539051.db2.gz YHCVNXGELLQWNO-GXSJLCMTSA-N 0 3 178.279 2.374 10 0 AEAEHN CC(C)[C@H](C)[C@H](N)c1ccccn1 306677141 345539198 /nfs/dbraw/zinc/53/91/98/345539198.db2.gz YHCVNXGELLQWNO-ONGXEEELSA-N 0 3 178.279 2.374 10 0 AEAEHN CC(C)[C@@H](C)[C@@H](N)c1ccccn1 306677140 345539294 /nfs/dbraw/zinc/53/92/94/345539294.db2.gz YHCVNXGELLQWNO-MWLCHTKSSA-N 0 3 178.279 2.374 10 0 AEAEHN CC[C@H](C)NC1=N[C@H](C)[C@@H](C)S1 306678582 345540795 /nfs/dbraw/zinc/54/07/95/345540795.db2.gz AOLGJZABGNMAET-XLPZGREQSA-N 0 3 186.324 2.254 10 0 AEAEHN CC[C@H](C)NC1=N[C@H](C)[C@H](C)S1 306678581 345541210 /nfs/dbraw/zinc/54/12/10/345541210.db2.gz AOLGJZABGNMAET-RNJXMRFFSA-N 0 3 186.324 2.254 10 0 AEAEHN C[N@H+](Cc1ccc([O-])cn1)C(C)(C)C 306680077 345541564 /nfs/dbraw/zinc/54/15/64/345541564.db2.gz JPLFRFGBPBGPHF-UHFFFAOYSA-N 0 3 194.278 2.018 10 0 AEAEHN C[N@@H+](Cc1ccc([O-])cn1)C(C)(C)C 306680077 345541565 /nfs/dbraw/zinc/54/15/65/345541565.db2.gz JPLFRFGBPBGPHF-UHFFFAOYSA-N 0 3 194.278 2.018 10 0 AEAEHN C[C@@H]1CO[C@H](c2ccsc2)[C@@H](C)N1 306680873 345542140 /nfs/dbraw/zinc/54/21/40/345542140.db2.gz MLHWTKGWVNWAKK-MRTMQBJTSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1CO[C@@H](c2ccsc2)[C@@H](C)N1 306680874 345542154 /nfs/dbraw/zinc/54/21/54/345542154.db2.gz MLHWTKGWVNWAKK-NQMVMOMDSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1N[C@H](C)CO[C@@H]1c1ccsc1 306680875 345542238 /nfs/dbraw/zinc/54/22/38/345542238.db2.gz MLHWTKGWVNWAKK-WEDXCCLWSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1N[C@H](C)CO[C@H]1c1ccsc1 306680872 345542249 /nfs/dbraw/zinc/54/22/49/345542249.db2.gz MLHWTKGWVNWAKK-KHQFGBGNSA-N 0 3 197.303 2.186 10 0 AEAEHN CCC(CC)[C@]1(O)CCN(C)C[C@@H]1C 306681503 345542760 /nfs/dbraw/zinc/54/27/60/345542760.db2.gz OCOOUBLGCBXBFV-JQWIXIFHSA-N 0 3 199.338 2.125 10 0 AEAEHN CNc1cccc(N(C)C(C)(C)C)n1 306681016 345542803 /nfs/dbraw/zinc/54/28/03/345542803.db2.gz MVZFAMKNLBRIAZ-UHFFFAOYSA-N 0 3 193.294 2.358 10 0 AEAEHN CCC(CC)[C@@]1(O)CCN(C)C[C@@H]1C 306681502 345542891 /nfs/dbraw/zinc/54/28/91/345542891.db2.gz OCOOUBLGCBXBFV-CMPLNLGQSA-N 0 3 199.338 2.125 10 0 AEAEHN CCN([C@H]1CCCC1=O)C(C)(C)C 306681196 345542998 /nfs/dbraw/zinc/54/29/98/345542998.db2.gz NGUFUAOEELQQTF-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CCN([C@@H]1CCCC1=O)C(C)(C)C 306681195 345543051 /nfs/dbraw/zinc/54/30/51/345543051.db2.gz NGUFUAOEELQQTF-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CCC(CC)[C@]1(O)CCN(C)C[C@H]1C 306681504 345543066 /nfs/dbraw/zinc/54/30/66/345543066.db2.gz OCOOUBLGCBXBFV-PWSUYJOCSA-N 0 3 199.338 2.125 10 0 AEAEHN CCC(CC)[C@@]1(O)CCN(C)C[C@H]1C 306681505 345543102 /nfs/dbraw/zinc/54/31/02/345543102.db2.gz OCOOUBLGCBXBFV-ZYHUDNBSSA-N 0 3 199.338 2.125 10 0 AEAEHN CCc1nc([C@@H](C)N)c(C)s1 306682835 345543898 /nfs/dbraw/zinc/54/38/98/345543898.db2.gz SPGXFLFJSVZYSB-RXMQYKEDSA-N 0 3 170.281 2.034 10 0 AEAEHN CCc1nc([C@H](C)N)c(C)s1 306682836 345544110 /nfs/dbraw/zinc/54/41/10/345544110.db2.gz SPGXFLFJSVZYSB-YFKPBYRVSA-N 0 3 170.281 2.034 10 0 AEAEHN CC[C@H](C)[C@H](N)C(C)(F)F 306683170 345544349 /nfs/dbraw/zinc/54/43/49/345544349.db2.gz UUTRRIBUBRNJNA-WDSKDSINSA-N 0 3 151.200 2.015 10 0 AEAEHN CC[C@@H](C)[C@H](N)C(C)(F)F 306683169 345544369 /nfs/dbraw/zinc/54/43/69/345544369.db2.gz UUTRRIBUBRNJNA-RITPCOANSA-N 0 3 151.200 2.015 10 0 AEAEHN CC[C@H](C)[C@@H](N)C(C)(F)F 306683167 345544465 /nfs/dbraw/zinc/54/44/65/345544465.db2.gz UUTRRIBUBRNJNA-NTSWFWBYSA-N 0 3 151.200 2.015 10 0 AEAEHN CC[C@@H](C)[C@@H](N)C(C)(F)F 306683168 345544696 /nfs/dbraw/zinc/54/46/96/345544696.db2.gz UUTRRIBUBRNJNA-PHDIDXHHSA-N 0 3 151.200 2.015 10 0 AEAEHN CNCc1occc1-c1ccsn1 306683513 345545267 /nfs/dbraw/zinc/54/52/67/345545267.db2.gz WBAOZMCFNPUCIQ-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN Cc1ccoc1CN1CC(C)C1 306691044 345549593 /nfs/dbraw/zinc/54/95/93/345549593.db2.gz NGCDMQCPRGPYRF-UHFFFAOYSA-N 0 3 165.236 2.040 10 0 AEAEHN C[C@H]1CC[C@](F)(c2ccco2)CN1 306697067 345553379 /nfs/dbraw/zinc/55/33/79/345553379.db2.gz YQFUTXHXWCEQLA-WCBMZHEXSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@@H]1CC[C@@](F)(c2ccco2)CN1 306697066 345553431 /nfs/dbraw/zinc/55/34/31/345553431.db2.gz YQFUTXHXWCEQLA-SCZZXKLOSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@H]1CC[C@@](F)(c2ccco2)CN1 306697068 345553465 /nfs/dbraw/zinc/55/34/65/345553465.db2.gz YQFUTXHXWCEQLA-WPRPVWTQSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@@H]1CC[C@](F)(c2ccco2)CN1 306697065 345553573 /nfs/dbraw/zinc/55/35/73/345553573.db2.gz YQFUTXHXWCEQLA-PSASIEDQSA-N 0 3 183.226 2.216 10 0 AEAEHN CC(C)(C)[C@H]1CN=C(NC2CC2)S1 306700556 345555413 /nfs/dbraw/zinc/55/54/13/345555413.db2.gz FRRBZDNQDNQVHS-MRVPVSSYSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)(C)[C@@H]1CN=C(NC2CC2)S1 306700558 345555581 /nfs/dbraw/zinc/55/55/81/345555581.db2.gz FRRBZDNQDNQVHS-QMMMGPOBSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CSC2(CC(C)(C)C2)N1 306702107 345556288 /nfs/dbraw/zinc/55/62/88/345556288.db2.gz LXRFEHRQNQPBOG-ZETCQYMHSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CSC2(CC(C)(C)C2)N1 306702106 345556308 /nfs/dbraw/zinc/55/63/08/345556308.db2.gz LXRFEHRQNQPBOG-SSDOTTSWSA-N 0 3 171.309 2.228 10 0 AEAEHN CNC1(c2ccc(F)c(F)c2)CC1 306702417 345557021 /nfs/dbraw/zinc/55/70/21/345557021.db2.gz AFYAUNCOHFTZDH-UHFFFAOYSA-N 0 3 183.201 2.173 10 0 AEAEHN Cc1csc([C@](C)(N)C2CCC2)n1 306704092 345557819 /nfs/dbraw/zinc/55/78/19/345557819.db2.gz IZZRHTNTXDOIMH-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1csc([C@@](C)(N)C2CCC2)n1 306704088 345557906 /nfs/dbraw/zinc/55/79/06/345557906.db2.gz IZZRHTNTXDOIMH-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@@H](N)c1ccc(F)cc1OC1CC1 306706158 345559665 /nfs/dbraw/zinc/55/96/65/345559665.db2.gz LLMQBKJWEQWOPL-SSDOTTSWSA-N 0 3 195.237 2.387 10 0 AEAEHN C[C@H](N)c1ccc(F)cc1OC1CC1 306706161 345559692 /nfs/dbraw/zinc/55/96/92/345559692.db2.gz LLMQBKJWEQWOPL-ZETCQYMHSA-N 0 3 195.237 2.387 10 0 AEAEHN CC[C@H](C)C[C@H]1NC[C@H](C)S1 306707028 345560454 /nfs/dbraw/zinc/56/04/54/345560454.db2.gz RDZGYZNEYPOQTH-CIUDSAMLSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H](C)C[C@@H]1NC[C@@H](C)S1 306707029 345560484 /nfs/dbraw/zinc/56/04/84/345560484.db2.gz RDZGYZNEYPOQTH-DJLDLDEBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H](C)C[C@H]1NC[C@@H](C)S1 306707032 345560546 /nfs/dbraw/zinc/56/05/46/345560546.db2.gz RDZGYZNEYPOQTH-YIZRAAEISA-N 0 3 173.325 2.474 10 0 AEAEHN CCC(C)(C)[C@H](N)c1cn(C)nc1C 306714440 345566692 /nfs/dbraw/zinc/56/66/92/345566692.db2.gz XANFPJDWULAWKJ-SNVBAGLBSA-N 0 3 195.310 2.165 10 0 AEAEHN CCN(C)Cc1ccc(C)nc1C 306714429 345566802 /nfs/dbraw/zinc/56/68/02/345566802.db2.gz WZQADQXEEKXGLS-UHFFFAOYSA-N 0 3 178.279 2.150 10 0 AEAEHN CCC(C)(C)[C@@H](N)c1cn(C)nc1C 306714438 345567019 /nfs/dbraw/zinc/56/70/19/345567019.db2.gz XANFPJDWULAWKJ-JTQLQIEISA-N 0 3 195.310 2.165 10 0 AEAEHN C[C@@H]1CN=C(NC2CC(C)(C)C2)S1 306719772 345571229 /nfs/dbraw/zinc/57/12/29/345571229.db2.gz LVFSHYNJAZETAG-SSDOTTSWSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CN=C(NC2CC(C)(C)C2)S1 306719773 345571285 /nfs/dbraw/zinc/57/12/85/345571285.db2.gz LVFSHYNJAZETAG-ZETCQYMHSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=N[C@H](C)[C@@H](C)S1 306721194 345571907 /nfs/dbraw/zinc/57/19/07/345571907.db2.gz HRVZWEXJVKYYRH-BGZDPUMWSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=N[C@@H](C)[C@H](C)S1 306721202 345572056 /nfs/dbraw/zinc/57/20/56/345572056.db2.gz HRVZWEXJVKYYRH-MAUMQABQSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=N[C@@H](C)[C@@H](C)S1 306721198 345572097 /nfs/dbraw/zinc/57/20/97/345572097.db2.gz HRVZWEXJVKYYRH-KDXUFGMBSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@@H]1C[C@@H]1NC1=N[C@H](C)[C@H](C)S1 306721206 345572217 /nfs/dbraw/zinc/57/22/17/345572217.db2.gz HRVZWEXJVKYYRH-XAVMHZPKSA-N 0 3 198.335 2.254 10 0 AEAEHN FC1(F)CCC12CN(CC1CC1)C2 306725036 345575333 /nfs/dbraw/zinc/57/53/33/345575333.db2.gz JXWNLGCLEGVXBW-UHFFFAOYSA-N 0 3 187.233 2.128 10 0 AEAEHN CC[C@@H](C)[C@@H]1CNc2ccncc2N1 306726535 345576643 /nfs/dbraw/zinc/57/66/43/345576643.db2.gz MCBBQMYWXFSXNL-SCZZXKLOSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@@H](C)[C@H]1CNc2ccncc2N1 306726534 345576708 /nfs/dbraw/zinc/57/67/08/345576708.db2.gz MCBBQMYWXFSXNL-PSASIEDQSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@H](C)[C@H]1CNc2ccncc2N1 306726536 345576884 /nfs/dbraw/zinc/57/68/84/345576884.db2.gz MCBBQMYWXFSXNL-WCBMZHEXSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@H](C)[C@@H]1CNc2ccncc2N1 306726537 345576952 /nfs/dbraw/zinc/57/69/52/345576952.db2.gz MCBBQMYWXFSXNL-WPRPVWTQSA-N 0 3 191.278 2.334 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1ccncc1Cl 306730102 345579113 /nfs/dbraw/zinc/57/91/13/345579113.db2.gz DMXORGMKXJRPTJ-XVKPBYJWSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1ccncc1Cl 306729897 345579166 /nfs/dbraw/zinc/57/91/66/345579166.db2.gz DMXORGMKXJRPTJ-GMSGAONNSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1ccncc1Cl 306730101 345579196 /nfs/dbraw/zinc/57/91/96/345579196.db2.gz DMXORGMKXJRPTJ-XCBNKYQSSA-N 0 3 196.681 2.319 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1ccncc1Cl 306730100 345579398 /nfs/dbraw/zinc/57/93/98/345579398.db2.gz DMXORGMKXJRPTJ-OIBJUYFYSA-N 0 3 196.681 2.319 10 0 AEAEHN CC(C)(F)[C@H](N)C1=CCCC1 306737569 345584043 /nfs/dbraw/zinc/58/40/43/345584043.db2.gz RLHBIOSXVGDDIZ-MRVPVSSYSA-N 0 3 157.232 2.172 10 0 AEAEHN CC(C)(F)[C@@H](N)C1=CCCC1 306737570 345584215 /nfs/dbraw/zinc/58/42/15/345584215.db2.gz RLHBIOSXVGDDIZ-QMMMGPOBSA-N 0 3 157.232 2.172 10 0 AEAEHN CCn1c(-c2cccs2)cnc1N 306738227 345585269 /nfs/dbraw/zinc/58/52/69/345585269.db2.gz ACYGGVCJZCRFPZ-UHFFFAOYSA-N 0 3 193.275 2.214 10 0 AEAEHN C[C@H](NC1=N[C@@H](C)[C@H](C)S1)C1CC1 306742844 345586683 /nfs/dbraw/zinc/58/66/83/345586683.db2.gz GJMRSIUXODGIKZ-FXQIFTODSA-N 0 3 198.335 2.254 10 0 AEAEHN Cc1cc([C@@H](F)CN)c(F)cc1F 306742856 345586744 /nfs/dbraw/zinc/58/67/44/345586744.db2.gz WHFHADBAWQWTAL-VIFPVBQESA-N 0 3 189.180 2.243 10 0 AEAEHN Cc1cc([C@H](F)CN)c(F)cc1F 306742848 345586864 /nfs/dbraw/zinc/58/68/64/345586864.db2.gz WHFHADBAWQWTAL-SECBINFHSA-N 0 3 189.180 2.243 10 0 AEAEHN C[C@@H]1N=C(N[C@H](C)C2CC2)S[C@H]1C 306742845 345586886 /nfs/dbraw/zinc/58/68/86/345586886.db2.gz GJMRSIUXODGIKZ-RNJXMRFFSA-N 0 3 198.335 2.254 10 0 AEAEHN CC(C)[C@H]1CN=C(NC2CC2)SC1 306742950 345586928 /nfs/dbraw/zinc/58/69/28/345586928.db2.gz WJIZSDSDVZYCAE-QMMMGPOBSA-N 0 3 198.335 2.113 10 0 AEAEHN CC(C)[C@@H]1CN=C(NC2CC2)SC1 306742949 345586953 /nfs/dbraw/zinc/58/69/53/345586953.db2.gz WJIZSDSDVZYCAE-MRVPVSSYSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H](NC1=N[C@@H](C)[C@@H](C)S1)C1CC1 306742843 345586997 /nfs/dbraw/zinc/58/69/97/345586997.db2.gz GJMRSIUXODGIKZ-BIIVOSGPSA-N 0 3 198.335 2.254 10 0 AEAEHN CNC1(c2nccs2)CC(C)(C)C1 306743460 345587677 /nfs/dbraw/zinc/58/76/77/345587677.db2.gz XHMLXOJMQPVXII-UHFFFAOYSA-N 0 3 196.319 2.378 10 0 AEAEHN Cc1cc(C)nc([C@H](N)C(C)C)c1 306748483 345590188 /nfs/dbraw/zinc/59/01/88/345590188.db2.gz LEHCAYYZPZLIPQ-LLVKDONJSA-N 0 3 178.279 2.354 10 0 AEAEHN Cc1cc(C)nc([C@@H](N)C(C)C)c1 306748484 345590242 /nfs/dbraw/zinc/59/02/42/345590242.db2.gz LEHCAYYZPZLIPQ-NSHDSACASA-N 0 3 178.279 2.354 10 0 AEAEHN CC[C@H]1CCC[C@@H]1NC1=NCCS1 306751719 345591509 /nfs/dbraw/zinc/59/15/09/345591509.db2.gz LJBQAJYXRPYEJW-IUCAKERBSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@@H]1CCC[C@@H]1NC1=NCCS1 306751717 345591632 /nfs/dbraw/zinc/59/16/32/345591632.db2.gz LJBQAJYXRPYEJW-BDAKNGLRSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@H]1CCC[C@H]1NC1=NCCS1 306751718 345591740 /nfs/dbraw/zinc/59/17/40/345591740.db2.gz LJBQAJYXRPYEJW-DTWKUNHWSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@@H]1CCC[C@H]1NC1=NCCS1 306751720 345591796 /nfs/dbraw/zinc/59/17/96/345591796.db2.gz LJBQAJYXRPYEJW-RKDXNWHRSA-N 0 3 198.335 2.258 10 0 AEAEHN FC1(CNc2ccncc2)CCC1 306758958 345595199 /nfs/dbraw/zinc/59/51/99/345595199.db2.gz OWAFDKGEUVLZPL-UHFFFAOYSA-N 0 3 180.226 2.386 10 0 AEAEHN CS[C@@H]1CC[C@H]1Nc1ccncc1 306767281 345601739 /nfs/dbraw/zinc/60/17/39/345601739.db2.gz XVTDQBGMZGHSAR-NXEZZACHSA-N 0 3 194.303 2.388 10 0 AEAEHN CS[C@H]1CC[C@@H]1Nc1ccncc1 306767282 345601768 /nfs/dbraw/zinc/60/17/68/345601768.db2.gz XVTDQBGMZGHSAR-UWVGGRQHSA-N 0 3 194.303 2.388 10 0 AEAEHN CS[C@H]1CC[C@H]1Nc1ccncc1 306767284 345601882 /nfs/dbraw/zinc/60/18/82/345601882.db2.gz XVTDQBGMZGHSAR-ZJUUUORDSA-N 0 3 194.303 2.388 10 0 AEAEHN CS[C@@H]1CC[C@@H]1Nc1ccncc1 306767283 345601997 /nfs/dbraw/zinc/60/19/97/345601997.db2.gz XVTDQBGMZGHSAR-VHSXEESVSA-N 0 3 194.303 2.388 10 0 AEAEHN CC1=C(c2cc(C)ns2)CNCC1 306769485 345603596 /nfs/dbraw/zinc/60/35/96/345603596.db2.gz AZGCYNXDOOULDM-UHFFFAOYSA-N 0 3 194.303 2.218 10 0 AEAEHN CN[C@H](c1cocc1C)C1CC1 306770488 345604167 /nfs/dbraw/zinc/60/41/67/345604167.db2.gz BROOVTMNDIFEPJ-JTQLQIEISA-N 0 3 165.236 2.259 10 0 AEAEHN CN[C@@H](c1cocc1C)C1CC1 306770492 345604193 /nfs/dbraw/zinc/60/41/93/345604193.db2.gz BROOVTMNDIFEPJ-SNVBAGLBSA-N 0 3 165.236 2.259 10 0 AEAEHN CC(C)[C@@H]1CN[C@@H]1c1cscn1 306772376 345605068 /nfs/dbraw/zinc/60/50/68/345605068.db2.gz DLPQDNHNZISTGH-CBAPKCEASA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)[C@H]1CN[C@H]1c1cscn1 306772395 345605123 /nfs/dbraw/zinc/60/51/23/345605123.db2.gz DLPQDNHNZISTGH-VXNVDRBHSA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)[C@H]1CN[C@@H]1c1cscn1 306772375 345605171 /nfs/dbraw/zinc/60/51/71/345605171.db2.gz DLPQDNHNZISTGH-APPZFPTMSA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)[C@@H]1CN[C@H]1c1cscn1 306772383 345605328 /nfs/dbraw/zinc/60/53/28/345605328.db2.gz DLPQDNHNZISTGH-IONNQARKSA-N 0 3 182.292 2.060 10 0 AEAEHN CCC(=O)CN1C[C@@H]2CCCC[C@H]2C1 306778928 345608157 /nfs/dbraw/zinc/60/81/57/345608157.db2.gz SNJOBTRBZOJLLU-QWRGUYRKSA-N 0 3 195.306 2.088 10 0 AEAEHN CCC(=O)CN1C[C@H]2CCCC[C@@H]2C1 306778927 345608523 /nfs/dbraw/zinc/60/85/23/345608523.db2.gz SNJOBTRBZOJLLU-GHMZBOCLSA-N 0 3 195.306 2.088 10 0 AEAEHN c1nc([C@]2(C3CC3)CCCN2)cs1 306781773 345610598 /nfs/dbraw/zinc/61/05/98/345610598.db2.gz BVNSHKMBPBYMSJ-SNVBAGLBSA-N 0 3 194.303 2.132 10 0 AEAEHN c1nc([C@@]2(C3CC3)CCCN2)cs1 306781770 345610924 /nfs/dbraw/zinc/61/09/24/345610924.db2.gz BVNSHKMBPBYMSJ-JTQLQIEISA-N 0 3 194.303 2.132 10 0 AEAEHN COc1ccc([C@H](N)[C@H]2C[C@@H]2C)s1 306784299 345611732 /nfs/dbraw/zinc/61/17/32/345611732.db2.gz RWVFJECMVGLTIH-MHYGZLNHSA-N 0 3 197.303 2.413 10 0 AEAEHN COc1ccc([C@H](N)[C@@H]2C[C@H]2C)s1 306784297 345611884 /nfs/dbraw/zinc/61/18/84/345611884.db2.gz RWVFJECMVGLTIH-BRDIYROLSA-N 0 3 197.303 2.413 10 0 AEAEHN C[C@@H]1CNC2(CC(C)(C)C2)SC1 306784137 345611953 /nfs/dbraw/zinc/61/19/53/345611953.db2.gz LVZNDTFHUSBYBM-MRVPVSSYSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CNC2(CC(C)(C)C2)SC1 306784138 345612005 /nfs/dbraw/zinc/61/20/05/345612005.db2.gz LVZNDTFHUSBYBM-QMMMGPOBSA-N 0 3 185.336 2.475 10 0 AEAEHN COc1ccc([C@H](N)[C@@H]2C[C@@H]2C)s1 306784300 345612090 /nfs/dbraw/zinc/61/20/90/345612090.db2.gz RWVFJECMVGLTIH-NYNCVSEMSA-N 0 3 197.303 2.413 10 0 AEAEHN NCc1csc(-c2ccc[nH]2)c1 306784841 345612627 /nfs/dbraw/zinc/61/26/27/345612627.db2.gz SMSLSQRIYSJNSU-UHFFFAOYSA-N 0 3 178.260 2.202 10 0 AEAEHN CC(C)C[C@H](N)c1cc(O)cc(O)c1 306789369 345615603 /nfs/dbraw/zinc/61/56/03/345615603.db2.gz XRUFFALBWQPOKZ-NSHDSACASA-N 0 3 195.262 2.144 10 0 AEAEHN CC[C@H]1CNC[C@H](C(C)(C)CC)O1 306790736 345616645 /nfs/dbraw/zinc/61/66/45/345616645.db2.gz WHKPRRWTFMZGRU-VHSXEESVSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@@H](C(C)(C)CC)O1 306790737 345616753 /nfs/dbraw/zinc/61/67/53/345616753.db2.gz WHKPRRWTFMZGRU-ZJUUUORDSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@H]1CNC[C@@H](C(C)(C)CC)O1 306790735 345616813 /nfs/dbraw/zinc/61/68/13/345616813.db2.gz WHKPRRWTFMZGRU-UWVGGRQHSA-N 0 3 185.311 2.190 10 0 AEAEHN CC[C@@H]1CNC[C@H](C(C)(C)CC)O1 306790734 345616920 /nfs/dbraw/zinc/61/69/20/345616920.db2.gz WHKPRRWTFMZGRU-NXEZZACHSA-N 0 3 185.311 2.190 10 0 AEAEHN C[C@H]1SCC[C@H]1Nc1ccncc1 306791744 345617761 /nfs/dbraw/zinc/61/77/61/345617761.db2.gz YTYMGMQRWLUTBN-PSASIEDQSA-N 0 3 194.303 2.388 10 0 AEAEHN C[C@@H]1SCC[C@@H]1Nc1ccncc1 306791747 345617767 /nfs/dbraw/zinc/61/77/67/345617767.db2.gz YTYMGMQRWLUTBN-WPRPVWTQSA-N 0 3 194.303 2.388 10 0 AEAEHN C[C@H]1SCC[C@@H]1Nc1ccncc1 306791745 345617794 /nfs/dbraw/zinc/61/77/94/345617794.db2.gz YTYMGMQRWLUTBN-SCZZXKLOSA-N 0 3 194.303 2.388 10 0 AEAEHN C[C@H]1CNC[C@@H](C2(C)CCCCC2)O1 306791983 345617815 /nfs/dbraw/zinc/61/78/15/345617815.db2.gz ZRWQLNQZHAULPY-QWRGUYRKSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1SCC[C@H]1Nc1ccncc1 306791746 345617887 /nfs/dbraw/zinc/61/78/87/345617887.db2.gz YTYMGMQRWLUTBN-WCBMZHEXSA-N 0 3 194.303 2.388 10 0 AEAEHN C[C@H]1CNC[C@H](C2(C)CCCCC2)O1 306791984 345618013 /nfs/dbraw/zinc/61/80/13/345618013.db2.gz ZRWQLNQZHAULPY-WDEREUQCSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CNC[C@@H](C2(C)CCCCC2)O1 306791982 345618207 /nfs/dbraw/zinc/61/82/07/345618207.db2.gz ZRWQLNQZHAULPY-MNOVXSKESA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CNC[C@H](C2(C)CCCCC2)O1 306791981 345618107 /nfs/dbraw/zinc/61/81/07/345618107.db2.gz ZRWQLNQZHAULPY-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN Clc1ccc(CC=C2CNC2)cc1 306794295 345619696 /nfs/dbraw/zinc/61/96/96/345619696.db2.gz SQEVECKQZBSPAW-UHFFFAOYSA-N 0 3 193.677 2.412 10 0 AEAEHN NCc1sccc1-c1cscn1 306794828 345619936 /nfs/dbraw/zinc/61/99/36/345619936.db2.gz UCLRENWXTSGLBR-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC(C)C1CN(Cc2cc[nH]c2)C1 306796113 345620576 /nfs/dbraw/zinc/62/05/76/345620576.db2.gz JEAYPCINTGMGJN-UHFFFAOYSA-N 0 3 178.279 2.103 10 0 AEAEHN CC(C)C[C@H](N)c1ccns1 306798298 345622379 /nfs/dbraw/zinc/62/23/79/345622379.db2.gz LRACYFFSDDLGDY-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN NCc1cc(F)cc(F)c1C(F)F 306799008 345622874 /nfs/dbraw/zinc/62/28/74/345622874.db2.gz DXECHIHZZXWMRP-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN NCc1sccc1-c1ccns1 306800786 345623122 /nfs/dbraw/zinc/62/31/22/345623122.db2.gz PJNRYNQMUIALKW-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC[C@@H]1SC(NC2(C)CC2)=N[C@@H]1C 306801593 345623801 /nfs/dbraw/zinc/62/38/01/345623801.db2.gz RIUJVVOSKHJJHL-SFYZADRCSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@@H]1SC(NC2(C)CC2)=N[C@H]1C 306801594 345623978 /nfs/dbraw/zinc/62/39/78/345623978.db2.gz RIUJVVOSKHJJHL-YUMQZZPRSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@H]1SC(NC2(C)CC2)=N[C@@H]1C 306801591 345624082 /nfs/dbraw/zinc/62/40/82/345624082.db2.gz RIUJVVOSKHJJHL-HTQZYQBOSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@H]1SC(NC2(C)CC2)=N[C@H]1C 306801592 345624125 /nfs/dbraw/zinc/62/41/25/345624125.db2.gz RIUJVVOSKHJJHL-JGVFFNPUSA-N 0 3 198.335 2.398 10 0 AEAEHN CC(C)C[C@H]1C[C@H]1NC1=NCCS1 306805747 345626068 /nfs/dbraw/zinc/62/60/68/345626068.db2.gz IFAGLKPPZAWORJ-DTWKUNHWSA-N 0 3 198.335 2.113 10 0 AEAEHN CC(C)C[C@@H]1C[C@H]1NC1=NCCS1 306805752 345626154 /nfs/dbraw/zinc/62/61/54/345626154.db2.gz IFAGLKPPZAWORJ-RKDXNWHRSA-N 0 3 198.335 2.113 10 0 AEAEHN CC(C)C[C@@H]1C[C@@H]1NC1=NCCS1 306805745 345626226 /nfs/dbraw/zinc/62/62/26/345626226.db2.gz IFAGLKPPZAWORJ-BDAKNGLRSA-N 0 3 198.335 2.113 10 0 AEAEHN CC(C)C[C@H]1C[C@@H]1NC1=NCCS1 306805749 345626230 /nfs/dbraw/zinc/62/62/30/345626230.db2.gz IFAGLKPPZAWORJ-IUCAKERBSA-N 0 3 198.335 2.113 10 0 AEAEHN N[C@@H](c1ccsn1)[C@H]1C[C@@H]2C[C@@H]2C1 306805873 345626236 /nfs/dbraw/zinc/62/62/36/345626236.db2.gz AXRQVHZOGPNJDC-IBCQBUCCSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@H](c1ccsn1)[C@H]1C[C@@H]2C[C@@H]2C1 306805874 345626266 /nfs/dbraw/zinc/62/62/66/345626266.db2.gz AXRQVHZOGPNJDC-ODHVRURNSA-N 0 3 194.303 2.189 10 0 AEAEHN Cc1cocc1-c1ccoc1CN 306807364 345627417 /nfs/dbraw/zinc/62/74/17/345627417.db2.gz MDTOMRLCSIDJPL-UHFFFAOYSA-N 0 3 177.203 2.307 10 0 AEAEHN c1nc([C@H]2NC[C@@H]2C2CCC2)cs1 306809394 345629138 /nfs/dbraw/zinc/62/91/38/345629138.db2.gz RVWCNAANMGRYJM-SCZZXKLOSA-N 0 3 194.303 2.204 10 0 AEAEHN c1nc([C@@H]2NC[C@@H]2C2CCC2)cs1 306809393 345629146 /nfs/dbraw/zinc/62/91/46/345629146.db2.gz RVWCNAANMGRYJM-PSASIEDQSA-N 0 3 194.303 2.204 10 0 AEAEHN c1nc([C@@H]2NC[C@H]2C2CCC2)cs1 306809395 345629249 /nfs/dbraw/zinc/62/92/49/345629249.db2.gz RVWCNAANMGRYJM-WCBMZHEXSA-N 0 3 194.303 2.204 10 0 AEAEHN c1nc([C@H]2NC[C@H]2C2CCC2)cs1 306809396 345629258 /nfs/dbraw/zinc/62/92/58/345629258.db2.gz RVWCNAANMGRYJM-WPRPVWTQSA-N 0 3 194.303 2.204 10 0 AEAEHN Cc1cocc1[C@H](N)[C@H]1CCO[C@H]1C 306811315 345630236 /nfs/dbraw/zinc/63/02/36/345630236.db2.gz WPKFOFZUDNLFQI-ATZCPNFKSA-N 0 3 195.262 2.013 10 0 AEAEHN Cc1cocc1[C@H](N)[C@@H]1CCO[C@@H]1C 306811316 345630530 /nfs/dbraw/zinc/63/05/30/345630530.db2.gz WPKFOFZUDNLFQI-FXPVBKGRSA-N 0 3 195.262 2.013 10 0 AEAEHN Cc1cocc1[C@H](N)[C@@H]1CCO[C@H]1C 306811317 345630539 /nfs/dbraw/zinc/63/05/39/345630539.db2.gz WPKFOFZUDNLFQI-IQJOONFLSA-N 0 3 195.262 2.013 10 0 AEAEHN Cc1cocc1[C@H](N)[C@H]1CCO[C@@H]1C 306811318 345630556 /nfs/dbraw/zinc/63/05/56/345630556.db2.gz WPKFOFZUDNLFQI-WCABBAIRSA-N 0 3 195.262 2.013 10 0 AEAEHN Cc1csc([C@@H](N)C2=COCC2)c1 306812633 345631118 /nfs/dbraw/zinc/63/11/18/345631118.db2.gz ZTWFQHKZXCTDQW-JTQLQIEISA-N 0 3 195.287 2.361 10 0 AEAEHN Cc1csc([C@H](N)C2=COCC2)c1 306812634 345631310 /nfs/dbraw/zinc/63/13/10/345631310.db2.gz ZTWFQHKZXCTDQW-SNVBAGLBSA-N 0 3 195.287 2.361 10 0 AEAEHN CCC1(Nc2cccc(N)n2)CC1 306813957 345631671 /nfs/dbraw/zinc/63/16/71/345631671.db2.gz ANQMPHWUXDCUOH-UHFFFAOYSA-N 0 3 177.251 2.018 10 0 AEAEHN C[C@@H]1CN=C(SC2CCCCC2)N1 306815262 345632393 /nfs/dbraw/zinc/63/23/93/345632393.db2.gz DEJUMKLZCOWCFG-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@H]1CN=C(SC2CCCCC2)N1 306815263 345632400 /nfs/dbraw/zinc/63/24/00/345632400.db2.gz DEJUMKLZCOWCFG-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN Cc1cnc([C@H]2NCC2(C)C)s1 306816121 345632761 /nfs/dbraw/zinc/63/27/61/345632761.db2.gz CZVFWXITFJADGV-SSDOTTSWSA-N 0 3 182.292 2.122 10 0 AEAEHN Cc1cnc([C@@H]2NCC2(C)C)s1 306816123 345633033 /nfs/dbraw/zinc/63/30/33/345633033.db2.gz CZVFWXITFJADGV-ZETCQYMHSA-N 0 3 182.292 2.122 10 0 AEAEHN C[C@H]1CCC[C@@]1(N)c1ccccn1 306820738 345635396 /nfs/dbraw/zinc/63/53/96/345635396.db2.gz DTZMXYAHZRJXLT-ONGXEEELSA-N 0 3 176.263 2.056 10 0 AEAEHN C[C@@H]1CCC[C@]1(N)c1ccccn1 306820736 345635488 /nfs/dbraw/zinc/63/54/88/345635488.db2.gz DTZMXYAHZRJXLT-MWLCHTKSSA-N 0 3 176.263 2.056 10 0 AEAEHN C[C@H]1CCC[C@]1(N)c1ccccn1 306820733 345635538 /nfs/dbraw/zinc/63/55/38/345635538.db2.gz DTZMXYAHZRJXLT-GXSJLCMTSA-N 0 3 176.263 2.056 10 0 AEAEHN C[C@@H]1CCC[C@@]1(N)c1ccccn1 306820735 345635758 /nfs/dbraw/zinc/63/57/58/345635758.db2.gz DTZMXYAHZRJXLT-KOLCDFICSA-N 0 3 176.263 2.056 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1ccncc1 306823944 345638762 /nfs/dbraw/zinc/63/87/62/345638762.db2.gz RWPNULVJOIKYFS-UWVGGRQHSA-N 0 3 176.263 2.064 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1ccncc1 306823942 345638824 /nfs/dbraw/zinc/63/88/24/345638824.db2.gz RWPNULVJOIKYFS-AOOOYVTPSA-N 0 3 176.263 2.064 10 0 AEAEHN CCn1cnc([C@@H]2CCC[C@@H](C)N2)c1 306825780 345639994 /nfs/dbraw/zinc/63/99/94/345639994.db2.gz YROBVMBSKHWNBP-ZJUUUORDSA-N 0 3 193.294 2.106 10 0 AEAEHN CCn1cnc([C@H]2CCC[C@@H](C)N2)c1 306825777 345640017 /nfs/dbraw/zinc/64/00/17/345640017.db2.gz YROBVMBSKHWNBP-NXEZZACHSA-N 0 3 193.294 2.106 10 0 AEAEHN Cn1cnc([C@H](N)C2(C)CCCC2)c1 306825833 345640082 /nfs/dbraw/zinc/64/00/82/345640082.db2.gz YAMMAASDGIXBTE-JTQLQIEISA-N 0 3 193.294 2.000 10 0 AEAEHN CCn1cnc([C@H]2CCC[C@H](C)N2)c1 306825779 345640154 /nfs/dbraw/zinc/64/01/54/345640154.db2.gz YROBVMBSKHWNBP-VHSXEESVSA-N 0 3 193.294 2.106 10 0 AEAEHN Cn1cnc([C@@H](N)C2(C)CCCC2)c1 306825834 345640193 /nfs/dbraw/zinc/64/01/93/345640193.db2.gz YAMMAASDGIXBTE-SNVBAGLBSA-N 0 3 193.294 2.000 10 0 AEAEHN CCn1cnc([C@@H]2CCC[C@H](C)N2)c1 306825778 345640331 /nfs/dbraw/zinc/64/03/31/345640331.db2.gz YROBVMBSKHWNBP-UWVGGRQHSA-N 0 3 193.294 2.106 10 0 AEAEHN Cc1cc([C@H](N)C(C)C)sn1 306829130 345643224 /nfs/dbraw/zinc/64/32/24/345643224.db2.gz HAEHDRBMGSUEQX-MRVPVSSYSA-N 0 3 170.281 2.107 10 0 AEAEHN CC(C)[C@@H](N)c1ccc2c(n1)CCC2 306830250 345644161 /nfs/dbraw/zinc/64/41/61/345644161.db2.gz IYHCNWBCMHYRDK-GFCCVEGCSA-N 0 3 190.290 2.226 10 0 AEAEHN CC(C)[C@H](N)c1ccc2c(n1)CCC2 306830252 345644206 /nfs/dbraw/zinc/64/42/06/345644206.db2.gz IYHCNWBCMHYRDK-LBPRGKRZSA-N 0 3 190.290 2.226 10 0 AEAEHN CCC(C)(C)[C@@H]1CN[C@@H](C)[C@@H](C)O1 306833221 345645778 /nfs/dbraw/zinc/64/57/78/345645778.db2.gz POKVSUHVLQGQRO-AEJSXWLSSA-N 0 3 185.311 2.188 10 0 AEAEHN CCC(C)(C)[C@@H]1CN[C@H](C)[C@H](C)O1 306833224 345645758 /nfs/dbraw/zinc/64/57/58/345645758.db2.gz POKVSUHVLQGQRO-UTLUCORTSA-N 0 3 185.311 2.188 10 0 AEAEHN CCC(C)(C)[C@@H]1CN[C@@H](C)[C@H](C)O1 306833223 345645766 /nfs/dbraw/zinc/64/57/66/345645766.db2.gz POKVSUHVLQGQRO-GUBZILKMSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@@H]1CS[C@H](CCC2CC2)N1 306837255 345648123 /nfs/dbraw/zinc/64/81/23/345648123.db2.gz VRDPEILNIHOPQF-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CS[C@@H](CCC2CC2)N1 306837252 345648151 /nfs/dbraw/zinc/64/81/51/345648151.db2.gz VRDPEILNIHOPQF-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CS[C@@H](CCC2CC2)N1 306837253 345648162 /nfs/dbraw/zinc/64/81/62/345648162.db2.gz VRDPEILNIHOPQF-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CS[C@H](CCC2CC2)N1 306837254 345648422 /nfs/dbraw/zinc/64/84/22/345648422.db2.gz VRDPEILNIHOPQF-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@@H]1N=C(NC2CCC2)S[C@@H]1C 306842377 345651539 /nfs/dbraw/zinc/65/15/39/345651539.db2.gz BYSLIHAXLOVDOM-APPZFPTMSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@@H]1N=C(NC2CCC2)S[C@H]1C 306842383 345651922 /nfs/dbraw/zinc/65/19/22/345651922.db2.gz BYSLIHAXLOVDOM-CBAPKCEASA-N 0 3 198.335 2.398 10 0 AEAEHN Cc1cocc1[C@@H](N)C1(C)CC1 306846725 345654044 /nfs/dbraw/zinc/65/40/44/345654044.db2.gz IVFGQPLVJMSPAR-SECBINFHSA-N 0 3 165.236 2.388 10 0 AEAEHN Cc1cocc1[C@H](N)C1(C)CC1 306846726 345654018 /nfs/dbraw/zinc/65/40/18/345654018.db2.gz IVFGQPLVJMSPAR-VIFPVBQESA-N 0 3 165.236 2.388 10 0 AEAEHN N[C@]1(C(F)F)CC2CCC1CC2 306847906 345654877 /nfs/dbraw/zinc/65/48/77/345654877.db2.gz LVFRKNITNZYJKK-QXUHLLMWSA-N 0 3 175.222 2.159 10 0 AEAEHN N[C@@]1(C(F)F)CC2CCC1CC2 306847905 345654946 /nfs/dbraw/zinc/65/49/46/345654946.db2.gz LVFRKNITNZYJKK-IEIXJENWSA-N 0 3 175.222 2.159 10 0 AEAEHN CN([C@@H]1CCCCC1=O)C(C)(C)C 306848089 345655280 /nfs/dbraw/zinc/65/52/80/345655280.db2.gz MCILPNIMZLCIJP-SECBINFHSA-N 0 3 183.295 2.228 10 0 AEAEHN CN([C@H]1CCCCC1=O)C(C)(C)C 306848090 345655334 /nfs/dbraw/zinc/65/53/34/345655334.db2.gz MCILPNIMZLCIJP-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CC1(C)C[C@@H]1[C@]1(C)NCCCS1 306851337 345657309 /nfs/dbraw/zinc/65/73/09/345657309.db2.gz QGJARXXHZYNTAP-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN CC1(C)C[C@H]1[C@]1(C)NCCCS1 306851335 345657352 /nfs/dbraw/zinc/65/73/52/345657352.db2.gz QGJARXXHZYNTAP-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN CC1(C)C[C@@H]1[C@@]1(C)NCCCS1 306851338 345657367 /nfs/dbraw/zinc/65/73/67/345657367.db2.gz QGJARXXHZYNTAP-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN Cc1nc(N)n(C)c1-c1ccsc1 306850598 345657388 /nfs/dbraw/zinc/65/73/88/345657388.db2.gz PNFUHXBFKWAPFK-UHFFFAOYSA-N 0 3 193.275 2.039 10 0 AEAEHN CC1(C)C[C@H]1[C@@]1(C)NCCCS1 306851336 345657414 /nfs/dbraw/zinc/65/74/14/345657414.db2.gz QGJARXXHZYNTAP-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN N[C@H](c1ccsn1)[C@@H]1[C@H]2CCC[C@H]21 306851423 345657825 /nfs/dbraw/zinc/65/78/25/345657825.db2.gz QLHVVIYTPOLROT-GOZTYBTRSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1ccsn1)[C@@H]1[C@H]2CCC[C@H]21 306851425 345657999 /nfs/dbraw/zinc/65/79/99/345657999.db2.gz QLHVVIYTPOLROT-WDQPUEAGSA-N 0 3 194.303 2.189 10 0 AEAEHN NCc1csc(-c2cccnc2)c1 306853643 345658620 /nfs/dbraw/zinc/65/86/20/345658620.db2.gz ULTAVXPMGMHYQP-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN CC(C)(C)C[C@]1(C)NCCS1 306857087 345660794 /nfs/dbraw/zinc/66/07/94/345660794.db2.gz XUSKSPQYWBRTMO-SECBINFHSA-N 0 3 173.325 2.475 10 0 AEAEHN CC(C)(C)C[C@@]1(C)NCCS1 306857088 345660965 /nfs/dbraw/zinc/66/09/65/345660965.db2.gz XUSKSPQYWBRTMO-VIFPVBQESA-N 0 3 173.325 2.475 10 0 AEAEHN Cc1ccc([C@@H](N)C2=COCC2)cc1 306860214 345663396 /nfs/dbraw/zinc/66/33/96/345663396.db2.gz FUQSTJWLWZNMBK-GFCCVEGCSA-N 0 3 189.258 2.299 10 0 AEAEHN Cc1ccc([C@H](N)C2=COCC2)cc1 306860216 345663527 /nfs/dbraw/zinc/66/35/27/345663527.db2.gz FUQSTJWLWZNMBK-LBPRGKRZSA-N 0 3 189.258 2.299 10 0 AEAEHN CC(C)=C[C@]1(F)CCCN[C@H]1C 306860736 345664005 /nfs/dbraw/zinc/66/40/05/345664005.db2.gz GHMWKUVJUDNLER-VHSXEESVSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@@]1(F)CCCN[C@@H]1C 306860737 345664165 /nfs/dbraw/zinc/66/41/65/345664165.db2.gz GHMWKUVJUDNLER-ZJUUUORDSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@]1(F)CCCN[C@@H]1C 306860734 345664190 /nfs/dbraw/zinc/66/41/90/345664190.db2.gz GHMWKUVJUDNLER-NXEZZACHSA-N 0 3 171.259 2.433 10 0 AEAEHN CC[C@@H]1SC(NC2CCC2)=N[C@H]1C 306861078 345664420 /nfs/dbraw/zinc/66/44/20/345664420.db2.gz FDQIJJMJYBZSEG-CBAPKCEASA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@@H]1SC(NC2CCC2)=N[C@@H]1C 306861077 345664600 /nfs/dbraw/zinc/66/46/00/345664600.db2.gz FDQIJJMJYBZSEG-APPZFPTMSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@H]1SC(NC2CCC2)=N[C@H]1C 306861079 345664699 /nfs/dbraw/zinc/66/46/99/345664699.db2.gz FDQIJJMJYBZSEG-IONNQARKSA-N 0 3 198.335 2.398 10 0 AEAEHN CC(C)C[C@@H](N)c1cccnc1F 306864719 345666938 /nfs/dbraw/zinc/66/69/38/345666938.db2.gz LAXNGZYOEGMYJC-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN Cc1cc([C@H](N)[C@@H]2CC2(C)C)sn1 306870589 345670069 /nfs/dbraw/zinc/67/00/69/345670069.db2.gz TUWDBHRKWDQTOF-IONNQARKSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1cc([C@H](N)[C@H]2CC2(C)C)sn1 306870590 345670223 /nfs/dbraw/zinc/67/02/23/345670223.db2.gz TUWDBHRKWDQTOF-VXNVDRBHSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1cc([C@@H](N)[C@@H]2CC2(C)C)sn1 306870588 345670273 /nfs/dbraw/zinc/67/02/73/345670273.db2.gz TUWDBHRKWDQTOF-CBAPKCEASA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1cc([C@@H](N)[C@H]2CC2(C)C)sn1 306870587 345670277 /nfs/dbraw/zinc/67/02/77/345670277.db2.gz TUWDBHRKWDQTOF-APPZFPTMSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1cc(F)c(C(C)(C)N)c(F)c1 306874257 345672579 /nfs/dbraw/zinc/67/25/79/345672579.db2.gz ZLHRUBZMISIIAC-UHFFFAOYSA-N 0 3 185.217 2.467 10 0 AEAEHN CCC(N)(CC)c1ccns1 306876197 345673756 /nfs/dbraw/zinc/67/37/56/345673756.db2.gz CSLNTXAODPITAA-UHFFFAOYSA-N 0 3 170.281 2.117 10 0 AEAEHN CC1(C[C@H](N)c2csnn2)CCC1 306878433 345674844 /nfs/dbraw/zinc/67/48/44/345674844.db2.gz FGTPPAVNUZZNKV-ZETCQYMHSA-N 0 3 197.307 2.118 10 0 AEAEHN CC1(C[C@@H](N)c2csnn2)CCC1 306878432 345674962 /nfs/dbraw/zinc/67/49/62/345674962.db2.gz FGTPPAVNUZZNKV-SSDOTTSWSA-N 0 3 197.307 2.118 10 0 AEAEHN CC[C@@]1(C)CN[C@H]1c1ccco1 306880799 345676721 /nfs/dbraw/zinc/67/67/21/345676721.db2.gz GJXRDGLHEWUDMW-UWVGGRQHSA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@]1(C)CN[C@H]1c1ccco1 306880800 345676937 /nfs/dbraw/zinc/67/69/37/345676937.db2.gz GJXRDGLHEWUDMW-VHSXEESVSA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@@]1(C)CN[C@@H]1c1ccco1 306880801 345676978 /nfs/dbraw/zinc/67/69/78/345676978.db2.gz GJXRDGLHEWUDMW-ZJUUUORDSA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@]1(C)CN[C@@H]1c1ccco1 306880798 345677202 /nfs/dbraw/zinc/67/72/02/345677202.db2.gz GJXRDGLHEWUDMW-NXEZZACHSA-N 0 3 165.236 2.340 10 0 AEAEHN CCNC1=N[C@@](C)(C(C)C)CS1 306882837 345679719 /nfs/dbraw/zinc/67/97/19/345679719.db2.gz JIKYVJBQIGZDJS-SECBINFHSA-N 0 3 186.324 2.113 10 0 AEAEHN CCNC1=N[C@](C)(C(C)C)CS1 306882838 345679852 /nfs/dbraw/zinc/67/98/52/345679852.db2.gz JIKYVJBQIGZDJS-VIFPVBQESA-N 0 3 186.324 2.113 10 0 AEAEHN C[C@H]1C[C@@H](NC2=N[C@H](C)CS2)[C@@H]1C 306886525 345682481 /nfs/dbraw/zinc/68/24/81/345682481.db2.gz SNIZEAREAYGJAF-JQCXWYLXSA-N 0 3 198.335 2.112 10 0 AEAEHN Cc1cc(F)c([C@@H](F)CN)c(F)c1 306885964 345682526 /nfs/dbraw/zinc/68/25/26/345682526.db2.gz ONUBGTITFSMDBZ-QMMMGPOBSA-N 0 3 189.180 2.243 10 0 AEAEHN C[C@H]1C[C@@H](NC2=N[C@H](C)CS2)[C@H]1C 306886529 345682607 /nfs/dbraw/zinc/68/26/07/345682607.db2.gz SNIZEAREAYGJAF-UYXSQOIJSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@@H]1CSC(N[C@@H]2C[C@@H](C)[C@H]2C)=N1 306886388 345682724 /nfs/dbraw/zinc/68/27/24/345682724.db2.gz SNIZEAREAYGJAF-FNCVBFRFSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@@H]1CNC[C@H]([C@H](C)C(C)(C)C)O1 306888289 345684520 /nfs/dbraw/zinc/68/45/20/345684520.db2.gz VRQHKVFDCZXFBO-KXUCPTDWSA-N 0 3 185.311 2.046 10 0 AEAEHN C[C@H]([C@H]1CNC[C@@H](C)O1)C(C)(C)C 306888295 345684567 /nfs/dbraw/zinc/68/45/67/345684567.db2.gz VRQHKVFDCZXFBO-OPRDCNLKSA-N 0 3 185.311 2.046 10 0 AEAEHN C[C@@H]1CNC[C@@H]([C@H](C)C(C)(C)C)O1 306888301 345684655 /nfs/dbraw/zinc/68/46/55/345684655.db2.gz VRQHKVFDCZXFBO-UTLUCORTSA-N 0 3 185.311 2.046 10 0 AEAEHN C[C@H]([C@@H]1CNC[C@@H](C)O1)C(C)(C)C 306888285 345684745 /nfs/dbraw/zinc/68/47/45/345684745.db2.gz VRQHKVFDCZXFBO-BBBLOLIVSA-N 0 3 185.311 2.046 10 0 AEAEHN NCc1cc(-c2ccns2)cs1 306895175 345689453 /nfs/dbraw/zinc/68/94/53/345689453.db2.gz ZWBFSKUUNBCTKY-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN Cc1ccc([C@H]2NC[C@@H]2C2CC2)o1 306896739 345689705 /nfs/dbraw/zinc/68/97/05/345689705.db2.gz QOYUIOJLVVIJBP-KOLCDFICSA-N 0 3 177.247 2.259 10 0 AEAEHN Cc1ccc([C@@H]2NC[C@H]2C2CC2)o1 306896738 345689845 /nfs/dbraw/zinc/68/98/45/345689845.db2.gz QOYUIOJLVVIJBP-GXSJLCMTSA-N 0 3 177.247 2.259 10 0 AEAEHN Cc1ccc([C@H]2NC[C@H]2C2CC2)o1 306896741 345689900 /nfs/dbraw/zinc/68/99/00/345689900.db2.gz QOYUIOJLVVIJBP-ONGXEEELSA-N 0 3 177.247 2.259 10 0 AEAEHN Cc1ccc([C@@H]2NC[C@@H]2C2CC2)o1 306896740 345689949 /nfs/dbraw/zinc/68/99/49/345689949.db2.gz QOYUIOJLVVIJBP-MWLCHTKSSA-N 0 3 177.247 2.259 10 0 AEAEHN CC[C@]1(C)C[C@H]1NC1=NCCCS1 306897941 345690193 /nfs/dbraw/zinc/69/01/93/345690193.db2.gz VPKWPTFEFDRLLK-PSASIEDQSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@]1(C)C[C@@H]1NC1=NCCCS1 306897943 345690448 /nfs/dbraw/zinc/69/04/48/345690448.db2.gz VPKWPTFEFDRLLK-WCBMZHEXSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@@]1(C)C[C@@H]1NC1=NCCCS1 306897944 345690463 /nfs/dbraw/zinc/69/04/63/345690463.db2.gz VPKWPTFEFDRLLK-WPRPVWTQSA-N 0 3 198.335 2.258 10 0 AEAEHN CC[C@H]1CNc2ccncc2S1 306905856 345693501 /nfs/dbraw/zinc/69/35/01/345693501.db2.gz LRSZKOLVFHYQJR-ZETCQYMHSA-N 0 3 180.276 2.378 10 0 AEAEHN CC[C@@H]1CNc2ccncc2S1 306905855 345693858 /nfs/dbraw/zinc/69/38/58/345693858.db2.gz LRSZKOLVFHYQJR-SSDOTTSWSA-N 0 3 180.276 2.378 10 0 AEAEHN CC(C)=C[C@@]1(F)CC[C@H](C)NC1 306914657 345696517 /nfs/dbraw/zinc/69/65/17/345696517.db2.gz VCPBQJRPKBMRJE-UWVGGRQHSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@]1(F)CC[C@@H](C)NC1 306914656 345696522 /nfs/dbraw/zinc/69/65/22/345696522.db2.gz VCPBQJRPKBMRJE-NXEZZACHSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@]1(F)CC[C@H](C)NC1 306914658 345696537 /nfs/dbraw/zinc/69/65/37/345696537.db2.gz VCPBQJRPKBMRJE-VHSXEESVSA-N 0 3 171.259 2.433 10 0 AEAEHN CC(C)=C[C@@]1(F)CC[C@@H](C)NC1 306914659 345696647 /nfs/dbraw/zinc/69/66/47/345696647.db2.gz VCPBQJRPKBMRJE-ZJUUUORDSA-N 0 3 171.259 2.433 10 0 AEAEHN C[C@H]1C[C@H](Nc2ccncc2)CS1 306916953 345697283 /nfs/dbraw/zinc/69/72/83/345697283.db2.gz XMXSHDKATJAXHH-WPRPVWTQSA-N 0 3 194.303 2.388 10 0 AEAEHN C[C@@H]1C[C@@H](Nc2ccncc2)CS1 306916950 345697371 /nfs/dbraw/zinc/69/73/71/345697371.db2.gz XMXSHDKATJAXHH-PSASIEDQSA-N 0 3 194.303 2.388 10 0 AEAEHN C[C@H]1C[C@@H](Nc2ccncc2)CS1 306916952 345697411 /nfs/dbraw/zinc/69/74/11/345697411.db2.gz XMXSHDKATJAXHH-WCBMZHEXSA-N 0 3 194.303 2.388 10 0 AEAEHN C[C@@H]1C[C@H](Nc2ccncc2)CS1 306916951 345697624 /nfs/dbraw/zinc/69/76/24/345697624.db2.gz XMXSHDKATJAXHH-SCZZXKLOSA-N 0 3 194.303 2.388 10 0 AEAEHN Cc1cc([C@@H]2CSCCN2)cs1 306918668 345697870 /nfs/dbraw/zinc/69/78/70/345697870.db2.gz CGWNOZMACYMJLM-VIFPVBQESA-N 0 3 199.344 2.434 10 0 AEAEHN Cc1cc([C@H]2CSCCN2)cs1 306918666 345697933 /nfs/dbraw/zinc/69/79/33/345697933.db2.gz CGWNOZMACYMJLM-SECBINFHSA-N 0 3 199.344 2.434 10 0 AEAEHN NCc1cncc(C2=CCCCC2)c1 306922308 345699617 /nfs/dbraw/zinc/69/96/17/345699617.db2.gz UZEZQQJIFZUKPD-UHFFFAOYSA-N 0 3 188.274 2.498 10 0 AEAEHN CC(C)CNC1=N[C@H](C)[C@H](C)S1 307027048 345763672 /nfs/dbraw/zinc/76/36/72/345763672.db2.gz ZIARABFFZIHUJE-SFYZADRCSA-N 0 3 186.324 2.112 10 0 AEAEHN CC1=CCCN(c2ccncc2)C1 306925074 345701457 /nfs/dbraw/zinc/70/14/57/345701457.db2.gz LGGVZVVLSMCLEG-UHFFFAOYSA-N 0 3 174.247 2.238 10 0 AEAEHN CC1(C)CCN1Cc1cccnc1 306928175 345703289 /nfs/dbraw/zinc/70/32/89/345703289.db2.gz XCEZWCQACBDHHK-UHFFFAOYSA-N 0 3 176.263 2.066 10 0 AEAEHN c1cc(N2CCCSCC2)ccn1 306927674 345703318 /nfs/dbraw/zinc/70/33/18/345703318.db2.gz VCUBLNQROKMQGI-UHFFFAOYSA-N 0 3 194.303 2.025 10 0 AEAEHN C[C@@H]1NC[C@@H](c2cccs2)O[C@H]1C 306929336 345703952 /nfs/dbraw/zinc/70/39/52/345703952.db2.gz BOIZBXMAFDRMMS-CIUDSAMLSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@H](c2cccs2)O[C@@H]1C 306929337 345703954 /nfs/dbraw/zinc/70/39/54/345703954.db2.gz BOIZBXMAFDRMMS-DJLDLDEBSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@H](c2cccs2)O[C@H]1C 306929338 345703984 /nfs/dbraw/zinc/70/39/84/345703984.db2.gz BOIZBXMAFDRMMS-XHNCKOQMSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@@H](c2cccs2)O[C@@H]1C 306929339 345704062 /nfs/dbraw/zinc/70/40/62/345704062.db2.gz BOIZBXMAFDRMMS-YIZRAAEISA-N 0 3 197.303 2.186 10 0 AEAEHN CCN[C@@H](C)c1cocc1C 306932345 345705249 /nfs/dbraw/zinc/70/52/49/345705249.db2.gz DQFPBYUDILQVHO-QMMMGPOBSA-N 0 3 153.225 2.259 10 0 AEAEHN CCN[C@H](C)c1cocc1C 306932343 345705542 /nfs/dbraw/zinc/70/55/42/345705542.db2.gz DQFPBYUDILQVHO-MRVPVSSYSA-N 0 3 153.225 2.259 10 0 AEAEHN CC[C@@H]1N=C(NC(C)C)S[C@@H]1C 306936571 345707244 /nfs/dbraw/zinc/70/72/44/345707244.db2.gz FFEAEKWBJHUNLR-SFYZADRCSA-N 0 3 186.324 2.254 10 0 AEAEHN CC[C@@H]1N=C(NC(C)C)S[C@H]1C 306936572 345707274 /nfs/dbraw/zinc/70/72/74/345707274.db2.gz FFEAEKWBJHUNLR-YUMQZZPRSA-N 0 3 186.324 2.254 10 0 AEAEHN C[C@@](F)([C@@H]1CCCCN1)C(F)(F)F 306947472 345713271 /nfs/dbraw/zinc/71/32/71/345713271.db2.gz PRWCSIVWXIOINI-NKWVEPMBSA-N 0 3 199.191 2.419 10 0 AEAEHN C[C@@](F)([C@H]1CCCCN1)C(F)(F)F 306947473 345713317 /nfs/dbraw/zinc/71/33/17/345713317.db2.gz PRWCSIVWXIOINI-RNFRBKRXSA-N 0 3 199.191 2.419 10 0 AEAEHN C[C@](F)([C@@H]1CCCCN1)C(F)(F)F 306947471 345713480 /nfs/dbraw/zinc/71/34/80/345713480.db2.gz PRWCSIVWXIOINI-BQBZGAKWSA-N 0 3 199.191 2.419 10 0 AEAEHN c1cc(N[C@@H]2CC[C@@H]3C[C@@H]32)ccn1 306961769 345720478 /nfs/dbraw/zinc/72/04/78/345720478.db2.gz JJUGAEOIHICDCG-DVVUODLYSA-N 0 3 174.247 2.292 10 0 AEAEHN c1cc(N[C@@H]2CC[C@H]3C[C@H]32)ccn1 306961775 345720510 /nfs/dbraw/zinc/72/05/10/345720510.db2.gz JJUGAEOIHICDCG-JMJZKYOTSA-N 0 3 174.247 2.292 10 0 AEAEHN C[C@H]1CN=C(N[C@@H]2CCC2(C)C)S1 306963468 345721754 /nfs/dbraw/zinc/72/17/54/345721754.db2.gz CQUTYSHLUZAVKG-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CN=C(N[C@H]2CCC2(C)C)S1 306963469 345721825 /nfs/dbraw/zinc/72/18/25/345721825.db2.gz CQUTYSHLUZAVKG-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CN=C(N[C@@H]2CCC2(C)C)S1 306963467 345721840 /nfs/dbraw/zinc/72/18/40/345721840.db2.gz CQUTYSHLUZAVKG-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CN=C(N[C@H]2CCC2(C)C)S1 306963470 345721874 /nfs/dbraw/zinc/72/18/74/345721874.db2.gz CQUTYSHLUZAVKG-YUMQZZPRSA-N 0 3 198.335 2.256 10 0 AEAEHN N[C@@H](c1cscn1)[C@H]1C[C@@H]2C[C@@H]2C1 306964592 345722865 /nfs/dbraw/zinc/72/28/65/345722865.db2.gz MKFGKVVIWHKCEK-IBCQBUCCSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@H](c1cscn1)[C@H]1C[C@@H]2C[C@@H]2C1 306964593 345722927 /nfs/dbraw/zinc/72/29/27/345722927.db2.gz MKFGKVVIWHKCEK-ODHVRURNSA-N 0 3 194.303 2.189 10 0 AEAEHN C[C@@H]1CSC(NC2CC(C)(C)C2)=N1 306967941 345724163 /nfs/dbraw/zinc/72/41/63/345724163.db2.gz HCDONKIMBWYIOU-SSDOTTSWSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@H]1CSC(NC2CC(C)(C)C2)=N1 306967942 345724170 /nfs/dbraw/zinc/72/41/70/345724170.db2.gz HCDONKIMBWYIOU-ZETCQYMHSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@]1([C@H](N)c2ccsc2)C[C@H]1F 306967694 345724273 /nfs/dbraw/zinc/72/42/73/345724273.db2.gz NKBXHCAPLKQATO-HLTSFMKQSA-N 0 3 185.267 2.496 10 0 AEAEHN C[C@]1([C@@H](N)c2ccsc2)C[C@H]1F 306967696 345724383 /nfs/dbraw/zinc/72/43/83/345724383.db2.gz NKBXHCAPLKQATO-VGMNWLOBSA-N 0 3 185.267 2.496 10 0 AEAEHN C[C@]1([C@@H](N)c2ccsc2)C[C@@H]1F 306967692 345724386 /nfs/dbraw/zinc/72/43/86/345724386.db2.gz NKBXHCAPLKQATO-CIUDSAMLSA-N 0 3 185.267 2.496 10 0 AEAEHN C[C@]1([C@H](N)c2ccsc2)C[C@@H]1F 306967698 345724389 /nfs/dbraw/zinc/72/43/89/345724389.db2.gz NKBXHCAPLKQATO-YIZRAAEISA-N 0 3 185.267 2.496 10 0 AEAEHN Cn1ccnc1N[C@H]1CC12CCCC2 306976316 345729458 /nfs/dbraw/zinc/72/94/58/345729458.db2.gz AIEGMIVXZIKLPA-VIFPVBQESA-N 0 3 191.278 2.165 10 0 AEAEHN NCc1csc(-c2ccncc2)c1 306980500 345731783 /nfs/dbraw/zinc/73/17/83/345731783.db2.gz PQPFPVFJDXYFKK-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN F[C@@H](c1ccc[nH]1)[C@H]1CCCCN1 306981215 345732336 /nfs/dbraw/zinc/73/23/36/345732336.db2.gz HOAFKNHZIINAKK-PSASIEDQSA-N 0 3 182.242 2.167 10 0 AEAEHN F[C@@H](c1ccc[nH]1)[C@@H]1CCCCN1 306981217 345732478 /nfs/dbraw/zinc/73/24/78/345732478.db2.gz HOAFKNHZIINAKK-WCBMZHEXSA-N 0 3 182.242 2.167 10 0 AEAEHN F[C@H](c1ccc[nH]1)[C@@H]1CCCCN1 306981218 345732484 /nfs/dbraw/zinc/73/24/84/345732484.db2.gz HOAFKNHZIINAKK-WPRPVWTQSA-N 0 3 182.242 2.167 10 0 AEAEHN F[C@H](c1ccc[nH]1)[C@H]1CCCCN1 306981216 345732526 /nfs/dbraw/zinc/73/25/26/345732526.db2.gz HOAFKNHZIINAKK-SCZZXKLOSA-N 0 3 182.242 2.167 10 0 AEAEHN N[C@@H](c1ccns1)[C@H]1C[C@@H]2C[C@@H]2C1 306984711 345734863 /nfs/dbraw/zinc/73/48/63/345734863.db2.gz VOLWMUVVJCCXRW-IBCQBUCCSA-N 0 3 194.303 2.189 10 0 AEAEHN Cc1ccc([C@@H](N)c2ccc[nH]2)s1 306990457 345737587 /nfs/dbraw/zinc/73/75/87/345737587.db2.gz IWXYHKKFJLUGHK-JTQLQIEISA-N 0 3 192.287 2.433 10 0 AEAEHN Cc1ccc([C@H](N)c2ccc[nH]2)s1 306990458 345737611 /nfs/dbraw/zinc/73/76/11/345737611.db2.gz IWXYHKKFJLUGHK-SNVBAGLBSA-N 0 3 192.287 2.433 10 0 AEAEHN Cc1cc([C@@H]2CN[C@@H](C)CO2)cs1 306990599 345737618 /nfs/dbraw/zinc/73/76/18/345737618.db2.gz JGFYFFURALBRQO-XVKPBYJWSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1cc([C@@H]2CN[C@H](C)CO2)cs1 306990598 345737765 /nfs/dbraw/zinc/73/77/65/345737765.db2.gz JGFYFFURALBRQO-XCBNKYQSSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1cc([C@H]2CN[C@H](C)CO2)cs1 306990596 345737863 /nfs/dbraw/zinc/73/78/63/345737863.db2.gz JGFYFFURALBRQO-GMSGAONNSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1cc([C@H]2CN[C@@H](C)CO2)cs1 306990597 345737924 /nfs/dbraw/zinc/73/79/24/345737924.db2.gz JGFYFFURALBRQO-OIBJUYFYSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1cc(-n2ccnc2C)cc(C)n1 306992029 345738705 /nfs/dbraw/zinc/73/87/05/345738705.db2.gz KVHLUGBKXQMGNA-UHFFFAOYSA-N 0 3 187.246 2.193 10 0 AEAEHN CCC(C)(C)[C@@H]1N[C@H](C)CS1 306999910 345743132 /nfs/dbraw/zinc/74/31/32/345743132.db2.gz APEOETVMLQHWEN-HTQZYQBOSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC(C)(C)[C@H]1N[C@@H](C)CS1 306999922 345743140 /nfs/dbraw/zinc/74/31/40/345743140.db2.gz APEOETVMLQHWEN-YUMQZZPRSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC(C)(C)[C@@H]1N[C@@H](C)CS1 306999914 345743199 /nfs/dbraw/zinc/74/31/99/345743199.db2.gz APEOETVMLQHWEN-JGVFFNPUSA-N 0 3 173.325 2.474 10 0 AEAEHN CCC(C)(C)[C@H]1N[C@H](C)CS1 306999918 345743448 /nfs/dbraw/zinc/74/34/48/345743448.db2.gz APEOETVMLQHWEN-SFYZADRCSA-N 0 3 173.325 2.474 10 0 AEAEHN CNCc1cnc(NC(C)(C)C)s1 307004040 345746344 /nfs/dbraw/zinc/74/63/44/345746344.db2.gz DOEFFLUVQPEIPQ-UHFFFAOYSA-N 0 3 199.323 2.073 10 0 AEAEHN Cc1ccnc(CNC2CCCC2)c1 307004900 345746893 /nfs/dbraw/zinc/74/68/93/345746893.db2.gz DZHUTZXVNLZORS-UHFFFAOYSA-N 0 3 190.290 2.422 10 0 AEAEHN CC1=CCN(Cc2ccc[nH]2)CC1 307007026 345747778 /nfs/dbraw/zinc/74/77/78/345747778.db2.gz GKXNDUAWVZUNJY-UHFFFAOYSA-N 0 3 176.263 2.167 10 0 AEAEHN CCN(C)Cc1cnc(Cl)c(C)c1 307008359 345748918 /nfs/dbraw/zinc/74/89/18/345748918.db2.gz HGYVQGMICUMFGS-UHFFFAOYSA-N 0 3 198.697 2.495 10 0 AEAEHN CC[C@@H]1N=C(NC2CC2)S[C@@H]1C 307009484 345749479 /nfs/dbraw/zinc/74/94/79/345749479.db2.gz NDWURGCBAUPAEA-SVRRBLITSA-N 0 3 184.308 2.008 10 0 AEAEHN CC[C@@H]1N=C(NC2CC2)S[C@H]1C 307009485 345749508 /nfs/dbraw/zinc/74/95/08/345749508.db2.gz NDWURGCBAUPAEA-XPUUQOCRSA-N 0 3 184.308 2.008 10 0 AEAEHN Cc1nc([C@@]2(N)CC[C@H](C)C2)cs1 307012479 345751672 /nfs/dbraw/zinc/75/16/72/345751672.db2.gz QAUUPSJLVURVNH-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1nc([C@]2(N)CC[C@@H](C)C2)cs1 307012480 345751744 /nfs/dbraw/zinc/75/17/44/345751744.db2.gz QAUUPSJLVURVNH-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1nc([C@@]2(N)CC[C@@H](C)C2)cs1 307012478 345751787 /nfs/dbraw/zinc/75/17/87/345751787.db2.gz QAUUPSJLVURVNH-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1nc([C@]2(N)CC[C@H](C)C2)cs1 307012481 345751803 /nfs/dbraw/zinc/75/18/03/345751803.db2.gz QAUUPSJLVURVNH-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN C1CCC2(C1)CCC[C@@H]2NC1COC1 307012513 345752231 /nfs/dbraw/zinc/75/22/31/345752231.db2.gz KXAHQWQFLWLAPZ-NSHDSACASA-N 0 3 195.306 2.088 10 0 AEAEHN CCC1(NC2=NCCCS2)CC1 307012707 345752246 /nfs/dbraw/zinc/75/22/46/345752246.db2.gz QCHUADBXHSBQIM-UHFFFAOYSA-N 0 3 184.308 2.012 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ccns1 307012551 345752280 /nfs/dbraw/zinc/75/22/80/345752280.db2.gz MMQRTDZYYIZSTN-HTRCEHHLSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@H](C)[C@H](N)c1ccns1 307012554 345752309 /nfs/dbraw/zinc/75/23/09/345752309.db2.gz MMQRTDZYYIZSTN-XPUUQOCRSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ccns1 307012553 345752352 /nfs/dbraw/zinc/75/23/52/345752352.db2.gz MMQRTDZYYIZSTN-SVRRBLITSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@@H](Nc1ccncc1)C(F)F 307016264 345754169 /nfs/dbraw/zinc/75/41/69/345754169.db2.gz USJZYNZGDZVUKB-ZCFIWIBFSA-N 0 3 172.178 2.147 10 0 AEAEHN C[C@H](Nc1ccncc1)C(F)F 307016263 345754559 /nfs/dbraw/zinc/75/45/59/345754559.db2.gz USJZYNZGDZVUKB-LURJTMIESA-N 0 3 172.178 2.147 10 0 AEAEHN Cc1[nH]c([C@@H](C)N)nc1C(C)(C)C 307017294 345755525 /nfs/dbraw/zinc/75/55/25/345755525.db2.gz VZCSZPCPFXNJGP-ZCFIWIBFSA-N 0 3 181.283 2.035 10 0 AEAEHN Cc1nc([C@@H](C)N)[nH]c1C(C)(C)C 307017294 345755526 /nfs/dbraw/zinc/75/55/26/345755526.db2.gz VZCSZPCPFXNJGP-ZCFIWIBFSA-N 0 3 181.283 2.035 10 0 AEAEHN Cc1[nH]c([C@H](C)N)nc1C(C)(C)C 307017292 345755569 /nfs/dbraw/zinc/75/55/69/345755569.db2.gz VZCSZPCPFXNJGP-LURJTMIESA-N 0 3 181.283 2.035 10 0 AEAEHN Cc1nc([C@H](C)N)[nH]c1C(C)(C)C 307017292 345755570 /nfs/dbraw/zinc/75/55/70/345755570.db2.gz VZCSZPCPFXNJGP-LURJTMIESA-N 0 3 181.283 2.035 10 0 AEAEHN C1CN[C@]2(CCC[C@@H]3C[C@@H]32)SC1 307016876 345755628 /nfs/dbraw/zinc/75/56/28/345755628.db2.gz PMNRXBGCUIXNJJ-KXUCPTDWSA-N 0 3 183.320 2.229 10 0 AEAEHN C1CN[C@]2(CCC[C@H]3C[C@H]32)SC1 307016874 345755842 /nfs/dbraw/zinc/75/58/42/345755842.db2.gz PMNRXBGCUIXNJJ-IVZWLZJFSA-N 0 3 183.320 2.229 10 0 AEAEHN Cc1cocc1-c1cnccc1N 307021934 345759006 /nfs/dbraw/zinc/75/90/06/345759006.db2.gz BQGJHYITDOAVLG-UHFFFAOYSA-N 0 3 174.203 2.232 10 0 AEAEHN c1coc(CN[C@@H]2[C@H]3CCC[C@H]32)c1 307022218 345759386 /nfs/dbraw/zinc/75/93/86/345759386.db2.gz UQWOPYMHANKWTO-URLYPYJESA-N 0 3 177.247 2.168 10 0 AEAEHN CC(C)C[C@@H](N)c1cc(O)cc(O)c1 307023065 345759741 /nfs/dbraw/zinc/75/97/41/345759741.db2.gz XRUFFALBWQPOKZ-LLVKDONJSA-N 0 3 195.262 2.144 10 0 AEAEHN C[C@@H]1N=C(NCC2(C)CC2)S[C@@H]1C 307025309 345761684 /nfs/dbraw/zinc/76/16/84/345761684.db2.gz WZRRGYLWHKQPLI-JGVFFNPUSA-N 0 3 198.335 2.256 10 0 AEAEHN CC1(C)CC[C@]12NCCCS2 307025370 345761707 /nfs/dbraw/zinc/76/17/07/345761707.db2.gz HDBIZTWYAHAWME-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN CC1(C)CC[C@@]12NCCCS2 307025371 345761738 /nfs/dbraw/zinc/76/17/38/345761738.db2.gz HDBIZTWYAHAWME-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@@H]1N=C(NC2CCC2)S[C@@H]1C 307027225 345763552 /nfs/dbraw/zinc/76/35/52/345763552.db2.gz ZOJOCONPEBCLDS-NKWVEPMBSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@@H]1N=C(NC2CCC2)S[C@H]1C 307027224 345763558 /nfs/dbraw/zinc/76/35/58/345763558.db2.gz ZOJOCONPEBCLDS-BQBZGAKWSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@@H]1SC(NC2CCC2)=N[C@@H]1C 307027227 345763650 /nfs/dbraw/zinc/76/36/50/345763650.db2.gz ZOJOCONPEBCLDS-RQJHMYQMSA-N 0 3 184.308 2.008 10 0 AEAEHN CC(C)CNC1=N[C@H](C)[C@@H](C)S1 307027046 345763751 /nfs/dbraw/zinc/76/37/51/345763751.db2.gz ZIARABFFZIHUJE-HTQZYQBOSA-N 0 3 186.324 2.112 10 0 AEAEHN C[C@H]1N=C(NC2CCC2)S[C@@H]1C 307027226 345763774 /nfs/dbraw/zinc/76/37/74/345763774.db2.gz ZOJOCONPEBCLDS-RNFRBKRXSA-N 0 3 184.308 2.008 10 0 AEAEHN CC[C@@](C)(N)c1ncc(C)cc1C 307031217 345766774 /nfs/dbraw/zinc/76/67/74/345766774.db2.gz OSTSJHWLELZEQE-LLVKDONJSA-N 0 3 178.279 2.282 10 0 AEAEHN CC[C@](C)(N)c1ncc(C)cc1C 307031218 345766891 /nfs/dbraw/zinc/76/68/91/345766891.db2.gz OSTSJHWLELZEQE-NSHDSACASA-N 0 3 178.279 2.282 10 0 AEAEHN CN1CCC[C@@H]1CNc1ccsc1 307032967 345767232 /nfs/dbraw/zinc/76/72/32/345767232.db2.gz LKIGKEITCFSVKV-SNVBAGLBSA-N 0 3 196.319 2.254 10 0 AEAEHN CN1CCC[C@H]1CNc1ccsc1 307032961 345767251 /nfs/dbraw/zinc/76/72/51/345767251.db2.gz LKIGKEITCFSVKV-JTQLQIEISA-N 0 3 196.319 2.254 10 0 AEAEHN C[C@H]1CC[C@H]1NC1=N[C@H](C)CCS1 307035072 345768351 /nfs/dbraw/zinc/76/83/51/345768351.db2.gz USYJFCBEWMDGHT-DJLDLDEBSA-N 0 3 198.335 2.256 10 0 AEAEHN NCc1ccc(C(F)F)c(F)c1F 307035283 345769040 /nfs/dbraw/zinc/76/90/40/345769040.db2.gz WVICJCWBYNOPFX-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CCC1(NC2=NCCS2)CCCC1 307038046 345770467 /nfs/dbraw/zinc/77/04/67/345770467.db2.gz GSQDLVLVIFIFCT-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN Cc1cc([C@@H](N)c2ccc[nH]2)cs1 307038420 345770986 /nfs/dbraw/zinc/77/09/86/345770986.db2.gz PHUXURZBONEAAY-SNVBAGLBSA-N 0 3 192.287 2.433 10 0 AEAEHN Cc1cc([C@H](N)c2ccc[nH]2)cs1 307038418 345771055 /nfs/dbraw/zinc/77/10/55/345771055.db2.gz PHUXURZBONEAAY-JTQLQIEISA-N 0 3 192.287 2.433 10 0 AEAEHN C1CCCC(SC2=NCCN2)CC1 307042743 345774088 /nfs/dbraw/zinc/77/40/88/345774088.db2.gz CBFGMROCJBHMGE-UHFFFAOYSA-N 0 3 198.335 2.402 10 0 AEAEHN Cc1cc([C@H](F)C(C)(C)N)sn1 307043427 345774093 /nfs/dbraw/zinc/77/40/93/345774093.db2.gz DDTVSXYHQDPMAK-ZETCQYMHSA-N 0 3 188.271 2.199 10 0 AEAEHN CC[C@H](C)C[C@@H]1NCCS1 307046748 345776655 /nfs/dbraw/zinc/77/66/55/345776655.db2.gz YQLDLAKVWBNZPQ-JGVFFNPUSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@H](C)C[C@H]1NCCS1 307046750 345776874 /nfs/dbraw/zinc/77/68/74/345776874.db2.gz YQLDLAKVWBNZPQ-YUMQZZPRSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@@H](C)C[C@@H]1NCCS1 307046747 345776911 /nfs/dbraw/zinc/77/69/11/345776911.db2.gz YQLDLAKVWBNZPQ-HTQZYQBOSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@@H](C)C[C@H]1NCCS1 307046749 345776958 /nfs/dbraw/zinc/77/69/58/345776958.db2.gz YQLDLAKVWBNZPQ-SFYZADRCSA-N 0 3 159.298 2.085 10 0 AEAEHN Cc1cocc1[C@]1(F)CCCNC1 307050288 345778490 /nfs/dbraw/zinc/77/84/90/345778490.db2.gz HSBKEPXFODZRHI-JTQLQIEISA-N 0 3 183.226 2.136 10 0 AEAEHN Cc1cocc1[C@@]1(F)CCCNC1 307050289 345778660 /nfs/dbraw/zinc/77/86/60/345778660.db2.gz HSBKEPXFODZRHI-SNVBAGLBSA-N 0 3 183.226 2.136 10 0 AEAEHN NCc1cc(F)c(F)c(C(F)F)c1 307050968 345779274 /nfs/dbraw/zinc/77/92/74/345779274.db2.gz MLIBBKVBAKKOPI-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN C[C@@H]1N=C(NC2(C)CC2)S[C@H]1C 307051377 345779956 /nfs/dbraw/zinc/77/99/56/345779956.db2.gz SRRFZNPNPLFZHT-BQBZGAKWSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@H]1N=C(NC2(C)CC2)S[C@@H]1C 307051379 345780080 /nfs/dbraw/zinc/78/00/80/345780080.db2.gz SRRFZNPNPLFZHT-RNFRBKRXSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@@H]1N=C(NC2(C)CC2)S[C@@H]1C 307051378 345780153 /nfs/dbraw/zinc/78/01/53/345780153.db2.gz SRRFZNPNPLFZHT-NKWVEPMBSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@@H]1SC(NC2(C)CC2)=N[C@@H]1C 307051380 345780239 /nfs/dbraw/zinc/78/02/39/345780239.db2.gz SRRFZNPNPLFZHT-RQJHMYQMSA-N 0 3 184.308 2.008 10 0 AEAEHN CC[C@](N)(C(F)F)[C@H]1C[C@@H]1C 307054162 345781152 /nfs/dbraw/zinc/78/11/52/345781152.db2.gz WTIVHWIAUJFOKW-VMHSAVOQSA-N 0 3 163.211 2.015 10 0 AEAEHN CC[C@](N)(C(F)F)[C@H]1C[C@H]1C 307054160 345781155 /nfs/dbraw/zinc/78/11/55/345781155.db2.gz WTIVHWIAUJFOKW-GKROBHDKSA-N 0 3 163.211 2.015 10 0 AEAEHN CC[C@](N)(C(F)F)[C@@H]1C[C@@H]1C 307054161 345781277 /nfs/dbraw/zinc/78/12/77/345781277.db2.gz WTIVHWIAUJFOKW-SHYZEUOFSA-N 0 3 163.211 2.015 10 0 AEAEHN CC[C@](N)(C(F)F)[C@@H]1C[C@H]1C 307054159 345781284 /nfs/dbraw/zinc/78/12/84/345781284.db2.gz WTIVHWIAUJFOKW-ATRFCDNQSA-N 0 3 163.211 2.015 10 0 AEAEHN NC[C@@H](F)Cc1csc(Cl)c1 307056898 345782990 /nfs/dbraw/zinc/78/29/90/345782990.db2.gz WOOSSDKOJPFFRZ-LURJTMIESA-N 0 3 193.674 2.241 10 0 AEAEHN C1CC2(C1)CCC[C@]21NCCS1 307057462 345782981 /nfs/dbraw/zinc/78/29/81/345782981.db2.gz YPDWQGJERVVZDO-SNVBAGLBSA-N 0 3 183.320 2.373 10 0 AEAEHN NC[C@H](F)Cc1csc(Cl)c1 307056900 345783182 /nfs/dbraw/zinc/78/31/82/345783182.db2.gz WOOSSDKOJPFFRZ-ZCFIWIBFSA-N 0 3 193.674 2.241 10 0 AEAEHN C1CC2(C1)CCC[C@@]21NCCS1 307057461 345783205 /nfs/dbraw/zinc/78/32/05/345783205.db2.gz YPDWQGJERVVZDO-JTQLQIEISA-N 0 3 183.320 2.373 10 0 AEAEHN C[C@@H]1N[C@H](CC(C)(C)C)CO[C@H]1C 307057488 345783223 /nfs/dbraw/zinc/78/32/23/345783223.db2.gz YRBNXOMZBQVXEZ-LPEHRKFASA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@@H]1N[C@@H](CC(C)(C)C)CO[C@H]1C 307057476 345783359 /nfs/dbraw/zinc/78/33/59/345783359.db2.gz YRBNXOMZBQVXEZ-GUBZILKMSA-N 0 3 185.311 2.188 10 0 AEAEHN C[C@@H]1N[C@H](CC(C)(C)C)CO[C@@H]1C 307057477 345783418 /nfs/dbraw/zinc/78/34/18/345783418.db2.gz YRBNXOMZBQVXEZ-IVZWLZJFSA-N 0 3 185.311 2.188 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ccsn1 307059877 345785596 /nfs/dbraw/zinc/78/55/96/345785596.db2.gz IJCNEDDSYNBARK-SVRRBLITSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ccsn1 307059875 345785713 /nfs/dbraw/zinc/78/57/13/345785713.db2.gz IJCNEDDSYNBARK-HTRCEHHLSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ccsn1 307059876 345785778 /nfs/dbraw/zinc/78/57/78/345785778.db2.gz IJCNEDDSYNBARK-POYBYMJQSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@@H]1CCC[C@@H](SC2=NCCN2)C1 307060636 345786464 /nfs/dbraw/zinc/78/64/64/345786464.db2.gz KAOICKZBBSYTPV-RKDXNWHRSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@H]1CCC[C@H](SC2=NCCN2)C1 307060635 345786565 /nfs/dbraw/zinc/78/65/65/345786565.db2.gz KAOICKZBBSYTPV-IUCAKERBSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H]1CCC[C@H](SC2=NCCN2)C1 307060633 345786636 /nfs/dbraw/zinc/78/66/36/345786636.db2.gz KAOICKZBBSYTPV-BDAKNGLRSA-N 0 3 198.335 2.258 10 0 AEAEHN Cc1ccoc1[C@H]1NCC1(C)C 307063144 345787598 /nfs/dbraw/zinc/78/75/98/345787598.db2.gz PKWYPBYJZQCROY-SECBINFHSA-N 0 3 165.236 2.259 10 0 AEAEHN Cc1ccoc1[C@@H]1NCC1(C)C 307063149 345787696 /nfs/dbraw/zinc/78/76/96/345787696.db2.gz PKWYPBYJZQCROY-VIFPVBQESA-N 0 3 165.236 2.259 10 0 AEAEHN C[C@@H]1CCN[C@@H](c2ccns2)C1 307064543 345788241 /nfs/dbraw/zinc/78/82/41/345788241.db2.gz QFJGQCDUGNSKEP-HTQZYQBOSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@H]1CCN[C@H](c2ccns2)C1 307064555 345788302 /nfs/dbraw/zinc/78/83/02/345788302.db2.gz QFJGQCDUGNSKEP-YUMQZZPRSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@@H]1CCN[C@H](c2ccns2)C1 307064554 345788364 /nfs/dbraw/zinc/78/83/64/345788364.db2.gz QFJGQCDUGNSKEP-SFYZADRCSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@H]1CCN[C@@H](c2ccns2)C1 307064550 345788436 /nfs/dbraw/zinc/78/84/36/345788436.db2.gz QFJGQCDUGNSKEP-JGVFFNPUSA-N 0 3 182.292 2.204 10 0 AEAEHN Cc1cocc1[C@H](N)[C@]1(C)C[C@H]1F 307067616 345790381 /nfs/dbraw/zinc/79/03/81/345790381.db2.gz STROHRSRLWAETQ-KXUCPTDWSA-N 0 3 183.226 2.336 10 0 AEAEHN Cc1cocc1[C@H](N)[C@@]1(C)C[C@H]1F 307067618 345790465 /nfs/dbraw/zinc/79/04/65/345790465.db2.gz STROHRSRLWAETQ-UTLUCORTSA-N 0 3 183.226 2.336 10 0 AEAEHN Cc1cocc1[C@H](N)[C@@]1(C)C[C@@H]1F 307067615 345790478 /nfs/dbraw/zinc/79/04/78/345790478.db2.gz STROHRSRLWAETQ-GUBZILKMSA-N 0 3 183.226 2.336 10 0 AEAEHN Cc1cocc1[C@H](N)[C@]1(C)C[C@@H]1F 307067617 345790784 /nfs/dbraw/zinc/79/07/84/345790784.db2.gz STROHRSRLWAETQ-LPEHRKFASA-N 0 3 183.226 2.336 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@@H]1c1cscn1 307070402 345792140 /nfs/dbraw/zinc/79/21/40/345792140.db2.gz FFCVLQDISNKYSC-APPZFPTMSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@H]1c1cscn1 307070405 345792184 /nfs/dbraw/zinc/79/21/84/345792184.db2.gz FFCVLQDISNKYSC-VXNVDRBHSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@H]1c1cscn1 307070404 345792223 /nfs/dbraw/zinc/79/22/23/345792223.db2.gz FFCVLQDISNKYSC-IONNQARKSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@@H]1c1cscn1 307070403 345792304 /nfs/dbraw/zinc/79/23/04/345792304.db2.gz FFCVLQDISNKYSC-CBAPKCEASA-N 0 3 196.319 2.450 10 0 AEAEHN Cc1nc([C@H](C)N)cn1C1CCCC1 307071583 345792790 /nfs/dbraw/zinc/79/27/90/345792790.db2.gz XLTJFGILTNTWPZ-QMMMGPOBSA-N 0 3 193.294 2.326 10 0 AEAEHN CC(C)Oc1cccnc1C(C)(C)N 307071029 345792827 /nfs/dbraw/zinc/79/28/27/345792827.db2.gz WICGXRFBACPYCZ-UHFFFAOYSA-N 0 3 194.278 2.063 10 0 AEAEHN C[C@@H]1CN=C(SC2CCCC2)N1 307072344 345793566 /nfs/dbraw/zinc/79/35/66/345793566.db2.gz ICGNKDUZXMZHHV-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN NCc1c(F)cc(F)cc1C(F)F 307076493 345795965 /nfs/dbraw/zinc/79/59/65/345795965.db2.gz CXHIILWLSNZERF-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CCC(C)(C)[C@H]1NCCS1 307081243 345798746 /nfs/dbraw/zinc/79/87/46/345798746.db2.gz OUOAPXMQRQXHJP-ZETCQYMHSA-N 0 3 159.298 2.085 10 0 AEAEHN CCC(C)(C)[C@@H]1NCCS1 307081242 345798753 /nfs/dbraw/zinc/79/87/53/345798753.db2.gz OUOAPXMQRQXHJP-SSDOTTSWSA-N 0 3 159.298 2.085 10 0 AEAEHN Cc1nc([C@H](N)[C@H]2C[C@@H]2C)cs1 307088148 345802805 /nfs/dbraw/zinc/80/28/05/345802805.db2.gz SPUQWSVGAOJEDF-XWDQLLGVSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1nc([C@H](N)[C@@H]2C[C@H]2C)cs1 307088147 345802946 /nfs/dbraw/zinc/80/29/46/345802946.db2.gz SPUQWSVGAOJEDF-SLBFFKMLSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1nc([C@H](N)[C@H]2C[C@H]2C)cs1 307088149 345802966 /nfs/dbraw/zinc/80/29/66/345802966.db2.gz SPUQWSVGAOJEDF-XZKCWBSRSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1nc([C@H](N)[C@@H]2C[C@@H]2C)cs1 307088146 345803118 /nfs/dbraw/zinc/80/31/18/345803118.db2.gz SPUQWSVGAOJEDF-MTQIGAJGSA-N 0 3 182.292 2.107 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cccnc1F 307088911 345803526 /nfs/dbraw/zinc/80/35/26/345803526.db2.gz UKLHGGHRAJLRJD-APPZFPTMSA-N 0 3 182.242 2.267 10 0 AEAEHN Cc1cocc1[C@@H](N)C[C@@H]1CCCO1 307088969 345803563 /nfs/dbraw/zinc/80/35/63/345803563.db2.gz NPMPFXXSXNBFJR-ONGXEEELSA-N 0 3 195.262 2.157 10 0 AEAEHN Cc1cocc1[C@@H](N)C[C@H]1CCCO1 307088967 345803614 /nfs/dbraw/zinc/80/36/14/345803614.db2.gz NPMPFXXSXNBFJR-KOLCDFICSA-N 0 3 195.262 2.157 10 0 AEAEHN Cc1cocc1[C@H](N)C[C@H]1CCCO1 307088968 345803617 /nfs/dbraw/zinc/80/36/17/345803617.db2.gz NPMPFXXSXNBFJR-MWLCHTKSSA-N 0 3 195.262 2.157 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cccnc1F 307088912 345803670 /nfs/dbraw/zinc/80/36/70/345803670.db2.gz UKLHGGHRAJLRJD-CBAPKCEASA-N 0 3 182.242 2.267 10 0 AEAEHN Cc1cocc1[C@H](N)C[C@@H]1CCCO1 307088965 345803678 /nfs/dbraw/zinc/80/36/78/345803678.db2.gz NPMPFXXSXNBFJR-GXSJLCMTSA-N 0 3 195.262 2.157 10 0 AEAEHN CC(C)CC[C@H]1NC[C@H](C)S1 307091745 345805173 /nfs/dbraw/zinc/80/51/73/345805173.db2.gz YBWPVLSNBQWBLM-IUCAKERBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)CC[C@H]1NC[C@@H](C)S1 307091743 345805387 /nfs/dbraw/zinc/80/53/87/345805387.db2.gz YBWPVLSNBQWBLM-BDAKNGLRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)CC[C@@H]1NC[C@@H](C)S1 307091746 345805478 /nfs/dbraw/zinc/80/54/78/345805478.db2.gz YBWPVLSNBQWBLM-RKDXNWHRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)CC[C@@H]1NC[C@H](C)S1 307091744 345805500 /nfs/dbraw/zinc/80/55/00/345805500.db2.gz YBWPVLSNBQWBLM-DTWKUNHWSA-N 0 3 173.325 2.474 10 0 AEAEHN NCc1cc(C(F)F)c(F)cc1F 307091540 345805510 /nfs/dbraw/zinc/80/55/10/345805510.db2.gz XMZIVYVRUXDBFS-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CN[C@]1(c2nccs2)C[C@@H](C)[C@@H]1C 307093883 345806531 /nfs/dbraw/zinc/80/65/31/345806531.db2.gz BOYISMMCCGZDIA-KHQFGBGNSA-N 0 3 196.319 2.234 10 0 AEAEHN CN[C@]1(c2nccs2)C[C@H](C)[C@H]1C 307093886 345806542 /nfs/dbraw/zinc/80/65/42/345806542.db2.gz BOYISMMCCGZDIA-QXFUBDJGSA-N 0 3 196.319 2.234 10 0 AEAEHN CN[C@]1(c2nccs2)C[C@@H](C)[C@H]1C 307093884 345806546 /nfs/dbraw/zinc/80/65/46/345806546.db2.gz BOYISMMCCGZDIA-NQMVMOMDSA-N 0 3 196.319 2.234 10 0 AEAEHN CN[C@]1(c2nccs2)C[C@H](C)[C@@H]1C 307093885 345806651 /nfs/dbraw/zinc/80/66/51/345806651.db2.gz BOYISMMCCGZDIA-OYNCUSHFSA-N 0 3 196.319 2.234 10 0 AEAEHN NCc1cc(F)cc(C(F)F)c1F 307095568 345806865 /nfs/dbraw/zinc/80/68/65/345806865.db2.gz GRLNIKQTQZMLJC-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cccnc1F 307096152 345807541 /nfs/dbraw/zinc/80/75/41/345807541.db2.gz UKLHGGHRAJLRJD-VXNVDRBHSA-N 0 3 182.242 2.267 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cccnc1F 307096150 345807531 /nfs/dbraw/zinc/80/75/31/345807531.db2.gz UKLHGGHRAJLRJD-IONNQARKSA-N 0 3 182.242 2.267 10 0 AEAEHN CC[C@@H]1O[C@@H](C(C)(C)C)CN[C@@H]1C 307098912 345809010 /nfs/dbraw/zinc/80/90/10/345809010.db2.gz FLTDXTHGJORPHK-KXUCPTDWSA-N 0 3 185.311 2.188 10 0 AEAEHN CC[C@@H]1O[C@H](C(C)(C)C)CN[C@H]1C 307098910 345809102 /nfs/dbraw/zinc/80/91/02/345809102.db2.gz FLTDXTHGJORPHK-GUBZILKMSA-N 0 3 185.311 2.188 10 0 AEAEHN CC[C@@H]1O[C@H](C(C)(C)C)CN[C@@H]1C 307098916 345809166 /nfs/dbraw/zinc/80/91/66/345809166.db2.gz FLTDXTHGJORPHK-UTLUCORTSA-N 0 3 185.311 2.188 10 0 AEAEHN CC(C)(N)c1ncc(Cl)cc1F 307098798 345809231 /nfs/dbraw/zinc/80/92/31/345809231.db2.gz FHYXMTQIWPIEIE-UHFFFAOYSA-N 0 3 188.633 2.068 10 0 AEAEHN CC[C@@H]1O[C@@H](C(C)(C)C)CN[C@H]1C 307098914 345809348 /nfs/dbraw/zinc/80/93/48/345809348.db2.gz FLTDXTHGJORPHK-LPEHRKFASA-N 0 3 185.311 2.188 10 0 AEAEHN Cc1sc(C2CC2)nc1[C@H](C)N 307106114 345812893 /nfs/dbraw/zinc/81/28/93/345812893.db2.gz DONPBINEPFJFIO-YFKPBYRVSA-N 0 3 182.292 2.349 10 0 AEAEHN c1csc([C@H]2NC[C@@H]2C2CCC2)n1 307112076 345816119 /nfs/dbraw/zinc/81/61/19/345816119.db2.gz LXUBQUYVTYDNKQ-BDAKNGLRSA-N 0 3 194.303 2.204 10 0 AEAEHN c1csc([C@@H]2NC[C@@H]2C2CCC2)n1 307112086 345816254 /nfs/dbraw/zinc/81/62/54/345816254.db2.gz LXUBQUYVTYDNKQ-RKDXNWHRSA-N 0 3 194.303 2.204 10 0 AEAEHN c1csc([C@@H]2NC[C@H]2C2CCC2)n1 307112080 345816280 /nfs/dbraw/zinc/81/62/80/345816280.db2.gz LXUBQUYVTYDNKQ-DTWKUNHWSA-N 0 3 194.303 2.204 10 0 AEAEHN c1csc([C@H]2NC[C@H]2C2CCC2)n1 307112083 345816347 /nfs/dbraw/zinc/81/63/47/345816347.db2.gz LXUBQUYVTYDNKQ-IUCAKERBSA-N 0 3 194.303 2.204 10 0 AEAEHN NCc1cc(F)c(C(F)F)c(F)c1 307115788 345818587 /nfs/dbraw/zinc/81/85/87/345818587.db2.gz WNTOJSGRKGLTQA-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN NCc1csc(-c2ccco2)c1 307119927 345820199 /nfs/dbraw/zinc/82/01/99/345820199.db2.gz GUCXHXLRQXCMIQ-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN C[C@@H]1NCCC[C@@]1(F)c1ccco1 307120524 345820698 /nfs/dbraw/zinc/82/06/98/345820698.db2.gz HSUJXZXRLMXGQT-WPRPVWTQSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@H]1NCCC[C@]1(F)c1ccco1 307120521 345820972 /nfs/dbraw/zinc/82/09/72/345820972.db2.gz HSUJXZXRLMXGQT-PSASIEDQSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@@H]1NCCC[C@]1(F)c1ccco1 307120523 345820986 /nfs/dbraw/zinc/82/09/86/345820986.db2.gz HSUJXZXRLMXGQT-WCBMZHEXSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@H]1NCCC[C@@]1(F)c1ccco1 307120522 345821137 /nfs/dbraw/zinc/82/11/37/345821137.db2.gz HSUJXZXRLMXGQT-SCZZXKLOSA-N 0 3 183.226 2.216 10 0 AEAEHN Cc1cc(F)c([C@H](C)N)c(F)c1 307122492 345822126 /nfs/dbraw/zinc/82/21/26/345822126.db2.gz LYEZLFCYULEJMR-LURJTMIESA-N 0 3 171.190 2.293 10 0 AEAEHN Cc1cc(F)c([C@@H](C)N)c(F)c1 307122493 345822321 /nfs/dbraw/zinc/82/23/21/345822321.db2.gz LYEZLFCYULEJMR-ZCFIWIBFSA-N 0 3 171.190 2.293 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H](N)c1ccsn1 307123508 345822541 /nfs/dbraw/zinc/82/25/41/345822541.db2.gz OSUBZPHPQVMGFF-HTRCEHHLSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@@H]1[C@H](N)c1ccsn1 307123510 345822627 /nfs/dbraw/zinc/82/26/27/345822627.db2.gz OSUBZPHPQVMGFF-SVRRBLITSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@H](N)c1ccsn1 307123511 345822694 /nfs/dbraw/zinc/82/26/94/345822694.db2.gz OSUBZPHPQVMGFF-XPUUQOCRSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@@H](N)c1ccsn1 307123509 345823055 /nfs/dbraw/zinc/82/30/55/345823055.db2.gz OSUBZPHPQVMGFF-POYBYMJQSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H](CC(C)(C)O)Nc1ccncc1 307126096 345823988 /nfs/dbraw/zinc/82/39/88/345823988.db2.gz AHVLMCBBKMQZKX-VIFPVBQESA-N 0 3 194.278 2.043 10 0 AEAEHN C[C@H](CC(C)(C)O)Nc1ccncc1 307126095 345824265 /nfs/dbraw/zinc/82/42/65/345824265.db2.gz AHVLMCBBKMQZKX-SECBINFHSA-N 0 3 194.278 2.043 10 0 AEAEHN C[C@H]1CNc2ccncc2SC1 307127508 345825414 /nfs/dbraw/zinc/82/54/14/345825414.db2.gz NTYRKFARTIDAJC-ZETCQYMHSA-N 0 3 180.276 2.235 10 0 AEAEHN C[C@@H]1CNc2ccncc2SC1 307127507 345825491 /nfs/dbraw/zinc/82/54/91/345825491.db2.gz NTYRKFARTIDAJC-SSDOTTSWSA-N 0 3 180.276 2.235 10 0 AEAEHN C[C@@H]1N=C(NC2CCCC2)S[C@@H]1C 307131881 345828428 /nfs/dbraw/zinc/82/84/28/345828428.db2.gz LNUKZYNHUXZQFO-JGVFFNPUSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@@H]1N=C(NC2CCCC2)S[C@H]1C 307131884 345828525 /nfs/dbraw/zinc/82/85/25/345828525.db2.gz LNUKZYNHUXZQFO-YUMQZZPRSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@H]1N=C(NC2CCCC2)S[C@@H]1C 307131880 345828698 /nfs/dbraw/zinc/82/86/98/345828698.db2.gz LNUKZYNHUXZQFO-HTQZYQBOSA-N 0 3 198.335 2.398 10 0 AEAEHN C[C@@H]1SC(NC2CCCC2)=N[C@@H]1C 307131883 345828764 /nfs/dbraw/zinc/82/87/64/345828764.db2.gz LNUKZYNHUXZQFO-SFYZADRCSA-N 0 3 198.335 2.398 10 0 AEAEHN Cc1ccsc1[C@@H](N)C1=COCC1 307133219 345829197 /nfs/dbraw/zinc/82/91/97/345829197.db2.gz XGVKMXVEICDVNM-VIFPVBQESA-N 0 3 195.287 2.361 10 0 AEAEHN Cc1ccsc1[C@H](N)C1=COCC1 307133218 345829211 /nfs/dbraw/zinc/82/92/11/345829211.db2.gz XGVKMXVEICDVNM-SECBINFHSA-N 0 3 195.287 2.361 10 0 AEAEHN N[C@H](c1ccsc1)c1ccc[nH]1 307134181 345830065 /nfs/dbraw/zinc/83/00/65/345830065.db2.gz ZZTYWRVIAOGYTR-SECBINFHSA-N 0 3 178.260 2.124 10 0 AEAEHN N[C@@H](c1ccsc1)c1ccc[nH]1 307134182 345830254 /nfs/dbraw/zinc/83/02/54/345830254.db2.gz ZZTYWRVIAOGYTR-VIFPVBQESA-N 0 3 178.260 2.124 10 0 AEAEHN Cc1nc([C@@H](N)C2(C)CC2)cs1 307135270 345830935 /nfs/dbraw/zinc/83/09/35/345830935.db2.gz QJHKKCPHMYWEMC-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1nc([C@H](N)C2(C)CC2)cs1 307135271 345831110 /nfs/dbraw/zinc/83/11/10/345831110.db2.gz QJHKKCPHMYWEMC-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN CCC1(NC2=N[C@H](C)[C@H](C)S2)CC1 307138466 345832393 /nfs/dbraw/zinc/83/23/93/345832393.db2.gz AJLOTTGYIAPVQX-SFYZADRCSA-N 0 3 198.335 2.398 10 0 AEAEHN CCC1(NC2=N[C@@H](C)[C@H](C)S2)CC1 307138467 345832434 /nfs/dbraw/zinc/83/24/34/345832434.db2.gz AJLOTTGYIAPVQX-YUMQZZPRSA-N 0 3 198.335 2.398 10 0 AEAEHN CCC1(NC2=N[C@H](C)[C@@H](C)S2)CC1 307138463 345832527 /nfs/dbraw/zinc/83/25/27/345832527.db2.gz AJLOTTGYIAPVQX-HTQZYQBOSA-N 0 3 198.335 2.398 10 0 AEAEHN CCC1(NC2=N[C@@H](C)[C@@H](C)S2)CC1 307138464 345832777 /nfs/dbraw/zinc/83/27/77/345832777.db2.gz AJLOTTGYIAPVQX-JGVFFNPUSA-N 0 3 198.335 2.398 10 0 AEAEHN Cc1[nH]c(N)nc1-c1ccsc1 307142479 345835712 /nfs/dbraw/zinc/83/57/12/345835712.db2.gz FAGYVJZSWIUSKQ-UHFFFAOYSA-N 0 3 179.248 2.029 10 0 AEAEHN Cc1cocc1-c1cc(CN)co1 307144327 345837622 /nfs/dbraw/zinc/83/76/22/345837622.db2.gz LQDNJYZCVBQMEA-UHFFFAOYSA-N 0 3 177.203 2.307 10 0 AEAEHN CC[C@]1(C)CNc2ccncc2N1 307146669 345840051 /nfs/dbraw/zinc/84/00/51/345840051.db2.gz NMCBQSWRMYFGKT-SNVBAGLBSA-N 0 3 177.251 2.088 10 0 AEAEHN CC[C@@]1(C)CNc2ccncc2N1 307146668 345840086 /nfs/dbraw/zinc/84/00/86/345840086.db2.gz NMCBQSWRMYFGKT-JTQLQIEISA-N 0 3 177.251 2.088 10 0 AEAEHN COC[C@@H](N)c1csc(Cl)c1 307152329 345845155 /nfs/dbraw/zinc/84/51/55/345845155.db2.gz XUSQJXQIVQQQFU-ZCFIWIBFSA-N 0 3 191.683 2.048 10 0 AEAEHN COC[C@H](N)c1csc(Cl)c1 307152328 345845170 /nfs/dbraw/zinc/84/51/70/345845170.db2.gz XUSQJXQIVQQQFU-LURJTMIESA-N 0 3 191.683 2.048 10 0 AEAEHN CC(C)CC[C@@H]1N[C@H](C)CS1 307153116 345845794 /nfs/dbraw/zinc/84/57/94/345845794.db2.gz BPRBPZZGILTTOG-RKDXNWHRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)CC[C@H]1N[C@@H](C)CS1 307153115 345845725 /nfs/dbraw/zinc/84/57/25/345845725.db2.gz BPRBPZZGILTTOG-IUCAKERBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)CC[C@@H]1N[C@@H](C)CS1 307153114 345845768 /nfs/dbraw/zinc/84/57/68/345845768.db2.gz BPRBPZZGILTTOG-DTWKUNHWSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)CC[C@H]1N[C@H](C)CS1 307153113 345845826 /nfs/dbraw/zinc/84/58/26/345845826.db2.gz BPRBPZZGILTTOG-BDAKNGLRSA-N 0 3 173.325 2.474 10 0 AEAEHN CSC(C)(C)c1nc([C@H](C)N)c[nH]1 307156369 345848263 /nfs/dbraw/zinc/84/82/63/345848263.db2.gz WUTVELLBRPSAIH-LURJTMIESA-N 0 3 199.323 2.028 10 0 AEAEHN CSC(C)(C)c1nc([C@@H](C)N)c[nH]1 307156370 345848499 /nfs/dbraw/zinc/84/84/99/345848499.db2.gz WUTVELLBRPSAIH-ZCFIWIBFSA-N 0 3 199.323 2.028 10 0 AEAEHN Cc1ccc(F)c([C@@H]2C=CCN2)c1 307157732 345849500 /nfs/dbraw/zinc/84/95/00/345849500.db2.gz YNJDERQECNQUHP-NSHDSACASA-N 0 3 177.222 2.335 10 0 AEAEHN Cc1ccc(F)c([C@H]2C=CCN2)c1 307157731 345849730 /nfs/dbraw/zinc/84/97/30/345849730.db2.gz YNJDERQECNQUHP-LLVKDONJSA-N 0 3 177.222 2.335 10 0 AEAEHN Cc1csc([C@H]2NCC23CCC3)n1 307158632 345850155 /nfs/dbraw/zinc/85/01/55/345850155.db2.gz BJCPKPAPIMXIBT-MRVPVSSYSA-N 0 3 194.303 2.266 10 0 AEAEHN CC1(C)C[C@@H]1[C@@]1(C)NCCS1 307158698 345850165 /nfs/dbraw/zinc/85/01/65/345850165.db2.gz ZRLFUZGUYQKAQZ-CBAPKCEASA-N 0 3 171.309 2.085 10 0 AEAEHN CC1CN(Cc2cccs2)C1 307158796 345850181 /nfs/dbraw/zinc/85/01/81/345850181.db2.gz IVANJVYGVPYLRL-UHFFFAOYSA-N 0 3 167.277 2.200 10 0 AEAEHN CC1(C)C[C@H]1[C@@]1(C)NCCS1 307158697 345850395 /nfs/dbraw/zinc/85/03/95/345850395.db2.gz ZRLFUZGUYQKAQZ-APPZFPTMSA-N 0 3 171.309 2.085 10 0 AEAEHN CC1(C)C[C@@H]1[C@]1(C)NCCS1 307158699 345850416 /nfs/dbraw/zinc/85/04/16/345850416.db2.gz ZRLFUZGUYQKAQZ-IONNQARKSA-N 0 3 171.309 2.085 10 0 AEAEHN Cc1csc([C@@H]2NCC23CCC3)n1 307158633 345850622 /nfs/dbraw/zinc/85/06/22/345850622.db2.gz BJCPKPAPIMXIBT-QMMMGPOBSA-N 0 3 194.303 2.266 10 0 AEAEHN CC1(C)C[C@H]1[C@]1(C)NCCS1 307158700 345850635 /nfs/dbraw/zinc/85/06/35/345850635.db2.gz ZRLFUZGUYQKAQZ-VXNVDRBHSA-N 0 3 171.309 2.085 10 0 AEAEHN Cc1ccc2c(c1F)C[C@H](C)NC2 307160319 345852526 /nfs/dbraw/zinc/85/25/26/345852526.db2.gz VVKMZRFIMYRZBN-QMMMGPOBSA-N 0 3 179.238 2.168 10 0 AEAEHN Cc1ccc2c(c1F)C[C@@H](C)NC2 307160317 345852828 /nfs/dbraw/zinc/85/28/28/345852828.db2.gz VVKMZRFIMYRZBN-MRVPVSSYSA-N 0 3 179.238 2.168 10 0 AEAEHN Cc1cnc(C2(N)CCC2)c(C)c1 307161495 345853185 /nfs/dbraw/zinc/85/31/85/345853185.db2.gz KQOGYUDHYYWAKT-UHFFFAOYSA-N 0 3 176.263 2.036 10 0 AEAEHN NCc1csc(C2CC2)c1 307162602 345854837 /nfs/dbraw/zinc/85/48/37/345854837.db2.gz HQZUNOCMJIGWCG-UHFFFAOYSA-N 0 3 153.250 2.084 10 0 AEAEHN CC1(C)SC[C@@H]1NC/C=C/Cl 307168084 345860336 /nfs/dbraw/zinc/86/03/36/345860336.db2.gz UDUFFQJXPOCFIN-SDLBARTOSA-N 0 3 191.727 2.223 10 0 AEAEHN CC1(C)SC[C@H]1NC/C=C/Cl 307168083 345860478 /nfs/dbraw/zinc/86/04/78/345860478.db2.gz UDUFFQJXPOCFIN-KGGZQZJCSA-N 0 3 191.727 2.223 10 0 AEAEHN CC1CCC(SC2=NCCN2)CC1 307171471 345863659 /nfs/dbraw/zinc/86/36/59/345863659.db2.gz OIBYZSNFMREZBI-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN CN[C@@H](c1ccns1)C(C)C 307172914 345864602 /nfs/dbraw/zinc/86/46/02/345864602.db2.gz CIGYBDLVRMAEQM-MRVPVSSYSA-N 0 3 170.281 2.060 10 0 AEAEHN CN[C@H](c1ccns1)C(C)C 307172915 345864970 /nfs/dbraw/zinc/86/49/70/345864970.db2.gz CIGYBDLVRMAEQM-QMMMGPOBSA-N 0 3 170.281 2.060 10 0 AEAEHN C[C@@H](c1ccc(N)cc1)N1CCC1 307174329 345865533 /nfs/dbraw/zinc/86/55/33/345865533.db2.gz TZBRVAPCQJBXHW-VIFPVBQESA-N 0 3 176.263 2.036 10 0 AEAEHN C[C@H](c1ccc(N)cc1)N1CCC1 307174328 345865591 /nfs/dbraw/zinc/86/55/91/345865591.db2.gz TZBRVAPCQJBXHW-SECBINFHSA-N 0 3 176.263 2.036 10 0 AEAEHN NCc1coc(C2=CCCC2)c1 307179961 345869592 /nfs/dbraw/zinc/86/95/92/345869592.db2.gz IXMIFBPKXQXORJ-UHFFFAOYSA-N 0 3 163.220 2.306 10 0 AEAEHN C[C@@H]1CN=C(S[C@@H]2C=CCCC2)N1 307182498 345871588 /nfs/dbraw/zinc/87/15/88/345871588.db2.gz VHBXCUSORSRMLD-RKDXNWHRSA-N 0 3 196.319 2.176 10 0 AEAEHN C[C@@H]1CN=C(S[C@H]2C=CCCC2)N1 307182495 345871617 /nfs/dbraw/zinc/87/16/17/345871617.db2.gz VHBXCUSORSRMLD-BDAKNGLRSA-N 0 3 196.319 2.176 10 0 AEAEHN C[C@H]1CN=C(S[C@H]2C=CCCC2)N1 307182497 345871732 /nfs/dbraw/zinc/87/17/32/345871732.db2.gz VHBXCUSORSRMLD-IUCAKERBSA-N 0 3 196.319 2.176 10 0 AEAEHN C[C@H]1CN=C(S[C@@H]2C=CCCC2)N1 307182496 345871905 /nfs/dbraw/zinc/87/19/05/345871905.db2.gz VHBXCUSORSRMLD-DTWKUNHWSA-N 0 3 196.319 2.176 10 0 AEAEHN NCc1cc2sccc2nc1Cl 307183968 345872679 /nfs/dbraw/zinc/87/26/79/345872679.db2.gz QDGKXGUTSBSMJL-UHFFFAOYSA-N 0 3 198.678 2.408 10 0 AEAEHN NCc1ccc(F)c(F)c1C(F)F 307186816 345874246 /nfs/dbraw/zinc/87/42/46/345874246.db2.gz NGQPYROVVDESOG-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN Cc1cc([C@H](N)C2=COCC2)cs1 307188892 345876228 /nfs/dbraw/zinc/87/62/28/345876228.db2.gz XOTRATDHZGAARB-SNVBAGLBSA-N 0 3 195.287 2.361 10 0 AEAEHN Cc1cc([C@@H](N)C2=COCC2)cs1 307188891 345876278 /nfs/dbraw/zinc/87/62/78/345876278.db2.gz XOTRATDHZGAARB-JTQLQIEISA-N 0 3 195.287 2.361 10 0 AEAEHN CC(C)[C@@]1(C)CSC(NC2CC2)=N1 307192579 345878527 /nfs/dbraw/zinc/87/85/27/345878527.db2.gz BFPUHBRMBVCARV-SNVBAGLBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)[C@]1(C)CSC(NC2CC2)=N1 307192578 345878723 /nfs/dbraw/zinc/87/87/23/345878723.db2.gz BFPUHBRMBVCARV-JTQLQIEISA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H](C)N[C@H]1CCCc2c[nH]nc21 307196237 345881876 /nfs/dbraw/zinc/88/18/76/345881876.db2.gz SVQKMSBSTJIOQJ-WPRPVWTQSA-N 0 3 193.294 2.175 10 0 AEAEHN CC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 307196236 345882044 /nfs/dbraw/zinc/88/20/44/345882044.db2.gz SVQKMSBSTJIOQJ-WCBMZHEXSA-N 0 3 193.294 2.175 10 0 AEAEHN C[C@H]1CC[C@](N)(c2ccns2)C1 307197262 345882305 /nfs/dbraw/zinc/88/23/05/345882305.db2.gz RFUSLWGSCXQKDN-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2ccns2)C1 307197263 345882358 /nfs/dbraw/zinc/88/23/58/345882358.db2.gz RFUSLWGSCXQKDN-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1cccn1C 307196779 345882398 /nfs/dbraw/zinc/88/23/98/345882398.db2.gz UHSWLNLODGKOQF-AOOOYVTPSA-N 0 3 178.279 2.008 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2ccns2)C1 307197260 345882515 /nfs/dbraw/zinc/88/25/15/345882515.db2.gz RFUSLWGSCXQKDN-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2ccns2)C1 307197261 345882582 /nfs/dbraw/zinc/88/25/82/345882582.db2.gz RFUSLWGSCXQKDN-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1C[C@H](C)N1Cc1cccn1C 307196781 345882669 /nfs/dbraw/zinc/88/26/69/345882669.db2.gz UHSWLNLODGKOQF-UWVGGRQHSA-N 0 3 178.279 2.008 10 0 AEAEHN CNC(C)(C)[C@@H](F)c1cncc(C)c1 307202250 345886438 /nfs/dbraw/zinc/88/64/38/345886438.db2.gz FPUCXGXNKWPGSM-JTQLQIEISA-N 0 3 196.269 2.399 10 0 AEAEHN CNC(C)(C)[C@H](F)c1cncc(C)c1 307202252 345886942 /nfs/dbraw/zinc/88/69/42/345886942.db2.gz FPUCXGXNKWPGSM-SNVBAGLBSA-N 0 3 196.269 2.399 10 0 AEAEHN Cc1nc(-c2ccoc2CN)cs1 307204487 345888462 /nfs/dbraw/zinc/88/84/62/345888462.db2.gz FVSPTPBQRMESKE-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN NCc1csc(-c2ccoc2)c1 307206247 345889635 /nfs/dbraw/zinc/88/96/35/345889635.db2.gz IGACAYAZPDBGHV-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN C[C@H]1[C@H](C)C[C@]12NC[C@@H](C)S2 307206422 345890310 /nfs/dbraw/zinc/89/03/10/345890310.db2.gz KZTFFDLMECTGCG-LURQLKTLSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@H]1C[C@]2(NC[C@@H](C)S2)[C@@H]1C 307206421 345890530 /nfs/dbraw/zinc/89/05/30/345890530.db2.gz KZTFFDLMECTGCG-JQCXWYLXSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@H]1C[C@]2(NC[C@@H](C)S2)[C@H]1C 307206423 345890577 /nfs/dbraw/zinc/89/05/77/345890577.db2.gz KZTFFDLMECTGCG-UYXSQOIJSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CN[C@]2(C[C@@H](C)[C@H]2C)S1 307206420 345890675 /nfs/dbraw/zinc/89/06/75/345890675.db2.gz KZTFFDLMECTGCG-FNCVBFRFSA-N 0 3 171.309 2.084 10 0 AEAEHN Cc1nc(-c2cc(CN)co2)cs1 307209625 345892609 /nfs/dbraw/zinc/89/26/09/345892609.db2.gz KLNWTKJAUAETBB-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CCCc1scc(CN)c1C 307220378 345900250 /nfs/dbraw/zinc/90/02/50/345900250.db2.gz XAWUVQNUGXNUKG-UHFFFAOYSA-N 0 3 169.293 2.468 10 0 AEAEHN CC[C@@H]1N=C(NC2(C)CC2)S[C@H]1C 307221858 345900671 /nfs/dbraw/zinc/90/06/71/345900671.db2.gz YGDFPYRURZMSIF-YUMQZZPRSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@H]1N=C(NC2(C)CC2)S[C@@H]1C 307221853 345900755 /nfs/dbraw/zinc/90/07/55/345900755.db2.gz YGDFPYRURZMSIF-HTQZYQBOSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@@H]1N=C(NC2(C)CC2)S[C@@H]1C 307221856 345900927 /nfs/dbraw/zinc/90/09/27/345900927.db2.gz YGDFPYRURZMSIF-SFYZADRCSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@H]1N=C(NC2(C)CC2)S[C@H]1C 307221854 345901132 /nfs/dbraw/zinc/90/11/32/345901132.db2.gz YGDFPYRURZMSIF-JGVFFNPUSA-N 0 3 198.335 2.398 10 0 AEAEHN CC[C@@H]1SC(N[C@@H]2C[C@@H]2C)=N[C@@H]1C 307225167 345903461 /nfs/dbraw/zinc/90/34/61/345903461.db2.gz CPGCNECLBLBWHZ-KDXUFGMBSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@@H]1SC(N[C@@H]2C[C@@H]2C)=N[C@H]1C 307225168 345903520 /nfs/dbraw/zinc/90/35/20/345903520.db2.gz CPGCNECLBLBWHZ-MAUMQABQSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@@H]1SC(N[C@@H]2C[C@H]2C)=N[C@@H]1C 307225166 345903530 /nfs/dbraw/zinc/90/35/30/345903530.db2.gz CPGCNECLBLBWHZ-BGZDPUMWSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@@H]1SC(N[C@@H]2C[C@H]2C)=N[C@H]1C 307225169 345903553 /nfs/dbraw/zinc/90/35/53/345903553.db2.gz CPGCNECLBLBWHZ-XAVMHZPKSA-N 0 3 198.335 2.254 10 0 AEAEHN N[C@H](c1ccns1)[C@@H]1[C@H]2CCC[C@H]21 307228935 345905982 /nfs/dbraw/zinc/90/59/82/345905982.db2.gz KHQKGLXRJYWBHH-GOZTYBTRSA-N 0 3 194.303 2.189 10 0 AEAEHN Clc1cc(C=C2CNC2)cs1 307228621 345905991 /nfs/dbraw/zinc/90/59/91/345905991.db2.gz YIEUHGNBWCLYSD-UHFFFAOYSA-N 0 3 185.679 2.388 10 0 AEAEHN N[C@@H](c1ccns1)[C@@H]1[C@H]2CCC[C@H]21 307228937 345906069 /nfs/dbraw/zinc/90/60/69/345906069.db2.gz KHQKGLXRJYWBHH-WDQPUEAGSA-N 0 3 194.303 2.189 10 0 AEAEHN C[C@H]1[C@H](C)CN1CCC(F)(F)F 307230139 345906869 /nfs/dbraw/zinc/90/68/69/345906869.db2.gz BOXYFXIWUWYRBZ-RQJHMYQMSA-N 0 3 181.201 2.279 10 0 AEAEHN C[C@H]1CN(CCC(F)(F)F)[C@H]1C 307230128 345906912 /nfs/dbraw/zinc/90/69/12/345906912.db2.gz BOXYFXIWUWYRBZ-BQBZGAKWSA-N 0 3 181.201 2.279 10 0 AEAEHN C[C@H]1CN(CCC(F)(F)F)[C@@H]1C 307230132 345907049 /nfs/dbraw/zinc/90/70/49/345907049.db2.gz BOXYFXIWUWYRBZ-NKWVEPMBSA-N 0 3 181.201 2.279 10 0 AEAEHN CC[C@H]1CCCC[C@@H]1N1CCOCC1 307230994 345907676 /nfs/dbraw/zinc/90/76/76/345907676.db2.gz KZUDABMXQFAGLH-RYUDHWBXSA-N 0 3 197.322 2.287 10 0 AEAEHN CC[C@H]1CCCC[C@H]1N1CCOCC1 307230988 345907682 /nfs/dbraw/zinc/90/76/82/345907682.db2.gz KZUDABMXQFAGLH-NWDGAFQWSA-N 0 3 197.322 2.287 10 0 AEAEHN CC[C@@H]1CCCC[C@@H]1N1CCOCC1 307230979 345907906 /nfs/dbraw/zinc/90/79/06/345907906.db2.gz KZUDABMXQFAGLH-NEPJUHHUSA-N 0 3 197.322 2.287 10 0 AEAEHN CC[C@@H]1CCCC[C@H]1N1CCOCC1 307230999 345907913 /nfs/dbraw/zinc/90/79/13/345907913.db2.gz KZUDABMXQFAGLH-VXGBXAGGSA-N 0 3 197.322 2.287 10 0 AEAEHN CC(C)CSc1cnccc1N 307230702 345907976 /nfs/dbraw/zinc/90/79/76/345907976.db2.gz ASLVNWVXKSMXCL-UHFFFAOYSA-N 0 3 182.292 2.412 10 0 AEAEHN C[C@](F)(C(F)F)[C@H]1CCCCN1 307234906 345911507 /nfs/dbraw/zinc/91/15/07/345911507.db2.gz MPFAIOUAXUYRPV-HTRCEHHLSA-N 0 3 181.201 2.122 10 0 AEAEHN C[C@](F)(C(F)F)[C@@H]1CCCCN1 307234907 345911558 /nfs/dbraw/zinc/91/15/58/345911558.db2.gz MPFAIOUAXUYRPV-POYBYMJQSA-N 0 3 181.201 2.122 10 0 AEAEHN C[C@@](F)(C(F)F)[C@H]1CCCCN1 307234908 345911586 /nfs/dbraw/zinc/91/15/86/345911586.db2.gz MPFAIOUAXUYRPV-SVRRBLITSA-N 0 3 181.201 2.122 10 0 AEAEHN C[C@@](F)(C(F)F)[C@@H]1CCCCN1 307234909 345911600 /nfs/dbraw/zinc/91/16/00/345911600.db2.gz MPFAIOUAXUYRPV-XPUUQOCRSA-N 0 3 181.201 2.122 10 0 AEAEHN Cc1nc([C@](C)(N)C(C)C)cs1 307237137 345912997 /nfs/dbraw/zinc/91/29/97/345912997.db2.gz GQHNZKFJMQGXLO-SECBINFHSA-N 0 3 184.308 2.281 10 0 AEAEHN Cc1ccsc1[C@@H](N)c1ccc[nH]1 307237439 345913691 /nfs/dbraw/zinc/91/36/91/345913691.db2.gz XGQWOKXJQDLUIS-VIFPVBQESA-N 0 3 192.287 2.433 10 0 AEAEHN Cc1ccsc1[C@H](N)c1ccc[nH]1 307237438 345913731 /nfs/dbraw/zinc/91/37/31/345913731.db2.gz XGQWOKXJQDLUIS-SECBINFHSA-N 0 3 192.287 2.433 10 0 AEAEHN C/C=C/CN[C@@H]1CCc2cccnc21 307239415 345914570 /nfs/dbraw/zinc/91/45/70/345914570.db2.gz HNRRBAHWDHVXFR-KXMPLOMGSA-N 0 3 188.274 2.235 10 0 AEAEHN C/C=C/CN[C@H]1CCc2cccnc21 307239421 345914633 /nfs/dbraw/zinc/91/46/33/345914633.db2.gz HNRRBAHWDHVXFR-VUDBWIFFSA-N 0 3 188.274 2.235 10 0 AEAEHN Cc1csc(C2(N)CC(C)(C)C2)n1 307239314 345914649 /nfs/dbraw/zinc/91/46/49/345914649.db2.gz PMRBJHBZRMQXDW-UHFFFAOYSA-N 0 3 196.319 2.426 10 0 AEAEHN c1cc([C@@H]2NCC23CCC3)co1 307242608 345916909 /nfs/dbraw/zinc/91/69/09/345916909.db2.gz IQHJEDVLERKBOQ-VIFPVBQESA-N 0 3 163.220 2.094 10 0 AEAEHN c1cc([C@H]2NCC23CCC3)co1 307242607 345917348 /nfs/dbraw/zinc/91/73/48/345917348.db2.gz IQHJEDVLERKBOQ-SECBINFHSA-N 0 3 163.220 2.094 10 0 AEAEHN Cc1cc(-c2cnc(N)n2C)cs1 307244584 345918088 /nfs/dbraw/zinc/91/80/88/345918088.db2.gz UZJLKJAFEGAYGV-UHFFFAOYSA-N 0 3 193.275 2.039 10 0 AEAEHN C1=C(CC=C2CNC2)CCCC1 307251511 345923140 /nfs/dbraw/zinc/92/31/40/345923140.db2.gz QOZMDCBNLHOOKM-UHFFFAOYSA-N 0 3 163.264 2.407 10 0 AEAEHN CC[C@@H]1SC(NC(C)C)=N[C@@H]1C 307251229 345923152 /nfs/dbraw/zinc/92/31/52/345923152.db2.gz NMUWNNYXRNDEPH-SFYZADRCSA-N 0 3 186.324 2.254 10 0 AEAEHN CC[C@@H]1SC(NC(C)C)=N[C@H]1C 307251230 345923179 /nfs/dbraw/zinc/92/31/79/345923179.db2.gz NMUWNNYXRNDEPH-YUMQZZPRSA-N 0 3 186.324 2.254 10 0 AEAEHN CNCc1ccc(-c2cscn2)o1 307251480 345923349 /nfs/dbraw/zinc/92/33/49/345923349.db2.gz QMKRLTCEOKFNEB-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN CC[C@@H](C)[C@@](C)(N)c1ccsn1 307253871 345925567 /nfs/dbraw/zinc/92/55/67/345925567.db2.gz WGUJQQYPTOWJDY-VXNVDRBHSA-N 0 3 184.308 2.363 10 0 AEAEHN CC[C@H](C)[C@@](C)(N)c1ccsn1 307253870 345925597 /nfs/dbraw/zinc/92/55/97/345925597.db2.gz WGUJQQYPTOWJDY-IONNQARKSA-N 0 3 184.308 2.363 10 0 AEAEHN CC[C@@H](C)[C@](C)(N)c1ccsn1 307253868 345925729 /nfs/dbraw/zinc/92/57/29/345925729.db2.gz WGUJQQYPTOWJDY-APPZFPTMSA-N 0 3 184.308 2.363 10 0 AEAEHN CC[C@H](C)[C@](C)(N)c1ccsn1 307253869 345925767 /nfs/dbraw/zinc/92/57/67/345925767.db2.gz WGUJQQYPTOWJDY-CBAPKCEASA-N 0 3 184.308 2.363 10 0 AEAEHN C[C@]1([C@@H](N)c2ccc[nH]2)CCCS1 307256208 345927628 /nfs/dbraw/zinc/92/76/28/345927628.db2.gz BWRDUGXOMAKDJR-VHSXEESVSA-N 0 3 196.319 2.300 10 0 AEAEHN C[C@@]1([C@H](N)c2ccc[nH]2)CCCS1 307256210 345927657 /nfs/dbraw/zinc/92/76/57/345927657.db2.gz BWRDUGXOMAKDJR-ZJUUUORDSA-N 0 3 196.319 2.300 10 0 AEAEHN C[C@]1([C@H](N)c2ccc[nH]2)CCCS1 307256205 345927960 /nfs/dbraw/zinc/92/79/60/345927960.db2.gz BWRDUGXOMAKDJR-NXEZZACHSA-N 0 3 196.319 2.300 10 0 AEAEHN C[C@@]1([C@@H](N)c2ccc[nH]2)CCCS1 307256206 345928040 /nfs/dbraw/zinc/92/80/40/345928040.db2.gz BWRDUGXOMAKDJR-UWVGGRQHSA-N 0 3 196.319 2.300 10 0 AEAEHN CCC(N)(CC)c1ccsn1 307258177 345929015 /nfs/dbraw/zinc/92/90/15/345929015.db2.gz FKSOYTCDYDKRRP-UHFFFAOYSA-N 0 3 170.281 2.117 10 0 AEAEHN Cn1ccnc1NC1CC(C)(C)C1 307257876 345929141 /nfs/dbraw/zinc/92/91/41/345929141.db2.gz QEUPWJJFFBIJRI-UHFFFAOYSA-N 0 3 179.267 2.021 10 0 AEAEHN F[C@H]1CCC[C@H]1Nc1ccncc1 307258737 345929837 /nfs/dbraw/zinc/92/98/37/345929837.db2.gz CWWZUXRUKOFOIB-VHSXEESVSA-N 0 3 180.226 2.384 10 0 AEAEHN CC(C)C[C@H](N)c1cccnc1F 307267108 345936028 /nfs/dbraw/zinc/93/60/28/345936028.db2.gz LAXNGZYOEGMYJC-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@@H]1c1nccs1 307267219 345936137 /nfs/dbraw/zinc/93/61/37/345936137.db2.gz DNRMTPSGXHHBFB-SFYZADRCSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@H]1c1nccs1 307267217 345936223 /nfs/dbraw/zinc/93/62/23/345936223.db2.gz DNRMTPSGXHHBFB-HTQZYQBOSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@@H]1c1nccs1 307267220 345936239 /nfs/dbraw/zinc/93/62/39/345936239.db2.gz DNRMTPSGXHHBFB-YUMQZZPRSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@H]1c1nccs1 307267218 345936389 /nfs/dbraw/zinc/93/63/89/345936389.db2.gz DNRMTPSGXHHBFB-JGVFFNPUSA-N 0 3 196.319 2.450 10 0 AEAEHN C[C@@H]1CNC(C2CC2)(C2CC2)SC1 307270385 345937628 /nfs/dbraw/zinc/93/76/28/345937628.db2.gz PUAPEHHFAZITRW-MRVPVSSYSA-N 0 3 197.347 2.475 10 0 AEAEHN C[C@H]1CNC(C2CC2)(C2CC2)SC1 307270386 345937870 /nfs/dbraw/zinc/93/78/70/345937870.db2.gz PUAPEHHFAZITRW-QMMMGPOBSA-N 0 3 197.347 2.475 10 0 AEAEHN NCc1csc(-c2ccsn2)c1 307278540 345943078 /nfs/dbraw/zinc/94/30/78/345943078.db2.gz UWJKFKKSSFKLNK-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CN[C@H](c1ccsn1)C(C)C 307281063 345944990 /nfs/dbraw/zinc/94/49/90/345944990.db2.gz AFPBACWCDNIHHN-QMMMGPOBSA-N 0 3 170.281 2.060 10 0 AEAEHN CN[C@@H](c1ccsn1)C(C)C 307281057 345945055 /nfs/dbraw/zinc/94/50/55/345945055.db2.gz AFPBACWCDNIHHN-MRVPVSSYSA-N 0 3 170.281 2.060 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC[C@H]2C)o1 307282557 345945929 /nfs/dbraw/zinc/94/59/29/345945929.db2.gz LEJTUBQKHQEHCQ-LDYMZIIASA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1ccc(CN[C@H]2CC[C@@H]2C)o1 307282555 345946136 /nfs/dbraw/zinc/94/61/36/345946136.db2.gz LEJTUBQKHQEHCQ-KWQFWETISA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1ccc(CN[C@H]2CC[C@H]2C)o1 307282554 345946148 /nfs/dbraw/zinc/94/61/48/345946148.db2.gz LEJTUBQKHQEHCQ-KCJUWKMLSA-N 0 3 179.263 2.476 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC[C@@H]2C)o1 307282552 345946177 /nfs/dbraw/zinc/94/61/77/345946177.db2.gz LEJTUBQKHQEHCQ-GZMMTYOYSA-N 0 3 179.263 2.476 10 0 AEAEHN C[C@@]1(C2CCC2)NCCCS1 307287594 345948668 /nfs/dbraw/zinc/94/86/68/345948668.db2.gz VBSFDVDUORNWGS-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@]1(C2CCC2)NCCCS1 307287595 345948815 /nfs/dbraw/zinc/94/88/15/345948815.db2.gz VBSFDVDUORNWGS-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN C1CNC(C2CC2)(C2CC2)SC1 307291329 345950872 /nfs/dbraw/zinc/95/08/72/345950872.db2.gz BZAYYZGLTUMDCM-UHFFFAOYSA-N 0 3 183.320 2.229 10 0 AEAEHN Fc1ccsc1CNC1CC1 307297529 345953987 /nfs/dbraw/zinc/95/39/87/345953987.db2.gz SFWVKZHZIWKSTM-UHFFFAOYSA-N 0 3 171.240 2.139 10 0 AEAEHN CC1CN(Cc2ccsc2)C1 307300088 345955515 /nfs/dbraw/zinc/95/55/15/345955515.db2.gz RXWCVPZFDLDOGB-UHFFFAOYSA-N 0 3 167.277 2.200 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccsn1 307301927 345956571 /nfs/dbraw/zinc/95/65/71/345956571.db2.gz YEMWUZHEMDGJOD-SSDOTTSWSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@H]1SCC[C@@H]1NC/C=C/Cl 307306637 345959803 /nfs/dbraw/zinc/95/98/03/345959803.db2.gz KBBKVLUCHMHGMJ-KHMYBQILSA-N 0 3 191.727 2.223 10 0 AEAEHN C[C@H]1SCC[C@H]1NC/C=C/Cl 307306639 345959834 /nfs/dbraw/zinc/95/98/34/345959834.db2.gz KBBKVLUCHMHGMJ-WGAMGKKUSA-N 0 3 191.727 2.223 10 0 AEAEHN C[C@@H]1SCC[C@@H]1NC/C=C/Cl 307306638 345959913 /nfs/dbraw/zinc/95/99/13/345959913.db2.gz KBBKVLUCHMHGMJ-POSAZWSLSA-N 0 3 191.727 2.223 10 0 AEAEHN C[C@@H]1SCC[C@H]1NC/C=C/Cl 307306636 345960142 /nfs/dbraw/zinc/96/01/42/345960142.db2.gz KBBKVLUCHMHGMJ-IOEWOSKSSA-N 0 3 191.727 2.223 10 0 AEAEHN CC(C)N1CCCC[C@@H](F)C1 307311837 345963701 /nfs/dbraw/zinc/96/37/01/345963701.db2.gz GBBPQJNRGOQSKD-SECBINFHSA-N 0 3 159.248 2.219 10 0 AEAEHN CC1(C)CC2(C1)NCCCS2 307315418 345966207 /nfs/dbraw/zinc/96/62/07/345966207.db2.gz MHYPMNZOYUNLBF-UHFFFAOYSA-N 0 3 171.309 2.229 10 0 AEAEHN CC(C)(NC1=NCCC1)C(F)(F)F 307318292 345967847 /nfs/dbraw/zinc/96/78/47/345967847.db2.gz QDCKKZKVRMFLJT-UHFFFAOYSA-N 0 3 194.200 2.109 10 0 AEAEHN CCC(=O)CN1CCC2(CCC2)CC1 307318550 345967850 /nfs/dbraw/zinc/96/78/50/345967850.db2.gz QQNIKTTVKWGLBH-UHFFFAOYSA-N 0 3 195.306 2.232 10 0 AEAEHN Cc1cc([C@@]2(N)CC[C@H](C)C2)sn1 307326029 345972705 /nfs/dbraw/zinc/97/27/05/345972705.db2.gz HHNAMHMQFLRWHV-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@]2(N)CC[C@@H](C)C2)sn1 307326030 345972812 /nfs/dbraw/zinc/97/28/12/345972812.db2.gz HHNAMHMQFLRWHV-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@@]2(N)CC[C@@H](C)C2)sn1 307326027 345972844 /nfs/dbraw/zinc/97/28/44/345972844.db2.gz HHNAMHMQFLRWHV-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@]2(N)CC[C@H](C)C2)sn1 307326031 345972866 /nfs/dbraw/zinc/97/28/66/345972866.db2.gz HHNAMHMQFLRWHV-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1scc(CN)c1[C@@H]1CCOC1 307325822 345972975 /nfs/dbraw/zinc/97/29/75/345972975.db2.gz MJWNQQMEWYLQFM-MRVPVSSYSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1scc(CN)c1[C@H]1CCOC1 307325823 345973018 /nfs/dbraw/zinc/97/30/18/345973018.db2.gz MJWNQQMEWYLQFM-QMMMGPOBSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1cscc1N[C@H]1CCN(C)C1 307326774 345973359 /nfs/dbraw/zinc/97/33/59/345973359.db2.gz JFUUTWOZIPSBFL-VIFPVBQESA-N 0 3 196.319 2.173 10 0 AEAEHN Cc1cscc1N[C@@H]1CCN(C)C1 307326773 345973599 /nfs/dbraw/zinc/97/35/99/345973599.db2.gz JFUUTWOZIPSBFL-SECBINFHSA-N 0 3 196.319 2.173 10 0 AEAEHN Cc1nc([C@@H](N)[C@@H]2CC2(C)C)cs1 307327193 345973824 /nfs/dbraw/zinc/97/38/24/345973824.db2.gz JJVJRVKISYMQGP-CBAPKCEASA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1nc([C@@H](N)[C@H]2CC2(C)C)cs1 307327171 345973957 /nfs/dbraw/zinc/97/39/57/345973957.db2.gz JJVJRVKISYMQGP-APPZFPTMSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1nc([C@H](N)[C@H]2CC2(C)C)cs1 307327232 345973990 /nfs/dbraw/zinc/97/39/90/345973990.db2.gz JJVJRVKISYMQGP-VXNVDRBHSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1nc([C@H](N)[C@@H]2CC2(C)C)cs1 307327211 345974034 /nfs/dbraw/zinc/97/40/34/345974034.db2.gz JJVJRVKISYMQGP-IONNQARKSA-N 0 3 196.319 2.497 10 0 AEAEHN N[C@@H](C1=COCC1)c1ccsc1 307331962 345975815 /nfs/dbraw/zinc/97/58/15/345975815.db2.gz ZXIOUYLDTUTRAX-VIFPVBQESA-N 0 3 181.260 2.052 10 0 AEAEHN N[C@H](C1=COCC1)c1ccsc1 307331961 345975905 /nfs/dbraw/zinc/97/59/05/345975905.db2.gz ZXIOUYLDTUTRAX-SECBINFHSA-N 0 3 181.260 2.052 10 0 AEAEHN CC(C)NCc1sccc1F 307333333 345977308 /nfs/dbraw/zinc/97/73/08/345977308.db2.gz APWYZNLOUCFDDU-UHFFFAOYSA-N 0 3 173.256 2.385 10 0 AEAEHN N[C@@H](c1ccco1)C1CC(F)(F)C1 307336015 345978733 /nfs/dbraw/zinc/97/87/33/345978733.db2.gz NJHGVKKQVMVZTD-MRVPVSSYSA-N 0 3 187.189 2.325 10 0 AEAEHN c1cc([C@]2(C3CC3)CCCN2)ns1 307336227 345978778 /nfs/dbraw/zinc/97/87/78/345978778.db2.gz HCWYHTFTKJCVAM-SNVBAGLBSA-N 0 3 194.303 2.132 10 0 AEAEHN c1cc([C@@]2(C3CC3)CCCN2)ns1 307336225 345978916 /nfs/dbraw/zinc/97/89/16/345978916.db2.gz HCWYHTFTKJCVAM-JTQLQIEISA-N 0 3 194.303 2.132 10 0 AEAEHN N[C@H](c1ccco1)C1CC(F)(F)C1 307336016 345979192 /nfs/dbraw/zinc/97/91/92/345979192.db2.gz NJHGVKKQVMVZTD-QMMMGPOBSA-N 0 3 187.189 2.325 10 0 AEAEHN C[C@H]1CC[C@@](F)(c2ccoc2)CN1 307341019 345982075 /nfs/dbraw/zinc/98/20/75/345982075.db2.gz JMEYLZKNACHFRQ-WPRPVWTQSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@H]1CC[C@](F)(c2ccoc2)CN1 307341017 345982289 /nfs/dbraw/zinc/98/22/89/345982289.db2.gz JMEYLZKNACHFRQ-WCBMZHEXSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@@H]1CC[C@@](F)(c2ccoc2)CN1 307341016 345982300 /nfs/dbraw/zinc/98/23/00/345982300.db2.gz JMEYLZKNACHFRQ-SCZZXKLOSA-N 0 3 183.226 2.216 10 0 AEAEHN Cc1cnc([C@H]2NC[C@H]2C2CC2)s1 307341730 345982583 /nfs/dbraw/zinc/98/25/83/345982583.db2.gz VIPCWIBMWDHDMG-IUCAKERBSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1cnc([C@@H]2NC[C@@H]2C2CC2)s1 307341737 345982619 /nfs/dbraw/zinc/98/26/19/345982619.db2.gz VIPCWIBMWDHDMG-RKDXNWHRSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1cnc([C@H]2NC[C@@H]2C2CC2)s1 307341716 345982754 /nfs/dbraw/zinc/98/27/54/345982754.db2.gz VIPCWIBMWDHDMG-BDAKNGLRSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1cnc([C@@H]2NC[C@H]2C2CC2)s1 307341723 345982759 /nfs/dbraw/zinc/98/27/59/345982759.db2.gz VIPCWIBMWDHDMG-DTWKUNHWSA-N 0 3 194.303 2.122 10 0 AEAEHN C[NH2+]Cc1cc([O-])c2ccsc2c1 307350455 345987805 /nfs/dbraw/zinc/98/78/05/345987805.db2.gz PMCTYAPZMIKWPB-UHFFFAOYSA-N 0 3 193.271 2.326 10 0 AEAEHN CCNC1=N[C@H](C(C)(C)C)CS1 307442617 346042762 /nfs/dbraw/zinc/04/27/62/346042762.db2.gz APVJDANVLFPCLP-ZETCQYMHSA-N 0 3 186.324 2.113 10 0 AEAEHN CC(C)C1(NC2=NCCCS2)CC1 307358947 345993235 /nfs/dbraw/zinc/99/32/35/345993235.db2.gz ZVUKCAZUFFOCDC-UHFFFAOYSA-N 0 3 198.335 2.258 10 0 AEAEHN Cc1cnn(C)c1[C@@H](N)[C@@H](C)C(C)C 307359071 345993387 /nfs/dbraw/zinc/99/33/87/345993387.db2.gz BEVIWGOLTFRHFH-UWVGGRQHSA-N 0 3 195.310 2.020 10 0 AEAEHN Cc1cnn(C)c1[C@H](N)[C@@H](C)C(C)C 307359073 345993439 /nfs/dbraw/zinc/99/34/39/345993439.db2.gz BEVIWGOLTFRHFH-VHSXEESVSA-N 0 3 195.310 2.020 10 0 AEAEHN Cc1cnn(C)c1[C@@H](N)[C@H](C)C(C)C 307359074 345993464 /nfs/dbraw/zinc/99/34/64/345993464.db2.gz BEVIWGOLTFRHFH-ZJUUUORDSA-N 0 3 195.310 2.020 10 0 AEAEHN Cc1cnn(C)c1[C@H](N)[C@H](C)C(C)C 307359070 345993501 /nfs/dbraw/zinc/99/35/01/345993501.db2.gz BEVIWGOLTFRHFH-NXEZZACHSA-N 0 3 195.310 2.020 10 0 AEAEHN CC[C@@H]1N=C(N[C@@H]2C[C@@H]2C)S[C@H]1C 307362355 345994898 /nfs/dbraw/zinc/99/48/98/345994898.db2.gz INJBCTVMZNDDQF-XSPKLOCKSA-N 0 3 198.335 2.254 10 0 AEAEHN Cc1cnccc1CN[C@@H]1CC1(C)C 307361903 345994918 /nfs/dbraw/zinc/99/49/18/345994918.db2.gz FNXTYGVVTJQGTP-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN CC[C@@H]1N=C(N[C@@H]2C[C@H]2C)S[C@H]1C 307362353 345994951 /nfs/dbraw/zinc/99/49/51/345994951.db2.gz INJBCTVMZNDDQF-RYPBNFRJSA-N 0 3 198.335 2.254 10 0 AEAEHN CC(C)C1(NC2=N[C@H](C)CS2)CC1 307362094 345995032 /nfs/dbraw/zinc/99/50/32/345995032.db2.gz IHYBELAVLAAHCI-MRVPVSSYSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@@H]1N=C(N[C@@H]2C[C@H]2C)S[C@@H]1C 307362351 345995040 /nfs/dbraw/zinc/99/50/40/345995040.db2.gz INJBCTVMZNDDQF-LURQLKTLSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@@H]1N=C(N[C@@H]2C[C@@H]2C)S[C@@H]1C 307362354 345995091 /nfs/dbraw/zinc/99/50/91/345995091.db2.gz INJBCTVMZNDDQF-UYXSQOIJSA-N 0 3 198.335 2.254 10 0 AEAEHN CC(C)C1(NC2=N[C@@H](C)CS2)CC1 307362095 345995291 /nfs/dbraw/zinc/99/52/91/345995291.db2.gz IHYBELAVLAAHCI-QMMMGPOBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H]1SC(NC2CC2)=N[C@H]1C 307364355 345996110 /nfs/dbraw/zinc/99/61/10/345996110.db2.gz KTHKUQKVWHSFPV-POYBYMJQSA-N 0 3 184.308 2.008 10 0 AEAEHN CC[C@@H]1SC(NC2CC2)=N[C@H]1C 307364357 345996305 /nfs/dbraw/zinc/99/63/05/345996305.db2.gz KTHKUQKVWHSFPV-XPUUQOCRSA-N 0 3 184.308 2.008 10 0 AEAEHN CC[C@H]1SC(NC2CC2)=N[C@@H]1C 307364354 345996309 /nfs/dbraw/zinc/99/63/09/345996309.db2.gz KTHKUQKVWHSFPV-HTRCEHHLSA-N 0 3 184.308 2.008 10 0 AEAEHN CC[C@@H]1SC(NC2CC2)=N[C@@H]1C 307364356 345996372 /nfs/dbraw/zinc/99/63/72/345996372.db2.gz KTHKUQKVWHSFPV-SVRRBLITSA-N 0 3 184.308 2.008 10 0 AEAEHN C[C@@H]1CSC[C@@H]1Nc1ccncc1 307366924 345998021 /nfs/dbraw/zinc/99/80/21/345998021.db2.gz NUBAQCMGXIMKED-SCZZXKLOSA-N 0 3 194.303 2.245 10 0 AEAEHN C[C@H]1CSC[C@H]1Nc1ccncc1 307366925 345998024 /nfs/dbraw/zinc/99/80/24/345998024.db2.gz NUBAQCMGXIMKED-WCBMZHEXSA-N 0 3 194.303 2.245 10 0 AEAEHN C[C@@H]1CSC[C@H]1Nc1ccncc1 307366923 345998066 /nfs/dbraw/zinc/99/80/66/345998066.db2.gz NUBAQCMGXIMKED-PSASIEDQSA-N 0 3 194.303 2.245 10 0 AEAEHN C[C@H]1CSC[C@@H]1Nc1ccncc1 307366926 345998071 /nfs/dbraw/zinc/99/80/71/345998071.db2.gz NUBAQCMGXIMKED-WPRPVWTQSA-N 0 3 194.303 2.245 10 0 AEAEHN CCC1(NC2=N[C@H](C)CS2)CC1 307367708 345998497 /nfs/dbraw/zinc/99/84/97/345998497.db2.gz PBWVMXXMIYOQEZ-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN CCC1(NC2=N[C@@H](C)CS2)CC1 307367709 345998609 /nfs/dbraw/zinc/99/86/09/345998609.db2.gz PBWVMXXMIYOQEZ-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN C1CN[C@H](CCC2CC2)SC1 307368201 345998905 /nfs/dbraw/zinc/99/89/05/345998905.db2.gz PPJCERJILUNQSR-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN C1CN[C@@H](CCC2CC2)SC1 307368193 345998948 /nfs/dbraw/zinc/99/89/48/345998948.db2.gz PPJCERJILUNQSR-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN Cc1cocc1[C@H](F)C(C)(C)N 307373156 346002038 /nfs/dbraw/zinc/00/20/38/346002038.db2.gz ROKMTFSOARGFMO-QMMMGPOBSA-N 0 3 171.215 2.336 10 0 AEAEHN CCC1(Nc2ccncc2)CC1 307373428 346002150 /nfs/dbraw/zinc/00/21/50/346002150.db2.gz WOZINTXQDGENSO-UHFFFAOYSA-N 0 3 162.236 2.436 10 0 AEAEHN Cc1cocc1[C@@H](F)C(C)(C)N 307373155 346002177 /nfs/dbraw/zinc/00/21/77/346002177.db2.gz ROKMTFSOARGFMO-MRVPVSSYSA-N 0 3 171.215 2.336 10 0 AEAEHN Cc1ccoc1CN[C@H]1C[C@@H]2C[C@@H]2C1 307375332 346003318 /nfs/dbraw/zinc/00/33/18/346003318.db2.gz UNGMZMPBQXFDNY-JGPRNRPPSA-N 0 3 191.274 2.476 10 0 AEAEHN CC(C)C1(NC2=NC[C@H](C)S2)CC1 307376171 346003776 /nfs/dbraw/zinc/00/37/76/346003776.db2.gz BIJLQIGTQXKGLE-QMMMGPOBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)C1(NC2=NC[C@@H](C)S2)CC1 307376168 346003922 /nfs/dbraw/zinc/00/39/22/346003922.db2.gz BIJLQIGTQXKGLE-MRVPVSSYSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)c1cccc(F)c1CN 307379719 346005249 /nfs/dbraw/zinc/00/52/49/346005249.db2.gz DXHDCXPQBTVYJX-UHFFFAOYSA-N 0 3 167.227 2.408 10 0 AEAEHN C[C@@H]1N=C(N[C@@H]2CC2(C)C)S[C@H]1C 307380500 346005804 /nfs/dbraw/zinc/00/58/04/346005804.db2.gz FOUGQFXGRZWELS-BIIVOSGPSA-N 0 3 198.335 2.254 10 0 AEAEHN CC[C@]1(C)C[C@H]1Nc1nccn1C 307381036 346005813 /nfs/dbraw/zinc/00/58/13/346005813.db2.gz YSVYKIZNWSZQBM-PSASIEDQSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@@H]1N=C(N[C@@H]2CC2(C)C)S[C@@H]1C 307380503 346005834 /nfs/dbraw/zinc/00/58/34/346005834.db2.gz FOUGQFXGRZWELS-XLPZGREQSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1N=C(N[C@H]2CC2(C)C)S[C@@H]1C 307380502 346005999 /nfs/dbraw/zinc/00/59/99/346005999.db2.gz FOUGQFXGRZWELS-RNJXMRFFSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1N=C(N[C@H]2CC2(C)C)S[C@H]1C 307380501 346006032 /nfs/dbraw/zinc/00/60/32/346006032.db2.gz FOUGQFXGRZWELS-FXQIFTODSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1CNC2(CC(C)(C)C2)S1 307381900 346006310 /nfs/dbraw/zinc/00/63/10/346006310.db2.gz HGJHOGJHGGRMAY-SSDOTTSWSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1C[C@H](NC/C=C/Cl)CS1 307381796 346006325 /nfs/dbraw/zinc/00/63/25/346006325.db2.gz ZMYDQELYZXEVEX-HZIBQTDNSA-N 0 3 191.727 2.223 10 0 AEAEHN C[C@H]1CNC2(CC(C)(C)C2)S1 307381901 346006489 /nfs/dbraw/zinc/00/64/89/346006489.db2.gz HGJHOGJHGGRMAY-ZETCQYMHSA-N 0 3 171.309 2.228 10 0 AEAEHN NCc1c(F)cc(C(F)F)cc1F 307381042 346006517 /nfs/dbraw/zinc/00/65/17/346006517.db2.gz YSXIZMLRIJEXQD-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CC[C@]1(C)C[C@@H]1Nc1nccn1C 307381038 346006529 /nfs/dbraw/zinc/00/65/29/346006529.db2.gz YSVYKIZNWSZQBM-WCBMZHEXSA-N 0 3 179.267 2.021 10 0 AEAEHN CC[C@@]1(C)C[C@@H]1Nc1nccn1C 307381040 346006588 /nfs/dbraw/zinc/00/65/88/346006588.db2.gz YSVYKIZNWSZQBM-WPRPVWTQSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@H]1C[C@@H](NC/C=C/Cl)CS1 307381797 346006599 /nfs/dbraw/zinc/00/65/99/346006599.db2.gz ZMYDQELYZXEVEX-RIAPOHOLSA-N 0 3 191.727 2.223 10 0 AEAEHN F[C@H]1CC[C@H](Nc2ccncc2)C1 307387530 346010047 /nfs/dbraw/zinc/01/00/47/346010047.db2.gz DAJWWRFDAALYHU-WPRPVWTQSA-N 0 3 180.226 2.384 10 0 AEAEHN F[C@@H]1CC[C@@H](Nc2ccncc2)C1 307387524 346010264 /nfs/dbraw/zinc/01/02/64/346010264.db2.gz DAJWWRFDAALYHU-PSASIEDQSA-N 0 3 180.226 2.384 10 0 AEAEHN F[C@H]1CC[C@@H](Nc2ccncc2)C1 307387528 346010269 /nfs/dbraw/zinc/01/02/69/346010269.db2.gz DAJWWRFDAALYHU-WCBMZHEXSA-N 0 3 180.226 2.384 10 0 AEAEHN F[C@@H]1CC[C@H](Nc2ccncc2)C1 307387526 346010310 /nfs/dbraw/zinc/01/03/10/346010310.db2.gz DAJWWRFDAALYHU-SCZZXKLOSA-N 0 3 180.226 2.384 10 0 AEAEHN Cc1cc(C)nc([C@@H](N)C2CC2)c1 307388175 346010475 /nfs/dbraw/zinc/01/04/75/346010475.db2.gz NTNKBUNBIJGEHJ-NSHDSACASA-N 0 3 176.263 2.108 10 0 AEAEHN Cc1cc(C)nc([C@H](N)C2CC2)c1 307388174 346010810 /nfs/dbraw/zinc/01/08/10/346010810.db2.gz NTNKBUNBIJGEHJ-LLVKDONJSA-N 0 3 176.263 2.108 10 0 AEAEHN CCc1cnc([C@H]2NCC2(C)C)s1 307389335 346011181 /nfs/dbraw/zinc/01/11/81/346011181.db2.gz QIPOBGIEQKNJEY-MRVPVSSYSA-N 0 3 196.319 2.376 10 0 AEAEHN CCc1cnc([C@@H]2NCC2(C)C)s1 307389336 346011419 /nfs/dbraw/zinc/01/14/19/346011419.db2.gz QIPOBGIEQKNJEY-QMMMGPOBSA-N 0 3 196.319 2.376 10 0 AEAEHN NCc1c(F)cccc1C1CC1 307391301 346012462 /nfs/dbraw/zinc/01/24/62/346012462.db2.gz VVBKMEWQRUYJEP-UHFFFAOYSA-N 0 3 165.211 2.162 10 0 AEAEHN Cn1cnc([C@H](N)CC2(C)CCC2)c1 307392856 346012985 /nfs/dbraw/zinc/01/29/85/346012985.db2.gz LJHJHXKQRUIIJG-SECBINFHSA-N 0 3 193.294 2.000 10 0 AEAEHN Cn1cnc([C@@H](N)CC2(C)CCC2)c1 307392860 346013133 /nfs/dbraw/zinc/01/31/33/346013133.db2.gz LJHJHXKQRUIIJG-VIFPVBQESA-N 0 3 193.294 2.000 10 0 AEAEHN C[C@]1([C@H](N)c2ccoc2)C[C@@H]1F 307395085 346014557 /nfs/dbraw/zinc/01/45/57/346014557.db2.gz OLQIZIMUTDRUEP-YIZRAAEISA-N 0 3 169.199 2.028 10 0 AEAEHN C[C@]1([C@@H](N)c2ccoc2)C[C@@H]1F 307395082 346014668 /nfs/dbraw/zinc/01/46/68/346014668.db2.gz OLQIZIMUTDRUEP-CIUDSAMLSA-N 0 3 169.199 2.028 10 0 AEAEHN C[C@]1([C@@H](N)c2ccoc2)C[C@H]1F 307395084 346014698 /nfs/dbraw/zinc/01/46/98/346014698.db2.gz OLQIZIMUTDRUEP-VGMNWLOBSA-N 0 3 169.199 2.028 10 0 AEAEHN C[C@]1([C@H](N)c2ccoc2)C[C@H]1F 307395083 346014849 /nfs/dbraw/zinc/01/48/49/346014849.db2.gz OLQIZIMUTDRUEP-HLTSFMKQSA-N 0 3 169.199 2.028 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccc(C)cn1 307395501 346015227 /nfs/dbraw/zinc/01/52/27/346015227.db2.gz PEPLMBWYJIMNMM-SNVBAGLBSA-N 0 3 176.263 2.356 10 0 AEAEHN Cc1cc([C@H]2CNC[C@H](C)O2)cs1 307395734 346015288 /nfs/dbraw/zinc/01/52/88/346015288.db2.gz NTYGIMKWHVRLKT-OIBJUYFYSA-N 0 3 197.303 2.106 10 0 AEAEHN CC(C)=C[C@H](N)c1ccc(C)cn1 307395500 346015303 /nfs/dbraw/zinc/01/53/03/346015303.db2.gz PEPLMBWYJIMNMM-JTQLQIEISA-N 0 3 176.263 2.356 10 0 AEAEHN Cc1cc([C@H]2CNC[C@@H](C)O2)cs1 307395733 346015322 /nfs/dbraw/zinc/01/53/22/346015322.db2.gz NTYGIMKWHVRLKT-GMSGAONNSA-N 0 3 197.303 2.106 10 0 AEAEHN CC1(NCc2cccc(N)c2F)CC1 307395700 346015382 /nfs/dbraw/zinc/01/53/82/346015382.db2.gz IDBHGBKEPOFPSX-UHFFFAOYSA-N 0 3 194.253 2.050 10 0 AEAEHN Cc1cc([C@@H]2CNC[C@H](C)O2)cs1 307395736 346015386 /nfs/dbraw/zinc/01/53/86/346015386.db2.gz NTYGIMKWHVRLKT-XVKPBYJWSA-N 0 3 197.303 2.106 10 0 AEAEHN Cc1cc([C@@H]2CNC[C@@H](C)O2)cs1 307395735 346015392 /nfs/dbraw/zinc/01/53/92/346015392.db2.gz NTYGIMKWHVRLKT-XCBNKYQSSA-N 0 3 197.303 2.106 10 0 AEAEHN Nc1ccncc1CC1=CCCC1 307396752 346015908 /nfs/dbraw/zinc/01/59/08/346015908.db2.gz SSGLPIQIPDRPCI-UHFFFAOYSA-N 0 3 174.247 2.317 10 0 AEAEHN Cc1cc2c(CN)coc2cc1F 307398999 346017951 /nfs/dbraw/zinc/01/79/51/346017951.db2.gz ZXWZRYOBUHRTBH-UHFFFAOYSA-N 0 3 179.194 2.339 10 0 AEAEHN C[C@@H]1NC[C@@H](c2ccsc2)O[C@@H]1C 307405117 346022332 /nfs/dbraw/zinc/02/23/32/346022332.db2.gz CVJHFVLKWJTCOA-XKSSXDPKSA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@@H](c2ccsc2)O[C@H]1C 307405113 346022516 /nfs/dbraw/zinc/02/25/16/346022516.db2.gz CVJHFVLKWJTCOA-NRPADANISA-N 0 3 197.303 2.186 10 0 AEAEHN C[C@@H]1NC[C@H](c2ccsc2)O[C@@H]1C 307405116 346022585 /nfs/dbraw/zinc/02/25/85/346022585.db2.gz CVJHFVLKWJTCOA-QXFUBDJGSA-N 0 3 197.303 2.186 10 0 AEAEHN Cc1ncc([C@@H]2NCC2(C)C)s1 307406069 346023085 /nfs/dbraw/zinc/02/30/85/346023085.db2.gz CXKSPQQTOHMUST-QMMMGPOBSA-N 0 3 182.292 2.122 10 0 AEAEHN Cc1ncc([C@H]2NCC2(C)C)s1 307406067 346023103 /nfs/dbraw/zinc/02/31/03/346023103.db2.gz CXKSPQQTOHMUST-MRVPVSSYSA-N 0 3 182.292 2.122 10 0 AEAEHN CC[C@@]1(C)CN[C@@H]1c1cncs1 307410970 346026763 /nfs/dbraw/zinc/02/67/63/346026763.db2.gz JTLQNIDCRCYODK-BDAKNGLRSA-N 0 3 182.292 2.204 10 0 AEAEHN CC[C@@]1(C)CN[C@H]1c1cncs1 307410972 346026769 /nfs/dbraw/zinc/02/67/69/346026769.db2.gz JTLQNIDCRCYODK-IUCAKERBSA-N 0 3 182.292 2.204 10 0 AEAEHN CC[C@]1(C)CN[C@@H]1c1cncs1 307410974 346026872 /nfs/dbraw/zinc/02/68/72/346026872.db2.gz JTLQNIDCRCYODK-RKDXNWHRSA-N 0 3 182.292 2.204 10 0 AEAEHN CC[C@]1(C)CN[C@H]1c1cncs1 307410971 346026918 /nfs/dbraw/zinc/02/69/18/346026918.db2.gz JTLQNIDCRCYODK-DTWKUNHWSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@H]1CSC[C@H]1NC/C=C/Cl 307413774 346027984 /nfs/dbraw/zinc/02/79/84/346027984.db2.gz SIMAVUIFJPWRFW-RIAPOHOLSA-N 0 3 191.727 2.080 10 0 AEAEHN C[C@H]1CSC[C@@H]1NC/C=C/Cl 307413772 346028133 /nfs/dbraw/zinc/02/81/33/346028133.db2.gz SIMAVUIFJPWRFW-HZIBQTDNSA-N 0 3 191.727 2.080 10 0 AEAEHN Cc1ccoc1[C@H]1NC[C@H]1C1CC1 307414781 346029102 /nfs/dbraw/zinc/02/91/02/346029102.db2.gz MIIKWABAOASWDQ-UWVGGRQHSA-N 0 3 177.247 2.259 10 0 AEAEHN Cc1ccoc1[C@@H]1NC[C@@H]1C1CC1 307414780 346029120 /nfs/dbraw/zinc/02/91/20/346029120.db2.gz MIIKWABAOASWDQ-NXEZZACHSA-N 0 3 177.247 2.259 10 0 AEAEHN Cc1ccoc1[C@@H]1NC[C@H]1C1CC1 307414782 346029176 /nfs/dbraw/zinc/02/91/76/346029176.db2.gz MIIKWABAOASWDQ-VHSXEESVSA-N 0 3 177.247 2.259 10 0 AEAEHN Cc1ccoc1[C@H]1NC[C@@H]1C1CC1 307414783 346029183 /nfs/dbraw/zinc/02/91/83/346029183.db2.gz MIIKWABAOASWDQ-ZJUUUORDSA-N 0 3 177.247 2.259 10 0 AEAEHN CC(C)C(N)(C(C)C)C(F)F 307420864 346032205 /nfs/dbraw/zinc/03/22/05/346032205.db2.gz RBMGZWJNLRAIIT-UHFFFAOYSA-N 0 3 165.227 2.261 10 0 AEAEHN CC[C@]1(C)CN[C@@H]1c1ccoc1 307422791 346032477 /nfs/dbraw/zinc/03/24/77/346032477.db2.gz UBYCMNWGELMAMP-NXEZZACHSA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@@]1(C)CN[C@@H]1c1ccoc1 307423226 346033011 /nfs/dbraw/zinc/03/30/11/346033011.db2.gz UBYCMNWGELMAMP-ZJUUUORDSA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@]1(C)CN[C@H]1c1ccoc1 307423224 346033224 /nfs/dbraw/zinc/03/32/24/346033224.db2.gz UBYCMNWGELMAMP-VHSXEESVSA-N 0 3 165.236 2.340 10 0 AEAEHN CC[C@@]1(C)CN[C@H]1c1ccoc1 307423221 346033347 /nfs/dbraw/zinc/03/33/47/346033347.db2.gz UBYCMNWGELMAMP-UWVGGRQHSA-N 0 3 165.236 2.340 10 0 AEAEHN C=Cc1cc(CNC)cs1 307427340 346034587 /nfs/dbraw/zinc/03/45/87/346034587.db2.gz SCYOLFOJIMYXEC-UHFFFAOYSA-N 0 3 153.250 2.111 10 0 AEAEHN Cc1cc([C@H](N)C2(C)CC2)sn1 307426976 346034624 /nfs/dbraw/zinc/03/46/24/346034624.db2.gz QAKHBJGPQORKSV-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1cc([C@@H](N)C2(C)CC2)sn1 307426975 346034766 /nfs/dbraw/zinc/03/47/66/346034766.db2.gz QAKHBJGPQORKSV-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1cccc(NCCN2CCC2)c1 307429921 346035799 /nfs/dbraw/zinc/03/57/99/346035799.db2.gz VCBYYSWGRBEVGK-UHFFFAOYSA-N 0 3 190.290 2.113 10 0 AEAEHN CCNC1=N[C@@H](C(C)(C)C)CS1 307442611 346042850 /nfs/dbraw/zinc/04/28/50/346042850.db2.gz APVJDANVLFPCLP-SSDOTTSWSA-N 0 3 186.324 2.113 10 0 AEAEHN C[C@](F)([C@H]1CCCN1)C(F)(F)F 307444975 346044420 /nfs/dbraw/zinc/04/44/20/346044420.db2.gz FAGXVXRQSLHBJT-RITPCOANSA-N 0 3 185.164 2.029 10 0 AEAEHN C[C@](F)([C@@H]1CCCN1)C(F)(F)F 307444977 346044458 /nfs/dbraw/zinc/04/44/58/346044458.db2.gz FAGXVXRQSLHBJT-WDSKDSINSA-N 0 3 185.164 2.029 10 0 AEAEHN C[C@@](F)([C@@H]1CCCN1)C(F)(F)F 307444971 346044543 /nfs/dbraw/zinc/04/45/43/346044543.db2.gz FAGXVXRQSLHBJT-NTSWFWBYSA-N 0 3 185.164 2.029 10 0 AEAEHN C[C@@](F)([C@H]1CCCN1)C(F)(F)F 307444973 346044548 /nfs/dbraw/zinc/04/45/48/346044548.db2.gz FAGXVXRQSLHBJT-PHDIDXHHSA-N 0 3 185.164 2.029 10 0 AEAEHN NCc1c(F)ccc(F)c1C(F)F 307449197 346047189 /nfs/dbraw/zinc/04/71/89/346047189.db2.gz NHCGEHRLAZRMTR-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN C[C@H](N)c1cc(F)ccc1N1CCC1 307449797 346047743 /nfs/dbraw/zinc/04/77/43/346047743.db2.gz NAGMOWOJDANNQR-QMMMGPOBSA-N 0 3 194.253 2.056 10 0 AEAEHN CCN1CC[C@@H](Nc2ccsc2)C1 307451171 346048099 /nfs/dbraw/zinc/04/80/99/346048099.db2.gz RLCBXLJGCREVJB-SECBINFHSA-N 0 3 196.319 2.254 10 0 AEAEHN CCN1CC[C@H](Nc2ccsc2)C1 307451172 346048234 /nfs/dbraw/zinc/04/82/34/346048234.db2.gz RLCBXLJGCREVJB-VIFPVBQESA-N 0 3 196.319 2.254 10 0 AEAEHN NCc1c(C(F)F)ccc(F)c1F 307451546 346048262 /nfs/dbraw/zinc/04/82/62/346048262.db2.gz QKTZAKKKTVZCMV-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CC[C@H]1CCN1Cc1cccnc1 307452256 346048737 /nfs/dbraw/zinc/04/87/37/346048737.db2.gz STYBLMQXGZCFLK-NSHDSACASA-N 0 3 176.263 2.066 10 0 AEAEHN CC[C@@H]1CCN1Cc1cccnc1 307452255 346048884 /nfs/dbraw/zinc/04/88/84/346048884.db2.gz STYBLMQXGZCFLK-LLVKDONJSA-N 0 3 176.263 2.066 10 0 AEAEHN c1ncc([C@@H]2NCC23CCCC3)s1 307453428 346049196 /nfs/dbraw/zinc/04/91/96/346049196.db2.gz UZTLKYGPGNXGFZ-VIFPVBQESA-N 0 3 194.303 2.348 10 0 AEAEHN c1ncc([C@H]2NCC23CCCC3)s1 307453427 346049425 /nfs/dbraw/zinc/04/94/25/346049425.db2.gz UZTLKYGPGNXGFZ-SECBINFHSA-N 0 3 194.303 2.348 10 0 AEAEHN C[C@@H]1SC(N[C@H]2CC[C@H]2C)=N[C@@H]1C 307453976 346049776 /nfs/dbraw/zinc/04/97/76/346049776.db2.gz VVXLRPLUEIZTSD-HXFLIBJXSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1N=C(N[C@H]2CC[C@H]2C)S[C@H]1C 307453978 346050035 /nfs/dbraw/zinc/05/00/35/346050035.db2.gz VVXLRPLUEIZTSD-XGEHTFHBSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1N=C(N[C@H]2CC[C@H]2C)S[C@@H]1C 307453977 346049984 /nfs/dbraw/zinc/04/99/84/346049984.db2.gz VVXLRPLUEIZTSD-XAVMHZPKSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1CC[C@@H]1NC1=N[C@H](C)[C@@H](C)S1 307453975 346050020 /nfs/dbraw/zinc/05/00/20/346050020.db2.gz VVXLRPLUEIZTSD-BGZDPUMWSA-N 0 3 198.335 2.254 10 0 AEAEHN C[C@@H]1NCCC[C@]1(F)c1ccoc1 307468023 346058258 /nfs/dbraw/zinc/05/82/58/346058258.db2.gz LXRPXDXIDFLAIT-WCBMZHEXSA-N 0 3 183.226 2.216 10 0 AEAEHN NCc1cc(-c2cscn2)cs1 307466273 346057608 /nfs/dbraw/zinc/05/76/08/346057608.db2.gz DRFHAADFJSSPOH-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN C[C@H]1NCCC[C@@]1(F)c1ccoc1 307468022 346058276 /nfs/dbraw/zinc/05/82/76/346058276.db2.gz LXRPXDXIDFLAIT-SCZZXKLOSA-N 0 3 183.226 2.216 10 0 AEAEHN C[C@H]1NCCC[C@]1(F)c1ccoc1 307468021 346058363 /nfs/dbraw/zinc/05/83/63/346058363.db2.gz LXRPXDXIDFLAIT-PSASIEDQSA-N 0 3 183.226 2.216 10 0 AEAEHN NC1(c2nccc3ccsc23)CC1 307470495 346059995 /nfs/dbraw/zinc/05/99/95/346059995.db2.gz VQOCBKFHSILFTI-UHFFFAOYSA-N 0 3 190.271 2.244 10 0 AEAEHN CNCc1cscc1C(F)(F)F 307472598 346060826 /nfs/dbraw/zinc/06/08/26/346060826.db2.gz UAVUKOWTYGYFPX-UHFFFAOYSA-N 0 3 195.209 2.486 10 0 AEAEHN Cc1nc([C@H]2NC[C@H]2C2CC2)cs1 307473113 346061518 /nfs/dbraw/zinc/06/15/18/346061518.db2.gz UWCRHJVBYIEOFT-WPRPVWTQSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1nc([C@@H]2NC[C@H]2C2CC2)cs1 307473112 346061544 /nfs/dbraw/zinc/06/15/44/346061544.db2.gz UWCRHJVBYIEOFT-WCBMZHEXSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1nc([C@@H]2NC[C@@H]2C2CC2)cs1 307473105 346061772 /nfs/dbraw/zinc/06/17/72/346061772.db2.gz UWCRHJVBYIEOFT-PSASIEDQSA-N 0 3 194.303 2.122 10 0 AEAEHN Cc1nc([C@H]2NC[C@@H]2C2CC2)cs1 307473111 346061824 /nfs/dbraw/zinc/06/18/24/346061824.db2.gz UWCRHJVBYIEOFT-SCZZXKLOSA-N 0 3 194.303 2.122 10 0 AEAEHN CCNC(=N)c1ccc(Cl)s1 307476045 346063713 /nfs/dbraw/zinc/06/37/13/346063713.db2.gz CAJIVHZQWTXNMR-UHFFFAOYSA-N 0 3 188.683 2.336 10 0 AEAEHN C[C@H]1C[C@@H](NC2=NC[C@@H](C)S2)[C@H]1C 307478188 346064616 /nfs/dbraw/zinc/06/46/16/346064616.db2.gz DVDCLVXRDMJXIJ-UYXSQOIJSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@@H](C=C1CNC1)c1ccccc1 307477804 346064665 /nfs/dbraw/zinc/06/46/65/346064665.db2.gz DLRYLIGBXBHUOE-JTQLQIEISA-N 0 3 173.259 2.320 10 0 AEAEHN C[C@H]1[C@H](C)C[C@H]1NC1=NC[C@@H](C)S1 307478187 346064707 /nfs/dbraw/zinc/06/47/07/346064707.db2.gz DVDCLVXRDMJXIJ-LURQLKTLSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@H]1C[C@@H](NC2=NC[C@@H](C)S2)[C@@H]1C 307478186 346064764 /nfs/dbraw/zinc/06/47/64/346064764.db2.gz DVDCLVXRDMJXIJ-JQCXWYLXSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@H](C=C1CNC1)c1ccccc1 307477805 346064825 /nfs/dbraw/zinc/06/48/25/346064825.db2.gz DLRYLIGBXBHUOE-SNVBAGLBSA-N 0 3 173.259 2.320 10 0 AEAEHN C[C@@H]1CN=C(N[C@@H]2C[C@@H](C)[C@H]2C)S1 307478185 346064830 /nfs/dbraw/zinc/06/48/30/346064830.db2.gz DVDCLVXRDMJXIJ-FNCVBFRFSA-N 0 3 198.335 2.112 10 0 AEAEHN Cc1cc(C=C2CNC2)cs1 307481229 346066318 /nfs/dbraw/zinc/06/63/18/346066318.db2.gz XUXOXDZEQOELHW-UHFFFAOYSA-N 0 3 165.261 2.043 10 0 AEAEHN NCc1c(Cl)cccc1N1CCC1 307489177 346070611 /nfs/dbraw/zinc/07/06/11/346070611.db2.gz XDMRFYRETWVJEZ-UHFFFAOYSA-N 0 3 196.681 2.009 10 0 AEAEHN c1nocc1CN1CCCCCC1 307489452 346071143 /nfs/dbraw/zinc/07/11/43/346071143.db2.gz OWXHRYCARWEZBH-UHFFFAOYSA-N 0 3 180.251 2.051 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccns1 307491075 346071616 /nfs/dbraw/zinc/07/16/16/346071616.db2.gz GGAKTOFNYKFRKV-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN CC(C)(C)[C@H](N)c1ccns1 307491073 346071741 /nfs/dbraw/zinc/07/17/41/346071741.db2.gz GGAKTOFNYKFRKV-SSDOTTSWSA-N 0 3 170.281 2.189 10 0 AEAEHN FC1(F)CCCC[C@H]1C=C1CNC1 307495046 346073946 /nfs/dbraw/zinc/07/39/46/346073946.db2.gz IEDIMMRVEWLCNO-VIFPVBQESA-N 0 3 187.233 2.342 10 0 AEAEHN FC1(F)CCCC[C@@H]1C=C1CNC1 307495044 346074155 /nfs/dbraw/zinc/07/41/55/346074155.db2.gz IEDIMMRVEWLCNO-SECBINFHSA-N 0 3 187.233 2.342 10 0 AEAEHN Cc1ccc([C@H]2NCC23CCC3)o1 307498470 346075804 /nfs/dbraw/zinc/07/58/04/346075804.db2.gz KKZDVFQDEORPNG-SNVBAGLBSA-N 0 3 177.247 2.403 10 0 AEAEHN Cc1nc([C@@H](F)C(C)(C)N)cs1 307498240 346075823 /nfs/dbraw/zinc/07/58/23/346075823.db2.gz GVXIWBILNZQCKV-SSDOTTSWSA-N 0 3 188.271 2.199 10 0 AEAEHN Cc1ccc([C@@H]2NCC23CCC3)o1 307498468 346075860 /nfs/dbraw/zinc/07/58/60/346075860.db2.gz KKZDVFQDEORPNG-JTQLQIEISA-N 0 3 177.247 2.403 10 0 AEAEHN Cc1nc([C@H](F)C(C)(C)N)cs1 307498265 346075923 /nfs/dbraw/zinc/07/59/23/346075923.db2.gz GVXIWBILNZQCKV-ZETCQYMHSA-N 0 3 188.271 2.199 10 0 AEAEHN Cc1cc([C@@H](N)CC2CC2)sn1 307502729 346078271 /nfs/dbraw/zinc/07/82/71/346078271.db2.gz ODRBJJDYYBTGJB-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN C1CCC(CSC2=NCCN2)CC1 307506949 346080459 /nfs/dbraw/zinc/08/04/59/346080459.db2.gz RTNIDLQNBGVKEK-UHFFFAOYSA-N 0 3 198.335 2.259 10 0 AEAEHN CC(C)[C@@H](C)[C@@H]1NCCCS1 307507529 346080833 /nfs/dbraw/zinc/08/08/33/346080833.db2.gz ZPOZILAPVSSVKX-RKDXNWHRSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)[C@H](C)[C@@H]1NCCCS1 307507527 346080842 /nfs/dbraw/zinc/08/08/42/346080842.db2.gz ZPOZILAPVSSVKX-DTWKUNHWSA-N 0 3 173.325 2.331 10 0 AEAEHN Cc1cocc1[C@H](N)[C@H]1CCSC1 307508120 346080865 /nfs/dbraw/zinc/08/08/65/346080865.db2.gz UFMSEWBQOQFOOK-WCBMZHEXSA-N 0 3 197.303 2.341 10 0 AEAEHN CC(C)[C@@H](C)[C@H]1NCCCS1 307507526 346080970 /nfs/dbraw/zinc/08/09/70/346080970.db2.gz ZPOZILAPVSSVKX-BDAKNGLRSA-N 0 3 173.325 2.331 10 0 AEAEHN Cc1cocc1[C@@H](N)[C@@H]1CCSC1 307508119 346081032 /nfs/dbraw/zinc/08/10/32/346081032.db2.gz UFMSEWBQOQFOOK-SCZZXKLOSA-N 0 3 197.303 2.341 10 0 AEAEHN CC[C@]1(C)C[C@@H]1NC1=NC[C@@H](C)S1 307509948 346081746 /nfs/dbraw/zinc/08/17/46/346081746.db2.gz VVHKAOIPBJBXTM-KHQFGBGNSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)C[C@H]1NC1=NC[C@@H](C)S1 307509954 346081763 /nfs/dbraw/zinc/08/17/63/346081763.db2.gz VVHKAOIPBJBXTM-NQMVMOMDSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)C[C@H]1NC1=NC[C@H](C)S1 307509965 346081796 /nfs/dbraw/zinc/08/17/96/346081796.db2.gz VVHKAOIPBJBXTM-QXFUBDJGSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)C[C@@H]1NC1=NC[C@H](C)S1 307509959 346082028 /nfs/dbraw/zinc/08/20/28/346082028.db2.gz VVHKAOIPBJBXTM-OYNCUSHFSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@H](C)C[C@@H]1N[C@@H](C)CS1 307510420 346082432 /nfs/dbraw/zinc/08/24/32/346082432.db2.gz BRDVIAFLXXGIID-XHNCKOQMSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H](C)C[C@@H]1N[C@H](C)CS1 307510419 346082313 /nfs/dbraw/zinc/08/23/13/346082313.db2.gz BRDVIAFLXXGIID-DJLDLDEBSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@H](C)C[C@H]1N[C@@H](C)CS1 307510418 346082387 /nfs/dbraw/zinc/08/23/87/346082387.db2.gz BRDVIAFLXXGIID-CIUDSAMLSA-N 0 3 173.325 2.474 10 0 AEAEHN CNCc1cscc1Cl 307510206 346082523 /nfs/dbraw/zinc/08/25/23/346082523.db2.gz KLNUEYJQZKWHJL-UHFFFAOYSA-N 0 3 161.657 2.121 10 0 AEAEHN CC[C@H](C)C[C@H]1N[C@H](C)CS1 307510421 346082631 /nfs/dbraw/zinc/08/26/31/346082631.db2.gz BRDVIAFLXXGIID-YIZRAAEISA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)Sc1cnccc1N 307511649 346083033 /nfs/dbraw/zinc/08/30/33/346083033.db2.gz DKUWFVVBASNRLG-UHFFFAOYSA-N 0 3 168.265 2.164 10 0 AEAEHN NCc1cncc(C2=CCCC2)c1 307513325 346084004 /nfs/dbraw/zinc/08/40/04/346084004.db2.gz YYZWLTGJJBEVBS-UHFFFAOYSA-N 0 3 174.247 2.108 10 0 AEAEHN NCc1cc(F)c(F)cc1C(F)F 307520538 346088950 /nfs/dbraw/zinc/08/89/50/346088950.db2.gz XVHAHVGFSCCBGK-UHFFFAOYSA-N 0 3 193.143 2.361 10 0 AEAEHN CNCc1csc2c1C(C)(C)OC2 307521243 346089636 /nfs/dbraw/zinc/08/96/36/346089636.db2.gz UIFBUPKNYHUPJT-UHFFFAOYSA-N 0 3 197.303 2.233 10 0 AEAEHN CC1(C)CC[C@H]1NC1=NCCCS1 307524026 346090834 /nfs/dbraw/zinc/09/08/34/346090834.db2.gz DLBPEAYSKNVHSO-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN C=Cc1csc([C@H](C)NC)n1 307524060 346090992 /nfs/dbraw/zinc/09/09/92/346090992.db2.gz BEVUNKGCTCCGKA-LURJTMIESA-N 0 3 168.265 2.067 10 0 AEAEHN CC1(C)CC[C@@H]1NC1=NCCCS1 307524028 346091016 /nfs/dbraw/zinc/09/10/16/346091016.db2.gz DLBPEAYSKNVHSO-QMMMGPOBSA-N 0 3 198.335 2.258 10 0 AEAEHN C=Cc1csc([C@@H](C)NC)n1 307524061 346091104 /nfs/dbraw/zinc/09/11/04/346091104.db2.gz BEVUNKGCTCCGKA-ZCFIWIBFSA-N 0 3 168.265 2.067 10 0 AEAEHN CC[C@@H](NC)c1ncc(C)s1 307535761 346097576 /nfs/dbraw/zinc/09/75/76/346097576.db2.gz NRISIEXGTAPABC-SSDOTTSWSA-N 0 3 170.281 2.122 10 0 AEAEHN CC[C@H](NC)c1ncc(C)s1 307535764 346097601 /nfs/dbraw/zinc/09/76/01/346097601.db2.gz NRISIEXGTAPABC-ZETCQYMHSA-N 0 3 170.281 2.122 10 0 AEAEHN CC1=CCN(Cc2cc[nH]c2)CC1 307534940 346097684 /nfs/dbraw/zinc/09/76/84/346097684.db2.gz NFBCGZLCHCCJQV-UHFFFAOYSA-N 0 3 176.263 2.167 10 0 AEAEHN N[C@H](C1=COCC1)c1ccoc1Cl 307537720 346099037 /nfs/dbraw/zinc/09/90/37/346099037.db2.gz RDLCRIFKJPZMLI-MRVPVSSYSA-N 0 3 199.637 2.237 10 0 AEAEHN CC1(C)C[C@@H]1[C@@](C)(N)c1nccs1 307539004 346099506 /nfs/dbraw/zinc/09/95/06/346099506.db2.gz PWEZGSBQXZZGAA-OIBJUYFYSA-N 0 3 196.319 2.363 10 0 AEAEHN CC1(C)C[C@H]1[C@@](C)(N)c1nccs1 307539003 346099592 /nfs/dbraw/zinc/09/95/92/346099592.db2.gz PWEZGSBQXZZGAA-GMSGAONNSA-N 0 3 196.319 2.363 10 0 AEAEHN CC1(C)C[C@@H]1[C@](C)(N)c1nccs1 307539007 346099732 /nfs/dbraw/zinc/09/97/32/346099732.db2.gz PWEZGSBQXZZGAA-XVKPBYJWSA-N 0 3 196.319 2.363 10 0 AEAEHN CC1(C)C[C@H]1[C@](C)(N)c1nccs1 307539005 346099941 /nfs/dbraw/zinc/09/99/41/346099941.db2.gz PWEZGSBQXZZGAA-XCBNKYQSSA-N 0 3 196.319 2.363 10 0 AEAEHN C[C@H]1CC[C@H]1NC1=NC[C@@H](C)CS1 307546246 346104587 /nfs/dbraw/zinc/10/45/87/346104587.db2.gz LRWZWGAUMUCBAD-HRDYMLBCSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1CN=C(N[C@@H]2CC[C@H]2C)SC1 307546252 346104641 /nfs/dbraw/zinc/10/46/41/346104641.db2.gz LRWZWGAUMUCBAD-IWSPIJDZSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@H]1CC[C@@H]1NC1=NC[C@@H](C)CS1 307546258 346104685 /nfs/dbraw/zinc/10/46/85/346104685.db2.gz LRWZWGAUMUCBAD-VGMNWLOBSA-N 0 3 198.335 2.113 10 0 AEAEHN C[C@@H]1CN=C(N[C@H]2CC[C@H]2C)SC1 307546241 346104737 /nfs/dbraw/zinc/10/47/37/346104737.db2.gz LRWZWGAUMUCBAD-HLTSFMKQSA-N 0 3 198.335 2.113 10 0 AEAEHN CC1CCC(C=C2CNC2)CC1 307547212 346105220 /nfs/dbraw/zinc/10/52/20/346105220.db2.gz SODVTGDCENXIAI-UHFFFAOYSA-N 0 3 165.280 2.342 10 0 AEAEHN CCC[C@@H]1CNc2ccncc2N1 307550172 346106666 /nfs/dbraw/zinc/10/66/66/346106666.db2.gz XNAHDNMIHGKYMD-MRVPVSSYSA-N 0 3 177.251 2.088 10 0 AEAEHN CC(C)(C)[C@@H]1CSC(NC2CC2)=N1 307549906 346106725 /nfs/dbraw/zinc/10/67/25/346106725.db2.gz QMVACUYAXOCLDJ-QMMMGPOBSA-N 0 3 198.335 2.256 10 0 AEAEHN CC(C)(C)[C@H]1CSC(NC2CC2)=N1 307549904 346106822 /nfs/dbraw/zinc/10/68/22/346106822.db2.gz QMVACUYAXOCLDJ-MRVPVSSYSA-N 0 3 198.335 2.256 10 0 AEAEHN CCC[C@H]1CNc2ccncc2N1 307550174 346106943 /nfs/dbraw/zinc/10/69/43/346106943.db2.gz XNAHDNMIHGKYMD-QMMMGPOBSA-N 0 3 177.251 2.088 10 0 AEAEHN Cc1noc(C)c1CN[C@@H]1CC[C@H]1C 307551633 346107722 /nfs/dbraw/zinc/10/77/22/346107722.db2.gz TUBKKWBSRKTSGT-RDDDGLTNSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1noc(C)c1CN[C@H]1CC[C@@H]1C 307551630 346107909 /nfs/dbraw/zinc/10/79/09/346107909.db2.gz TUBKKWBSRKTSGT-CPCISQLKSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1noc(C)c1CN[C@@H]1CC[C@@H]1C 307551634 346108072 /nfs/dbraw/zinc/10/80/72/346108072.db2.gz TUBKKWBSRKTSGT-WRWORJQWSA-N 0 3 194.278 2.180 10 0 AEAEHN CC(C)[C@H]1CN[C@@H]1c1nccs1 307554023 346109405 /nfs/dbraw/zinc/10/94/05/346109405.db2.gz WFGMHSRHNUBJJG-SFYZADRCSA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)[C@@H]1CN[C@H]1c1nccs1 307554022 346109440 /nfs/dbraw/zinc/10/94/40/346109440.db2.gz WFGMHSRHNUBJJG-JGVFFNPUSA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)[C@@H]1CN[C@@H]1c1nccs1 307554024 346109451 /nfs/dbraw/zinc/10/94/51/346109451.db2.gz WFGMHSRHNUBJJG-YUMQZZPRSA-N 0 3 182.292 2.060 10 0 AEAEHN Cc1cc([C@@H](N)C2CCC2)sn1 307559850 346112893 /nfs/dbraw/zinc/11/28/93/346112893.db2.gz OVKZQFBDJSIRRS-VIFPVBQESA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1cc([C@H](N)C2CCC2)sn1 307559849 346112901 /nfs/dbraw/zinc/11/29/01/346112901.db2.gz OVKZQFBDJSIRRS-SECBINFHSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1ccc2c(c1F)CN[C@@H](C)C2 307563521 346114441 /nfs/dbraw/zinc/11/44/41/346114441.db2.gz PGIGALIIOXXJSB-QMMMGPOBSA-N 0 3 179.238 2.168 10 0 AEAEHN Cc1ccc2c(c1F)CN[C@H](C)C2 307563520 346114533 /nfs/dbraw/zinc/11/45/33/346114533.db2.gz PGIGALIIOXXJSB-MRVPVSSYSA-N 0 3 179.238 2.168 10 0 AEAEHN Cc1ccsc1-c1cnc(N)n1C 307565398 346115732 /nfs/dbraw/zinc/11/57/32/346115732.db2.gz RJKHVSKZMNSXKX-UHFFFAOYSA-N 0 3 193.275 2.039 10 0 AEAEHN CC1CC(NC2=N[C@@H](C)[C@H](C)S2)C1 307569700 346119053 /nfs/dbraw/zinc/11/90/53/346119053.db2.gz XTFAGDPHIINSSN-QXNPHUFVSA-N 0 3 198.335 2.254 10 0 AEAEHN CC1CC(NC2=N[C@@H](C)[C@@H](C)S2)C1 307569698 346119135 /nfs/dbraw/zinc/11/91/35/346119135.db2.gz XTFAGDPHIINSSN-FDNDLASISA-N 0 3 198.335 2.254 10 0 AEAEHN CC1CC(NC2=N[C@H](C)[C@H](C)S2)C1 307569701 346119171 /nfs/dbraw/zinc/11/91/71/346119171.db2.gz XTFAGDPHIINSSN-VOFUFXJISA-N 0 3 198.335 2.254 10 0 AEAEHN CC1CC(NC2=N[C@H](C)[C@@H](C)S2)C1 307569699 346119312 /nfs/dbraw/zinc/11/93/12/346119312.db2.gz XTFAGDPHIINSSN-OMRMXDSLSA-N 0 3 198.335 2.254 10 0 AEAEHN Cc1ccc(-c2cnc(N)n2C)s1 307572912 346121430 /nfs/dbraw/zinc/12/14/30/346121430.db2.gz FOQNRPWQWQGCNM-UHFFFAOYSA-N 0 3 193.275 2.039 10 0 AEAEHN CC(C)(N)c1nccc2ccsc12 307575058 346123219 /nfs/dbraw/zinc/12/32/19/346123219.db2.gz IHDPQCMRDRGBNG-UHFFFAOYSA-N 0 3 192.287 2.490 10 0 AEAEHN Cc1ccc([C@@H](F)C(C)(C)N)cn1 307581051 346126730 /nfs/dbraw/zinc/12/67/30/346126730.db2.gz ZZCMMXZYXDMVON-SECBINFHSA-N 0 3 182.242 2.138 10 0 AEAEHN Cc1ccc([C@H](F)C(C)(C)N)cn1 307581052 346126740 /nfs/dbraw/zinc/12/67/40/346126740.db2.gz ZZCMMXZYXDMVON-VIFPVBQESA-N 0 3 182.242 2.138 10 0 AEAEHN CC(C)[C@@H]1CN[C@H]1c1ccco1 307584026 346128632 /nfs/dbraw/zinc/12/86/32/346128632.db2.gz GSLIFGITTMIAMY-WCBMZHEXSA-N 0 3 165.236 2.196 10 0 AEAEHN CC(C)[C@@H]1CN[C@@H]1c1ccco1 307584027 346128697 /nfs/dbraw/zinc/12/86/97/346128697.db2.gz GSLIFGITTMIAMY-WPRPVWTQSA-N 0 3 165.236 2.196 10 0 AEAEHN CC(C)[C@H]1CN[C@H]1c1ccco1 307584024 346128799 /nfs/dbraw/zinc/12/87/99/346128799.db2.gz GSLIFGITTMIAMY-PSASIEDQSA-N 0 3 165.236 2.196 10 0 AEAEHN CC(C)[C@H]1CN[C@@H]1c1ccco1 307584025 346128954 /nfs/dbraw/zinc/12/89/54/346128954.db2.gz GSLIFGITTMIAMY-SCZZXKLOSA-N 0 3 165.236 2.196 10 0 AEAEHN CCC1(NC2=N[C@H](C)CCS2)CC1 307585196 346129418 /nfs/dbraw/zinc/12/94/18/346129418.db2.gz KUVDLOLQAVLBGF-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CCC1(NC2=N[C@@H](C)CCS2)CC1 307585197 346129467 /nfs/dbraw/zinc/12/94/67/346129467.db2.gz KUVDLOLQAVLBGF-QMMMGPOBSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@H]1C[C@@]2(N[C@H](C)CS2)[C@@H]1C 307587227 346130788 /nfs/dbraw/zinc/13/07/88/346130788.db2.gz SHSAYMQJXUPMGY-KDXUFGMBSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@H]1C[C@@]2(N[C@H](C)CS2)[C@H]1C 307587228 346130794 /nfs/dbraw/zinc/13/07/94/346130794.db2.gz SHSAYMQJXUPMGY-KZVJFYERSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@H]1[C@H](C)C[C@@]12N[C@H](C)CS2 307587226 346130952 /nfs/dbraw/zinc/13/09/52/346130952.db2.gz SHSAYMQJXUPMGY-HXFLIBJXSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CS[C@]2(C[C@@H](C)[C@H]2C)N1 307587225 346131044 /nfs/dbraw/zinc/13/10/44/346131044.db2.gz SHSAYMQJXUPMGY-BGZDPUMWSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2cscn2)C1 307589221 346131905 /nfs/dbraw/zinc/13/19/05/346131905.db2.gz ZXLUQXQQEQPFBQ-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2cscn2)C1 307589223 346131909 /nfs/dbraw/zinc/13/19/09/346131909.db2.gz ZXLUQXQQEQPFBQ-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2cscn2)C1 307589220 346131959 /nfs/dbraw/zinc/13/19/59/346131959.db2.gz ZXLUQXQQEQPFBQ-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1csc([C@@H]2NC[C@H]2C(C)C)n1 307591561 346133604 /nfs/dbraw/zinc/13/36/04/346133604.db2.gz DMMYEMPHFLNBBJ-DTWKUNHWSA-N 0 3 196.319 2.368 10 0 AEAEHN Cc1csc([C@H]2NC[C@@H]2C(C)C)n1 307591560 346133657 /nfs/dbraw/zinc/13/36/57/346133657.db2.gz DMMYEMPHFLNBBJ-BDAKNGLRSA-N 0 3 196.319 2.368 10 0 AEAEHN Cc1csc([C@H]2NC[C@H]2C(C)C)n1 307591563 346133812 /nfs/dbraw/zinc/13/38/12/346133812.db2.gz DMMYEMPHFLNBBJ-IUCAKERBSA-N 0 3 196.319 2.368 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccn(C)c1 307594495 346135227 /nfs/dbraw/zinc/13/52/27/346135227.db2.gz KFICRUDWYVKOON-LLVKDONJSA-N 0 3 178.279 2.009 10 0 AEAEHN CC[C@H]1CCN1Cc1ccn(C)c1 307594497 346135242 /nfs/dbraw/zinc/13/52/42/346135242.db2.gz KFICRUDWYVKOON-NSHDSACASA-N 0 3 178.279 2.009 10 0 AEAEHN C[C@@H]1CN[C@@]2(CCC2(C)C)SC1 307595129 346135790 /nfs/dbraw/zinc/13/57/90/346135790.db2.gz JUGVHUHEIAQUQJ-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CN[C@]2(CCC2(C)C)SC1 307595130 346135830 /nfs/dbraw/zinc/13/58/30/346135830.db2.gz JUGVHUHEIAQUQJ-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CN[C@]2(CCC2(C)C)SC1 307595128 346135852 /nfs/dbraw/zinc/13/58/52/346135852.db2.gz JUGVHUHEIAQUQJ-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CN[C@@]2(CCC2(C)C)SC1 307595131 346135888 /nfs/dbraw/zinc/13/58/88/346135888.db2.gz JUGVHUHEIAQUQJ-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN CCC1(NC2=NC[C@H](C)S2)CC1 307599688 346138903 /nfs/dbraw/zinc/13/89/03/346138903.db2.gz RIDQOJOJZRXCED-ZETCQYMHSA-N 0 3 184.308 2.010 10 0 AEAEHN CCC1(NC2=NC[C@@H](C)S2)CC1 307599687 346139139 /nfs/dbraw/zinc/13/91/39/346139139.db2.gz RIDQOJOJZRXCED-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN C[C@@H](Nc1ccncc1)C(F)(F)F 307603028 346141064 /nfs/dbraw/zinc/14/10/64/346141064.db2.gz YJGBBSGUSCIUJD-ZCFIWIBFSA-N 0 3 190.168 2.444 10 0 AEAEHN C[C@H](Nc1ccncc1)C(F)(F)F 307603027 346141363 /nfs/dbraw/zinc/14/13/63/346141363.db2.gz YJGBBSGUSCIUJD-LURJTMIESA-N 0 3 190.168 2.444 10 0 AEAEHN CCn1c(-c2ccsc2)cnc1N 307607403 346143365 /nfs/dbraw/zinc/14/33/65/346143365.db2.gz FHHCFAMFLMLQQS-UHFFFAOYSA-N 0 3 193.275 2.214 10 0 AEAEHN CC1(C)CCNc2ccncc2N1 307607991 346143881 /nfs/dbraw/zinc/14/38/81/346143881.db2.gz DDUADEOKJBSGOG-UHFFFAOYSA-N 0 3 177.251 2.088 10 0 AEAEHN NCc1csc(-c2ccccn2)c1 307610341 346145511 /nfs/dbraw/zinc/14/55/11/346145511.db2.gz HFNSBAQVKIBOGI-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN Cc1csc([C@H]2NCC2(C)C)n1 307615813 346149162 /nfs/dbraw/zinc/14/91/62/346149162.db2.gz RGNHBBPWMDNUHT-SSDOTTSWSA-N 0 3 182.292 2.122 10 0 AEAEHN Cc1csc([C@@H]2NCC2(C)C)n1 307615814 346149279 /nfs/dbraw/zinc/14/92/79/346149279.db2.gz RGNHBBPWMDNUHT-ZETCQYMHSA-N 0 3 182.292 2.122 10 0 AEAEHN C[C@@H]1SC(NC[C@H]2C[C@H]2C)=N[C@@H]1C 307616536 346149852 /nfs/dbraw/zinc/14/98/52/346149852.db2.gz QHEXCKKWMODBAF-LURQLKTLSA-N 0 3 198.335 2.112 10 0 AEAEHN C[C@@H]1C[C@@H]1CNC1=N[C@H](C)[C@@H](C)S1 307616535 346149891 /nfs/dbraw/zinc/14/98/91/346149891.db2.gz QHEXCKKWMODBAF-FNCVBFRFSA-N 0 3 198.335 2.112 10 0 AEAEHN Cc1cscc1[C@@H](N)c1ccc[nH]1 307622899 346153531 /nfs/dbraw/zinc/15/35/31/346153531.db2.gz LWEYNHARUSFJNW-SNVBAGLBSA-N 0 3 192.287 2.433 10 0 AEAEHN Cc1cscc1[C@H](N)c1ccc[nH]1 307622898 346153544 /nfs/dbraw/zinc/15/35/44/346153544.db2.gz LWEYNHARUSFJNW-JTQLQIEISA-N 0 3 192.287 2.433 10 0 AEAEHN CC[C@H](C)C[C@H]1NCCCS1 307626789 346155666 /nfs/dbraw/zinc/15/56/66/346155666.db2.gz ICHSPIXIFIVGCU-IUCAKERBSA-N 0 3 173.325 2.475 10 0 AEAEHN CC[C@@H](C)C[C@H]1NCCCS1 307626786 346155783 /nfs/dbraw/zinc/15/57/83/346155783.db2.gz ICHSPIXIFIVGCU-BDAKNGLRSA-N 0 3 173.325 2.475 10 0 AEAEHN CC[C@@H](C)C[C@@H]1NCCCS1 307626790 346155788 /nfs/dbraw/zinc/15/57/88/346155788.db2.gz ICHSPIXIFIVGCU-RKDXNWHRSA-N 0 3 173.325 2.475 10 0 AEAEHN CC[C@H](C)C[C@@H]1NCCCS1 307626788 346155934 /nfs/dbraw/zinc/15/59/34/346155934.db2.gz ICHSPIXIFIVGCU-DTWKUNHWSA-N 0 3 173.325 2.475 10 0 AEAEHN C[C@@H]1CC[C@H]1NC1=NC(C)(C)CS1 307628442 346157034 /nfs/dbraw/zinc/15/70/34/346157034.db2.gz KCMZQEROAWURII-HTQZYQBOSA-N 0 3 198.335 2.256 10 0 AEAEHN C[C@@H]1CC[C@@H]1NC1=NC(C)(C)CS1 307628444 346157039 /nfs/dbraw/zinc/15/70/39/346157039.db2.gz KCMZQEROAWURII-SFYZADRCSA-N 0 3 198.335 2.256 10 0 AEAEHN CC[C@]1(C)CN(C2CCC2)CCO1 307629623 346157447 /nfs/dbraw/zinc/15/74/47/346157447.db2.gz XLOYMWOZTYFLIO-LLVKDONJSA-N 0 3 183.295 2.040 10 0 AEAEHN CCN[C@H](C)c1cc(C)ns1 307629665 346157551 /nfs/dbraw/zinc/15/75/51/346157551.db2.gz XQWBBOUIYPGQJX-SSDOTTSWSA-N 0 3 170.281 2.122 10 0 AEAEHN CC[C@@]1(C)CN(C2CCC2)CCO1 307629624 346157618 /nfs/dbraw/zinc/15/76/18/346157618.db2.gz XLOYMWOZTYFLIO-NSHDSACASA-N 0 3 183.295 2.040 10 0 AEAEHN CCN[C@@H](C)c1cc(C)ns1 307629666 346157627 /nfs/dbraw/zinc/15/76/27/346157627.db2.gz XQWBBOUIYPGQJX-ZETCQYMHSA-N 0 3 170.281 2.122 10 0 AEAEHN CC1([C@H]2NCCS2)CCCC1 307629464 346157648 /nfs/dbraw/zinc/15/76/48/346157648.db2.gz LJASAANOLCNODO-QMMMGPOBSA-N 0 3 171.309 2.229 10 0 AEAEHN CC1([C@@H]2NCCS2)CCCC1 307629463 346157694 /nfs/dbraw/zinc/15/76/94/346157694.db2.gz LJASAANOLCNODO-MRVPVSSYSA-N 0 3 171.309 2.229 10 0 AEAEHN CCc1occc1[C@H](N)C1=COCC1 307630131 346157951 /nfs/dbraw/zinc/15/79/51/346157951.db2.gz WHHZRGGKUPYSQE-LLVKDONJSA-N 0 3 193.246 2.146 10 0 AEAEHN Cc1nc([C@H](C)C(C)C)c(N)n1C 307630209 346158126 /nfs/dbraw/zinc/15/81/26/346158126.db2.gz NRAZOLPMYUYXOZ-SSDOTTSWSA-N 0 3 181.283 2.070 10 0 AEAEHN Cc1nc([C@@H](C)C(C)C)c(N)n1C 307630210 346158165 /nfs/dbraw/zinc/15/81/65/346158165.db2.gz NRAZOLPMYUYXOZ-ZETCQYMHSA-N 0 3 181.283 2.070 10 0 AEAEHN CCc1occc1[C@@H](N)C1=COCC1 307630135 346158399 /nfs/dbraw/zinc/15/83/99/346158399.db2.gz WHHZRGGKUPYSQE-NSHDSACASA-N 0 3 193.246 2.146 10 0 AEAEHN CCC(C)(C)[C@H]1CNCC(C)(C)O1 307631985 346158738 /nfs/dbraw/zinc/15/87/38/346158738.db2.gz MBBJHGZRTGQWCB-SECBINFHSA-N 0 3 185.311 2.190 10 0 AEAEHN CCC(C)(C)[C@@H]1CNCC(C)(C)O1 307631989 346158789 /nfs/dbraw/zinc/15/87/89/346158789.db2.gz MBBJHGZRTGQWCB-VIFPVBQESA-N 0 3 185.311 2.190 10 0 AEAEHN C[C@]1([C@H](N)c2cccs2)C[C@H]1F 307638759 346162070 /nfs/dbraw/zinc/16/20/70/346162070.db2.gz DGWOTCYUZVNUOW-HLTSFMKQSA-N 0 3 185.267 2.496 10 0 AEAEHN C[C@]1([C@H](N)c2cccs2)C[C@@H]1F 307638762 346162085 /nfs/dbraw/zinc/16/20/85/346162085.db2.gz DGWOTCYUZVNUOW-YIZRAAEISA-N 0 3 185.267 2.496 10 0 AEAEHN C[C@]1([C@@H](N)c2cccs2)C[C@H]1F 307638760 346162226 /nfs/dbraw/zinc/16/22/26/346162226.db2.gz DGWOTCYUZVNUOW-VGMNWLOBSA-N 0 3 185.267 2.496 10 0 AEAEHN C[C@H]1C[C@@]2(N[C@H](C)CCS2)[C@@H]1C 307640097 346162743 /nfs/dbraw/zinc/16/27/43/346162743.db2.gz GMCBUTAYTWOYDK-JLIMGVALSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1C[C@@]2(N[C@H](C)CCS2)[C@H]1C 307640098 346162764 /nfs/dbraw/zinc/16/27/64/346162764.db2.gz GMCBUTAYTWOYDK-JXUBOQSCSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1[C@H](C)C[C@@]12N[C@H](C)CCS2 307640096 346162910 /nfs/dbraw/zinc/16/29/10/346162910.db2.gz GMCBUTAYTWOYDK-IMSYWVGJSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCS[C@]2(C[C@@H](C)[C@H]2C)N1 307640099 346163023 /nfs/dbraw/zinc/16/30/23/346163023.db2.gz GMCBUTAYTWOYDK-KYXWUPHJSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H](N)[C@@](C)(F)c1cccs1 307643400 346164169 /nfs/dbraw/zinc/16/41/69/346164169.db2.gz LPHGKNCOVXEWQM-HTRCEHHLSA-N 0 3 173.256 2.280 10 0 AEAEHN C[C@H](N)[C@@](C)(F)c1cccs1 307643401 346164269 /nfs/dbraw/zinc/16/42/69/346164269.db2.gz LPHGKNCOVXEWQM-POYBYMJQSA-N 0 3 173.256 2.280 10 0 AEAEHN C[C@@H](N)[C@](C)(F)c1cccs1 307643402 346164421 /nfs/dbraw/zinc/16/44/21/346164421.db2.gz LPHGKNCOVXEWQM-SVRRBLITSA-N 0 3 173.256 2.280 10 0 AEAEHN CC(C)[C@H](C)[C@@H]1CN[C@H](C)[C@H](C)O1 307645479 346165131 /nfs/dbraw/zinc/16/51/31/346165131.db2.gz YTOIARVLBVTUCJ-VLEAKVRGSA-N 0 3 185.311 2.044 10 0 AEAEHN CC(C)[C@H](C)[C@@H]1CN[C@@H](C)[C@@H](C)O1 307645477 346165232 /nfs/dbraw/zinc/16/52/32/346165232.db2.gz YTOIARVLBVTUCJ-MMWGEVLESA-N 0 3 185.311 2.044 10 0 AEAEHN CC(C)[C@H](C)[C@@H]1CN[C@H](C)[C@@H](C)O1 307645480 346165377 /nfs/dbraw/zinc/16/53/77/346165377.db2.gz YTOIARVLBVTUCJ-ZDCRXTMVSA-N 0 3 185.311 2.044 10 0 AEAEHN N[C@@H](c1ccns1)C1CCCC1 307657353 346168225 /nfs/dbraw/zinc/16/82/25/346168225.db2.gz ACESXFPDSLCKSN-SECBINFHSA-N 0 3 182.292 2.333 10 0 AEAEHN N[C@H](c1ccns1)C1CCCC1 307657358 346168239 /nfs/dbraw/zinc/16/82/39/346168239.db2.gz ACESXFPDSLCKSN-VIFPVBQESA-N 0 3 182.292 2.333 10 0 AEAEHN CCc1cc(C)sc1CN 307657072 346168288 /nfs/dbraw/zinc/16/82/88/346168288.db2.gz ZQGOKWFRTXSJEZ-UHFFFAOYSA-N 0 3 155.266 2.078 10 0 AEAEHN NCc1cc(Cl)ccc1N1CCC1 307658500 346169417 /nfs/dbraw/zinc/16/94/17/346169417.db2.gz SHQIVLFWDMZHHL-UHFFFAOYSA-N 0 3 196.681 2.009 10 0 AEAEHN Cc1cocc1[C@@H](N)[C@@H]1CCCS1 307664873 346171739 /nfs/dbraw/zinc/17/17/39/346171739.db2.gz KZWNPCPEGJHUMA-VHSXEESVSA-N 0 3 197.303 2.483 10 0 AEAEHN Cc1cocc1[C@@H](N)[C@H]1CCCS1 307664871 346171835 /nfs/dbraw/zinc/17/18/35/346171835.db2.gz KZWNPCPEGJHUMA-NXEZZACHSA-N 0 3 197.303 2.483 10 0 AEAEHN Cc1cocc1[C@H](N)[C@@H]1CCCS1 307664872 346171925 /nfs/dbraw/zinc/17/19/25/346171925.db2.gz KZWNPCPEGJHUMA-UWVGGRQHSA-N 0 3 197.303 2.483 10 0 AEAEHN Cc1cocc1[C@H](N)[C@H]1CCCS1 307664874 346172001 /nfs/dbraw/zinc/17/20/01/346172001.db2.gz KZWNPCPEGJHUMA-ZJUUUORDSA-N 0 3 197.303 2.483 10 0 AEAEHN NCc1csc(-c2cscn2)c1 307670984 346174930 /nfs/dbraw/zinc/17/49/30/346174930.db2.gz VYYOUZSQJNAAFF-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN Cc1ncsc1CN1C[C@@H](C)[C@H]1C 307674768 346176336 /nfs/dbraw/zinc/17/63/36/346176336.db2.gz CRWVHOUTKKILFO-VXNVDRBHSA-N 0 3 196.319 2.292 10 0 AEAEHN Cc1ncsc1CN1C[C@H](C)[C@@H]1C 307674764 346176355 /nfs/dbraw/zinc/17/63/55/346176355.db2.gz CRWVHOUTKKILFO-CBAPKCEASA-N 0 3 196.319 2.292 10 0 AEAEHN Cc1ncsc1CN1C[C@@H](C)[C@@H]1C 307674762 346176377 /nfs/dbraw/zinc/17/63/77/346176377.db2.gz CRWVHOUTKKILFO-APPZFPTMSA-N 0 3 196.319 2.292 10 0 AEAEHN Cc1ncsc1CN1C[C@H](C)[C@H]1C 307674766 346176480 /nfs/dbraw/zinc/17/64/80/346176480.db2.gz CRWVHOUTKKILFO-IONNQARKSA-N 0 3 196.319 2.292 10 0 AEAEHN CCC1([C@H](N)c2ccc[nH]2)CC1 307676741 346177321 /nfs/dbraw/zinc/17/73/21/346177321.db2.gz HZWWRPSFMCKHBJ-SECBINFHSA-N 0 3 164.252 2.205 10 0 AEAEHN CCC1([C@@H](N)c2ccc[nH]2)CC1 307676742 346177383 /nfs/dbraw/zinc/17/73/83/346177383.db2.gz HZWWRPSFMCKHBJ-VIFPVBQESA-N 0 3 164.252 2.205 10 0 AEAEHN Cc1nc(CN[C@@H]2CC[C@@H]2C)cs1 307681045 346179665 /nfs/dbraw/zinc/17/96/65/346179665.db2.gz WADOOAADCDUVTL-OIBJUYFYSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1nc(CN[C@@H]2CC[C@H]2C)cs1 307681044 346179820 /nfs/dbraw/zinc/17/98/20/346179820.db2.gz WADOOAADCDUVTL-GMSGAONNSA-N 0 3 196.319 2.340 10 0 AEAEHN NCc1ccc(-c2ccns2)s1 307681149 346179863 /nfs/dbraw/zinc/17/98/63/346179863.db2.gz WPKIBKWFGIHPBR-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN Cc1nc(CN[C@H]2CC[C@H]2C)cs1 307681046 346179869 /nfs/dbraw/zinc/17/98/69/346179869.db2.gz WADOOAADCDUVTL-XCBNKYQSSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1nc(CN[C@H]2CC[C@@H]2C)cs1 307681047 346179907 /nfs/dbraw/zinc/17/99/07/346179907.db2.gz WADOOAADCDUVTL-XVKPBYJWSA-N 0 3 196.319 2.340 10 0 AEAEHN NCc1cscc1C1CCC1 307686305 346182938 /nfs/dbraw/zinc/18/29/38/346182938.db2.gz CVANRPVXRITQRA-UHFFFAOYSA-N 0 3 167.277 2.474 10 0 AEAEHN NC1(c2nccc3sccc23)CC1 307685832 346183053 /nfs/dbraw/zinc/18/30/53/346183053.db2.gz ZWUNMWPIFXHNIU-UHFFFAOYSA-N 0 3 190.271 2.244 10 0 AEAEHN C[C@@H](N)[C@](C)(F)c1ccsc1 307694826 346189062 /nfs/dbraw/zinc/18/90/62/346189062.db2.gz XZXBSUUHHJVSQB-SVRRBLITSA-N 0 3 173.256 2.280 10 0 AEAEHN CN[C@H](C)c1sccc1F 307691757 346186562 /nfs/dbraw/zinc/18/65/62/346186562.db2.gz QEALXYQSUPLTAD-RXMQYKEDSA-N 0 3 159.229 2.168 10 0 AEAEHN Cc1ncc([C@H]2NCC23CCC3)s1 307692148 346186699 /nfs/dbraw/zinc/18/66/99/346186699.db2.gz REIQMLFHAQMEFE-SECBINFHSA-N 0 3 194.303 2.266 10 0 AEAEHN C[C@H](N)[C@@](C)(F)c1ccsc1 307694825 346188782 /nfs/dbraw/zinc/18/87/82/346188782.db2.gz XZXBSUUHHJVSQB-POYBYMJQSA-N 0 3 173.256 2.280 10 0 AEAEHN C[C@H](N)[C@](C)(F)c1ccsc1 307694827 346188819 /nfs/dbraw/zinc/18/88/19/346188819.db2.gz XZXBSUUHHJVSQB-XPUUQOCRSA-N 0 3 173.256 2.280 10 0 AEAEHN C[C@@H](N)[C@@](C)(F)c1ccsc1 307694824 346188888 /nfs/dbraw/zinc/18/88/88/346188888.db2.gz XZXBSUUHHJVSQB-HTRCEHHLSA-N 0 3 173.256 2.280 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1ccccn1 307696208 346189295 /nfs/dbraw/zinc/18/92/95/346189295.db2.gz KADCWHSHDKAEQC-AOOOYVTPSA-N 0 3 176.263 2.064 10 0 AEAEHN CNCc1ncc(-c2ccoc2)s1 307697403 346189873 /nfs/dbraw/zinc/18/98/73/346189873.db2.gz GGDSTTKEJPJVOI-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN c1cc(N[C@H]2C[C@H]2C2CC2)ccn1 307699698 346191034 /nfs/dbraw/zinc/19/10/34/346191034.db2.gz PFUYWVQYLIWQQT-QWRGUYRKSA-N 0 3 174.247 2.292 10 0 AEAEHN c1cc(N[C@H]2C[C@@H]2C2CC2)ccn1 307699697 346191148 /nfs/dbraw/zinc/19/11/48/346191148.db2.gz PFUYWVQYLIWQQT-MNOVXSKESA-N 0 3 174.247 2.292 10 0 AEAEHN c1cc(N[C@@H]2C[C@@H]2C2CC2)ccn1 307699696 346191218 /nfs/dbraw/zinc/19/12/18/346191218.db2.gz PFUYWVQYLIWQQT-GHMZBOCLSA-N 0 3 174.247 2.292 10 0 AEAEHN c1cc(N[C@@H]2C[C@H]2C2CC2)ccn1 307699699 346191332 /nfs/dbraw/zinc/19/13/32/346191332.db2.gz PFUYWVQYLIWQQT-WDEREUQCSA-N 0 3 174.247 2.292 10 0 AEAEHN Cc1csc([C@]2(N)CC[C@H]2C)n1 307713686 346198891 /nfs/dbraw/zinc/19/88/91/346198891.db2.gz CITISHAUMDZELV-MUWHJKNJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1csc([C@]2(N)CC[C@@H]2C)n1 307713687 346198923 /nfs/dbraw/zinc/19/89/23/346198923.db2.gz CITISHAUMDZELV-RCOVLWMOSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1csc([C@@]2(N)CC[C@H]2C)n1 307713684 346198943 /nfs/dbraw/zinc/19/89/43/346198943.db2.gz CITISHAUMDZELV-HZGVNTEJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1csc([C@@]2(N)CC[C@@H]2C)n1 307713685 346199008 /nfs/dbraw/zinc/19/90/08/346199008.db2.gz CITISHAUMDZELV-IMTBSYHQSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ccc(CN[C@H]2C[C@@H]3C[C@@H]3C2)o1 307716048 346199673 /nfs/dbraw/zinc/19/96/73/346199673.db2.gz JPJPGRPSIFSCRF-JGPRNRPPSA-N 0 3 191.274 2.476 10 0 AEAEHN CCC[C@H](N)c1cocc1C 307716676 346200303 /nfs/dbraw/zinc/20/03/03/346200303.db2.gz LAFRQDOKTLORMU-VIFPVBQESA-N 0 3 153.225 2.388 10 0 AEAEHN CCC[C@@H](N)c1cocc1C 307716675 346200321 /nfs/dbraw/zinc/20/03/21/346200321.db2.gz LAFRQDOKTLORMU-SECBINFHSA-N 0 3 153.225 2.388 10 0 AEAEHN C[C@](N)(c1nccs1)C1CCC1 307717963 346200876 /nfs/dbraw/zinc/20/08/76/346200876.db2.gz KMLBXPGZPXVXAZ-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1cc([C@](C)(N)C(C)C)sn1 307718875 346201482 /nfs/dbraw/zinc/20/14/82/346201482.db2.gz MESFJNDBKFJACO-SECBINFHSA-N 0 3 184.308 2.281 10 0 AEAEHN Cc1cc([C@@](C)(N)C(C)C)sn1 307718876 346201612 /nfs/dbraw/zinc/20/16/12/346201612.db2.gz MESFJNDBKFJACO-VIFPVBQESA-N 0 3 184.308 2.281 10 0 AEAEHN CCC[C@@H](N)c1cc(C)ns1 307720962 346202200 /nfs/dbraw/zinc/20/22/00/346202200.db2.gz VGDAOMUAAOOGCC-SSDOTTSWSA-N 0 3 170.281 2.251 10 0 AEAEHN CC1(C)C[C@H]1[C@@](C)(N)C(F)F 307722589 346202885 /nfs/dbraw/zinc/20/28/85/346202885.db2.gz YWWRGSPZGZHQAF-SVGQVSJJSA-N 0 3 163.211 2.015 10 0 AEAEHN CC1(C)C[C@H]1[C@](C)(N)C(F)F 307722591 346202991 /nfs/dbraw/zinc/20/29/91/346202991.db2.gz YWWRGSPZGZHQAF-XRGYYRRGSA-N 0 3 163.211 2.015 10 0 AEAEHN CC1(C)C[C@@H]1[C@@](C)(N)C(F)F 307722592 346203179 /nfs/dbraw/zinc/20/31/79/346203179.db2.gz YWWRGSPZGZHQAF-YLWLKBPMSA-N 0 3 163.211 2.015 10 0 AEAEHN CC1(C)C[C@@H]1[C@](C)(N)C(F)F 307722590 346203190 /nfs/dbraw/zinc/20/31/90/346203190.db2.gz YWWRGSPZGZHQAF-XNCJUZBTSA-N 0 3 163.211 2.015 10 0 AEAEHN Cc1nc([C@]2(N)CC[C@H]2C)sc1C 307728468 346206745 /nfs/dbraw/zinc/20/67/45/346206745.db2.gz HMMXDMRHEFPNRJ-LDWIPMOCSA-N 0 3 196.319 2.344 10 0 AEAEHN Cc1nc([C@@]2(N)CC[C@H]2C)sc1C 307728469 346206891 /nfs/dbraw/zinc/20/68/91/346206891.db2.gz HMMXDMRHEFPNRJ-LHLIQPBNSA-N 0 3 196.319 2.344 10 0 AEAEHN Cc1nc([C@@]2(N)CC[C@@H]2C)sc1C 307728470 346206998 /nfs/dbraw/zinc/20/69/98/346206998.db2.gz HMMXDMRHEFPNRJ-QUBYGPBYSA-N 0 3 196.319 2.344 10 0 AEAEHN Cc1nc([C@]2(N)CC[C@@H]2C)sc1C 307728471 346207090 /nfs/dbraw/zinc/20/70/90/346207090.db2.gz HMMXDMRHEFPNRJ-WKEGUHRASA-N 0 3 196.319 2.344 10 0 AEAEHN Cc1cnc(CN[C@@H]2CC[C@@H]2C)s1 307731513 346208618 /nfs/dbraw/zinc/20/86/18/346208618.db2.gz NCNXTHAKXDWIPI-IONNQARKSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1cnc(CN[C@@H]2CC[C@H]2C)s1 307731514 346208629 /nfs/dbraw/zinc/20/86/29/346208629.db2.gz NCNXTHAKXDWIPI-VXNVDRBHSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1cnc(CN[C@H]2CC[C@@H]2C)s1 307731512 346208684 /nfs/dbraw/zinc/20/86/84/346208684.db2.gz NCNXTHAKXDWIPI-CBAPKCEASA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1cnc(CN[C@H]2CC[C@H]2C)s1 307731511 346208700 /nfs/dbraw/zinc/20/87/00/346208700.db2.gz NCNXTHAKXDWIPI-APPZFPTMSA-N 0 3 196.319 2.340 10 0 AEAEHN FC(F)[C@H]1C[C@@H]1Nc1ccncc1 307731989 346208724 /nfs/dbraw/zinc/20/87/24/346208724.db2.gz OKTVHPYXXXJPPQ-YUMQZZPRSA-N 0 3 184.189 2.147 10 0 AEAEHN CC1(C=C2CNC2)CCCC1 307735367 346210538 /nfs/dbraw/zinc/21/05/38/346210538.db2.gz QHNIKBKHRKNDML-UHFFFAOYSA-N 0 3 151.253 2.096 10 0 AEAEHN CC(C)n1cc(C(C)(C)C)nc1N 307738571 346212315 /nfs/dbraw/zinc/21/23/15/346212315.db2.gz XACZLVLCDFOVPH-UHFFFAOYSA-N 0 3 181.283 2.344 10 0 AEAEHN CC[C@H]1CN(C2CCC2)C[C@H](C)O1 307740445 346212571 /nfs/dbraw/zinc/21/25/71/346212571.db2.gz HMUNZLFODJDVSJ-ONGXEEELSA-N 0 3 183.295 2.038 10 0 AEAEHN CC[C@@H]1CN(C2CCC2)C[C@@H](C)O1 307740444 346212636 /nfs/dbraw/zinc/21/26/36/346212636.db2.gz HMUNZLFODJDVSJ-MWLCHTKSSA-N 0 3 183.295 2.038 10 0 AEAEHN CC[C@H]1CN(C2CCC2)C[C@@H](C)O1 307740442 346212870 /nfs/dbraw/zinc/21/28/70/346212870.db2.gz HMUNZLFODJDVSJ-KOLCDFICSA-N 0 3 183.295 2.038 10 0 AEAEHN CC[C@@H]1CN(C2CCC2)C[C@H](C)O1 307740441 346212950 /nfs/dbraw/zinc/21/29/50/346212950.db2.gz HMUNZLFODJDVSJ-GXSJLCMTSA-N 0 3 183.295 2.038 10 0 AEAEHN Cc1cc([C@@H](N)C(C)(C)C)sn1 307750072 346219572 /nfs/dbraw/zinc/21/95/72/346219572.db2.gz IRBKCMXQRAESAW-MRVPVSSYSA-N 0 3 184.308 2.497 10 0 AEAEHN Cc1cc([C@H](N)C(C)(C)C)sn1 307750073 346219595 /nfs/dbraw/zinc/21/95/95/346219595.db2.gz IRBKCMXQRAESAW-QMMMGPOBSA-N 0 3 184.308 2.497 10 0 AEAEHN CC1=CCCN(Cc2cc[nH]c2)C1 307752383 346221419 /nfs/dbraw/zinc/22/14/19/346221419.db2.gz RKYLQNHXBXRUFA-UHFFFAOYSA-N 0 3 176.263 2.167 10 0 AEAEHN C[C@H](N)c1c[nH]c(-c2ccsc2)n1 307752991 346222407 /nfs/dbraw/zinc/22/24/07/346222407.db2.gz ULIYORQHRIOOOD-LURJTMIESA-N 0 3 193.275 2.158 10 0 AEAEHN C[C@@H](N)c1c[nH]c(-c2ccsc2)n1 307752992 346222556 /nfs/dbraw/zinc/22/25/56/346222556.db2.gz ULIYORQHRIOOOD-ZCFIWIBFSA-N 0 3 193.275 2.158 10 0 AEAEHN C[C@H]1CN[C@](C)(C2CCC2)SC1 307757346 346225098 /nfs/dbraw/zinc/22/50/98/346225098.db2.gz KYKQTLNAOFMANH-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN NC[C@@H](F)c1cc(F)cc(F)c1F 307757713 346225106 /nfs/dbraw/zinc/22/51/06/346225106.db2.gz MHIMZMCKXCGDJT-SSDOTTSWSA-N 0 3 193.143 2.073 10 0 AEAEHN C[C@@H]1CN[C@](C)(C2CCC2)SC1 307757344 346225179 /nfs/dbraw/zinc/22/51/79/346225179.db2.gz KYKQTLNAOFMANH-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN NC[C@H](F)c1cc(F)cc(F)c1F 307757714 346225256 /nfs/dbraw/zinc/22/52/56/346225256.db2.gz MHIMZMCKXCGDJT-ZETCQYMHSA-N 0 3 193.143 2.073 10 0 AEAEHN C[C@@H]1CN[C@@](C)(C2CCC2)SC1 307757343 346225282 /nfs/dbraw/zinc/22/52/82/346225282.db2.gz KYKQTLNAOFMANH-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CN[C@@](C)(C2CCC2)SC1 307757345 346225376 /nfs/dbraw/zinc/22/53/76/346225376.db2.gz KYKQTLNAOFMANH-WCBMZHEXSA-N 0 3 185.336 2.475 10 0 AEAEHN C/C(=C/Cl)CN[C@@H]1CCSC1 307878490 346231829 /nfs/dbraw/zinc/23/18/29/346231829.db2.gz PUESECVOZYUWJK-RBMBQVQZSA-N 0 3 191.727 2.224 10 0 AEAEHN C/C(=C/Cl)CN[C@H]1CCSC1 307878487 346232137 /nfs/dbraw/zinc/23/21/37/346232137.db2.gz PUESECVOZYUWJK-NZGHECTNSA-N 0 3 191.727 2.224 10 0 AEAEHN C/C=C\CNCc1cccs1 307890123 346232686 /nfs/dbraw/zinc/23/26/86/346232686.db2.gz CNZVNUSPHBIBOK-IHWYPQMZSA-N 0 3 167.277 2.414 10 0 AEAEHN Cl/C=C\CN1C[C@@H]2CCC[C@H]21 307919556 346235372 /nfs/dbraw/zinc/23/53/72/346235372.db2.gz GWYOMMWZQVJQPT-UESWHYPVSA-N 0 3 171.671 2.223 10 0 AEAEHN Cl/C=C\CN1C[C@@H]2CCC[C@@H]21 307919554 346235584 /nfs/dbraw/zinc/23/55/84/346235584.db2.gz GWYOMMWZQVJQPT-MGQLQWOVSA-N 0 3 171.671 2.223 10 0 AEAEHN C/C=C\CN1CCS[C@H](C)[C@@H]1C 308038285 346251758 /nfs/dbraw/zinc/25/17/58/346251758.db2.gz LSMIMPGMAWNSGA-YVDHIRPGSA-N 0 3 185.336 2.388 10 0 AEAEHN C/C=C\CN1CCS[C@H](C)[C@H]1C 308038280 346251852 /nfs/dbraw/zinc/25/18/52/346251852.db2.gz LSMIMPGMAWNSGA-BYIQDMNASA-N 0 3 185.336 2.388 10 0 AEAEHN CCCCCN1[C@H](C)COC[C@H]1C 308213863 346270136 /nfs/dbraw/zinc/27/01/36/346270136.db2.gz HXNCZXGETDVAHO-GHMZBOCLSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCCN1[C@@H](C)COC[C@@H]1C 308213865 346270278 /nfs/dbraw/zinc/27/02/78/346270278.db2.gz HXNCZXGETDVAHO-QWRGUYRKSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCCN1[C@@H](C)COC[C@H]1C 308213864 346270309 /nfs/dbraw/zinc/27/03/09/346270309.db2.gz HXNCZXGETDVAHO-PHIMTYICSA-N 0 3 185.311 2.286 10 0 AEAEHN CC(C)=CCN(C)C[C@@H]1CCCO1 308216699 346271059 /nfs/dbraw/zinc/27/10/59/346271059.db2.gz AITODHDLUXKVIS-NSHDSACASA-N 0 3 183.295 2.063 10 0 AEAEHN CS[C@H]1CC[C@@H]1NCc1ccoc1 308301716 346284689 /nfs/dbraw/zinc/28/46/89/346284689.db2.gz LAPQWTNSBPTXGJ-UWVGGRQHSA-N 0 3 197.303 2.263 10 0 AEAEHN CS[C@@H]1CC[C@H]1NCc1ccoc1 308301715 346284811 /nfs/dbraw/zinc/28/48/11/346284811.db2.gz LAPQWTNSBPTXGJ-NXEZZACHSA-N 0 3 197.303 2.263 10 0 AEAEHN CS[C@@H]1CC[C@@H]1NCc1ccoc1 308301717 346284943 /nfs/dbraw/zinc/28/49/43/346284943.db2.gz LAPQWTNSBPTXGJ-VHSXEESVSA-N 0 3 197.303 2.263 10 0 AEAEHN CS[C@H]1CC[C@H]1NCc1ccoc1 308301718 346285019 /nfs/dbraw/zinc/28/50/19/346285019.db2.gz LAPQWTNSBPTXGJ-ZJUUUORDSA-N 0 3 197.303 2.263 10 0 AEAEHN CS[C@H]1CC[C@H]1NCc1ccco1 308308299 346285467 /nfs/dbraw/zinc/28/54/67/346285467.db2.gz PIFTVCWNADOSSL-ZJUUUORDSA-N 0 3 197.303 2.263 10 0 AEAEHN CS[C@H]1CC[C@@H]1NCc1ccco1 308308295 346285641 /nfs/dbraw/zinc/28/56/41/346285641.db2.gz PIFTVCWNADOSSL-UWVGGRQHSA-N 0 3 197.303 2.263 10 0 AEAEHN CS[C@@H]1CC[C@@H]1NCc1ccco1 308308297 346285664 /nfs/dbraw/zinc/28/56/64/346285664.db2.gz PIFTVCWNADOSSL-VHSXEESVSA-N 0 3 197.303 2.263 10 0 AEAEHN CN(C)CCSc1ccccc1F 308400009 346298284 /nfs/dbraw/zinc/29/82/84/346298284.db2.gz GNKZIWYWQXSEKE-UHFFFAOYSA-N 0 3 199.294 2.479 10 0 AEAEHN C/C=C\CNCc1ccccc1OC 308402362 346298954 /nfs/dbraw/zinc/29/89/54/346298954.db2.gz YAPOVPTZVGAINI-ARJAWSKDSA-N 0 3 191.274 2.361 10 0 AEAEHN CCCCCN1C[C@H](C)OC[C@@H]1C 308459370 346305294 /nfs/dbraw/zinc/30/52/94/346305294.db2.gz GZUZLWHOAHLKCU-QWRGUYRKSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCCN1C[C@@H](C)OC[C@H]1C 308459368 346305287 /nfs/dbraw/zinc/30/52/87/346305287.db2.gz GZUZLWHOAHLKCU-GHMZBOCLSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCCN1C[C@@H](C)OC[C@@H]1C 308459371 346305343 /nfs/dbraw/zinc/30/53/43/346305343.db2.gz GZUZLWHOAHLKCU-WDEREUQCSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCCN1C[C@@H]2CC[C@H](C1)O2 308474805 346306190 /nfs/dbraw/zinc/30/61/90/346306190.db2.gz LRLKIIXYKBBLHP-PHIMTYICSA-N 0 3 183.295 2.040 10 0 AEAEHN CCC[C@H](C)NCc1cnc(C)nc1 308688425 346318199 /nfs/dbraw/zinc/31/81/99/346318199.db2.gz DBLXKKXBZYHJLY-VIFPVBQESA-N 0 3 193.294 2.063 10 0 AEAEHN CCC[C@@H](C)NCc1cnc(C)nc1 308688422 346318650 /nfs/dbraw/zinc/31/86/50/346318650.db2.gz DBLXKKXBZYHJLY-SECBINFHSA-N 0 3 193.294 2.063 10 0 AEAEHN Cc1nc(C)c(CN[C@@H](C)C2CC2)o1 311743934 346320678 /nfs/dbraw/zinc/32/06/78/346320678.db2.gz HGSQPNDOHYIVAC-ZETCQYMHSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1nc(C)c(CNCC(C)(C)C)o1 311732667 346320925 /nfs/dbraw/zinc/32/09/25/346320925.db2.gz DLYDGLVINQDZIB-UHFFFAOYSA-N 0 3 196.294 2.427 10 0 AEAEHN Cc1nc(C)c(CNCCC(C)C)o1 311754333 346321152 /nfs/dbraw/zinc/32/11/52/346321152.db2.gz JMYIUHSVRXGZJV-UHFFFAOYSA-N 0 3 196.294 2.427 10 0 AEAEHN Cc1nc(C)c(CNCC2CCC2)o1 311747188 346321203 /nfs/dbraw/zinc/32/12/03/346321203.db2.gz IEDIKMIBJDTVEP-UHFFFAOYSA-N 0 3 194.278 2.181 10 0 AEAEHN Cc1nc(C)c(CN[C@H](C)C2CC2)o1 311743929 346321377 /nfs/dbraw/zinc/32/13/77/346321377.db2.gz HGSQPNDOHYIVAC-SSDOTTSWSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1cccnc1CN1C[C@H](C)[C@@H]1C 334207620 346332234 /nfs/dbraw/zinc/33/22/34/346332234.db2.gz CBLBJPOGXOSKRJ-QWRGUYRKSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cccnc1CN1C[C@H](C)[C@H]1C 334207629 346332261 /nfs/dbraw/zinc/33/22/61/346332261.db2.gz CBLBJPOGXOSKRJ-WDEREUQCSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cccnc1CN1C[C@@H](C)[C@H]1C 334207614 346332430 /nfs/dbraw/zinc/33/24/30/346332430.db2.gz CBLBJPOGXOSKRJ-GHMZBOCLSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cccnc1CN1C[C@@H](C)[C@@H]1C 334207617 346332460 /nfs/dbraw/zinc/33/24/60/346332460.db2.gz CBLBJPOGXOSKRJ-MNOVXSKESA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccncc1CN1C[C@H](C)[C@H]1C 334261195 346335820 /nfs/dbraw/zinc/33/58/20/346335820.db2.gz XRJVXZLCUHRIFF-WDEREUQCSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccncc1CN1C[C@H](C)[C@@H]1C 334261194 346335858 /nfs/dbraw/zinc/33/58/58/346335858.db2.gz XRJVXZLCUHRIFF-QWRGUYRKSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccncc1CN1C[C@@H](C)[C@H]1C 334261192 346336374 /nfs/dbraw/zinc/33/63/74/346336374.db2.gz XRJVXZLCUHRIFF-GHMZBOCLSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccncc1CN1C[C@@H](C)[C@@H]1C 334261193 346336455 /nfs/dbraw/zinc/33/64/55/346336455.db2.gz XRJVXZLCUHRIFF-MNOVXSKESA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1CCCCCN1Cc1c[nH]cn1 334279527 346337804 /nfs/dbraw/zinc/33/78/04/346337804.db2.gz QGAOOZXDFBJCQC-JTQLQIEISA-N 0 3 193.294 2.174 10 0 AEAEHN C[C@H]1CCC[C@@H](C)N1Cc1cc[nH]n1 334323196 346340311 /nfs/dbraw/zinc/34/03/11/346340311.db2.gz ZAMKRTAMCVYWFS-AOOOYVTPSA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@H]1CCC[C@H](C)N1Cc1cc[nH]n1 334338671 346341584 /nfs/dbraw/zinc/34/15/84/346341584.db2.gz ZAMKRTAMCVYWFS-UWVGGRQHSA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@H]1CCCCCN1Cc1cc[nH]n1 334424930 346346991 /nfs/dbraw/zinc/34/69/91/346346991.db2.gz UDHYSLLLLBJABK-JTQLQIEISA-N 0 3 193.294 2.174 10 0 AEAEHN Cc1cccc(CN2C[C@H](C)[C@@H]2C)n1 334436891 346347701 /nfs/dbraw/zinc/34/77/01/346347701.db2.gz QLSHTTRJCONQRB-ONGXEEELSA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1CCCN(Cc2c[nH]cn2)CC1 334474598 346349493 /nfs/dbraw/zinc/34/94/93/346349493.db2.gz MXELBPFTJDLKHZ-JTQLQIEISA-N 0 3 193.294 2.032 10 0 AEAEHN C[C@H]1CCCN(Cc2cnc[nH]2)CC1 334474598 346349495 /nfs/dbraw/zinc/34/94/95/346349495.db2.gz MXELBPFTJDLKHZ-JTQLQIEISA-N 0 3 193.294 2.032 10 0 AEAEHN CCC1CN(Cc2cnccc2C)C1 334522000 346351354 /nfs/dbraw/zinc/35/13/54/346351354.db2.gz IXFZIGXTODWCHS-UHFFFAOYSA-N 0 3 190.290 2.232 10 0 AEAEHN CCC1CN(Cc2occc2C)C1 334521436 346351719 /nfs/dbraw/zinc/35/17/19/346351719.db2.gz DJRZHXALINONIS-UHFFFAOYSA-N 0 3 179.263 2.430 10 0 AEAEHN CN(C[C@@H]1CCCO1)[C@H]1C=CCCC1 334535638 346352137 /nfs/dbraw/zinc/35/21/37/346352137.db2.gz WDAOMVMIMYPZGC-RYUDHWBXSA-N 0 3 195.306 2.206 10 0 AEAEHN CN(C[C@@H]1CCCO1)[C@@H]1C=CCCC1 334535637 346352418 /nfs/dbraw/zinc/35/24/18/346352418.db2.gz WDAOMVMIMYPZGC-NEPJUHHUSA-N 0 3 195.306 2.206 10 0 AEAEHN CC[C@@H]1CCN1Cc1cccnc1C 334537835 346353026 /nfs/dbraw/zinc/35/30/26/346353026.db2.gz WRJQENKKCIVALK-GFCCVEGCSA-N 0 3 190.290 2.374 10 0 AEAEHN CC[C@H]1CCN1Cc1cccnc1C 334537836 346353614 /nfs/dbraw/zinc/35/36/14/346353614.db2.gz WRJQENKKCIVALK-LBPRGKRZSA-N 0 3 190.290 2.374 10 0 AEAEHN CN(Cc1ccno1)C1(C)CCCC1 334570357 346354793 /nfs/dbraw/zinc/35/47/93/346354793.db2.gz RBIMTYKYSWQNFS-UHFFFAOYSA-N 0 3 194.278 2.439 10 0 AEAEHN C[C@H]1CCCCN(Cc2cc[nH]n2)C1 334639710 346358070 /nfs/dbraw/zinc/35/80/70/346358070.db2.gz YNKUPUYBXATQFF-JTQLQIEISA-N 0 3 193.294 2.032 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCc1cncs1 334646788 346358719 /nfs/dbraw/zinc/35/87/19/346358719.db2.gz NLIZUGYLILMVCX-IUCAKERBSA-N 0 3 196.319 2.168 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCc1cncs1 334646787 346358766 /nfs/dbraw/zinc/35/87/66/346358766.db2.gz NLIZUGYLILMVCX-DTORHVGOSA-N 0 3 196.319 2.168 10 0 AEAEHN Cc1cnccc1CN1[C@H](C)C[C@H]1C 334679374 346360204 /nfs/dbraw/zinc/36/02/04/346360204.db2.gz XQQYCFIOGKGCRF-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cnccc1CN1[C@@H](C)C[C@@H]1C 334679376 346360348 /nfs/dbraw/zinc/36/03/48/346360348.db2.gz XQQYCFIOGKGCRF-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cnccc1CN1[C@@H](C)C[C@H]1C 334679375 346360606 /nfs/dbraw/zinc/36/06/06/346360606.db2.gz XQQYCFIOGKGCRF-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN CN(Cc1cc[nH]n1)C1(C)CCCC1 334798818 346365016 /nfs/dbraw/zinc/36/50/16/346365016.db2.gz HPXHXIIUCSNCDH-UHFFFAOYSA-N 0 3 193.294 2.174 10 0 AEAEHN Cc1cncc(CN2C[C@H](C)[C@@H]2C)c1 334942524 346370692 /nfs/dbraw/zinc/37/06/92/346370692.db2.gz OXKZHNOPCCJXSE-QWRGUYRKSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cncc(CN2C[C@@H](C)[C@@H]2C)c1 334942523 346370701 /nfs/dbraw/zinc/37/07/01/346370701.db2.gz OXKZHNOPCCJXSE-MNOVXSKESA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cncc(CN2C[C@@H](C)[C@H]2C)c1 334942522 346370719 /nfs/dbraw/zinc/37/07/19/346370719.db2.gz OXKZHNOPCCJXSE-GHMZBOCLSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1c[nH]nc1CN1[C@@H](C)CC[C@@H]1C 334953469 346371087 /nfs/dbraw/zinc/37/10/87/346371087.db2.gz XEQKBKOBCXZMIN-UWVGGRQHSA-N 0 3 193.294 2.091 10 0 AEAEHN Cc1c[nH]nc1CN1[C@@H](C)CC[C@H]1C 334953467 346371173 /nfs/dbraw/zinc/37/11/73/346371173.db2.gz XEQKBKOBCXZMIN-AOOOYVTPSA-N 0 3 193.294 2.091 10 0 AEAEHN Cc1c[nH]nc1CN1[C@H](C)CC[C@H]1C 334953468 346371441 /nfs/dbraw/zinc/37/14/41/346371441.db2.gz XEQKBKOBCXZMIN-NXEZZACHSA-N 0 3 193.294 2.091 10 0 AEAEHN Cc1c[nH]nc1CN1CCCC1(C)C 335181674 346381859 /nfs/dbraw/zinc/38/18/59/346381859.db2.gz HTHBMMKCPAEJDM-UHFFFAOYSA-N 0 3 193.294 2.093 10 0 AEAEHN Cc1ccc(CN2[C@H](C)C[C@H]2C)cn1 335272454 346385755 /nfs/dbraw/zinc/38/57/55/346385755.db2.gz UGSISLULWVBCOH-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccc(CN2[C@@H](C)C[C@@H]2C)cn1 335272456 346385783 /nfs/dbraw/zinc/38/57/83/346385783.db2.gz UGSISLULWVBCOH-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccc(CN2[C@@H](C)C[C@H]2C)cn1 335272455 346386043 /nfs/dbraw/zinc/38/60/43/346386043.db2.gz UGSISLULWVBCOH-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cc(CN2CC[C@H](C)[C@H]2C)on1 335294455 346386528 /nfs/dbraw/zinc/38/65/28/346386528.db2.gz AIUIZUPVVSLZBP-WCBMZHEXSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1cc(CN2CC[C@@H](C)[C@@H]2C)on1 335294450 346386634 /nfs/dbraw/zinc/38/66/34/346386634.db2.gz AIUIZUPVVSLZBP-SCZZXKLOSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1cc(CN2CC[C@H](C)[C@@H]2C)on1 335294459 346386671 /nfs/dbraw/zinc/38/66/71/346386671.db2.gz AIUIZUPVVSLZBP-WPRPVWTQSA-N 0 3 194.278 2.213 10 0 AEAEHN C[C@H]1CC[C@]2(CCN(CC(N)=O)C2)C1 335312895 346389016 /nfs/dbraw/zinc/38/90/16/346389016.db2.gz HVKRJZIUSFBOMT-ONGXEEELSA-N 0 3 196.294 2.034 10 0 AEAEHN C[C@H]1CC[C@@]2(CCN(CC(N)=O)C2)C1 335312888 346389318 /nfs/dbraw/zinc/38/93/18/346389318.db2.gz HVKRJZIUSFBOMT-GXSJLCMTSA-N 0 3 196.294 2.034 10 0 AEAEHN CC1(CN2CC[C@@H](F)C2)CCC1 335406145 346394567 /nfs/dbraw/zinc/39/45/67/346394567.db2.gz JQJIEFXQFJPFSO-SECBINFHSA-N 0 3 171.259 2.220 10 0 AEAEHN CC1(CN2CC[C@H](F)C2)CCC1 335406146 346395369 /nfs/dbraw/zinc/39/53/69/346395369.db2.gz JQJIEFXQFJPFSO-VIFPVBQESA-N 0 3 171.259 2.220 10 0 AEAEHN Cc1cc(CN(C)C(C)(C)C)ncn1 335456621 346398689 /nfs/dbraw/zinc/39/86/89/346398689.db2.gz VJPUUJDRYLKLNG-UHFFFAOYSA-N 0 3 193.294 2.015 10 0 AEAEHN CC1=CCCN(Cc2ccncc2)C1 335577535 346406344 /nfs/dbraw/zinc/40/63/44/346406344.db2.gz FUOKMRUVJGNTRH-UHFFFAOYSA-N 0 3 188.274 2.234 10 0 AEAEHN Cc1ccncc1CN1[C@H](C)C[C@H]1C 335689898 346414532 /nfs/dbraw/zinc/41/45/32/346414532.db2.gz CDNUREWXDAKRPR-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccncc1CN1[C@@H](C)C[C@H]1C 335689899 346414612 /nfs/dbraw/zinc/41/46/12/346414612.db2.gz CDNUREWXDAKRPR-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccncc1CN1[C@@H](C)C[C@@H]1C 335689900 346414936 /nfs/dbraw/zinc/41/49/36/346414936.db2.gz CDNUREWXDAKRPR-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN C[C@H]1CC[C@H](C)N(Cc2cnc[nH]2)C1 335723354 346416362 /nfs/dbraw/zinc/41/63/62/346416362.db2.gz XYLAFLATCGUYNQ-UWVGGRQHSA-N 0 3 193.294 2.030 10 0 AEAEHN CC[C@H]1CCN1Cc1ccc(C)nc1 335811508 346420946 /nfs/dbraw/zinc/42/09/46/346420946.db2.gz ACJZSLIOUGUMIA-LBPRGKRZSA-N 0 3 190.290 2.374 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccc(C)nc1 335811507 346421109 /nfs/dbraw/zinc/42/11/09/346421109.db2.gz ACJZSLIOUGUMIA-GFCCVEGCSA-N 0 3 190.290 2.374 10 0 AEAEHN C[C@H]1C[C@@H](C)N1Cc1cccc(O)c1 335804474 346421175 /nfs/dbraw/zinc/42/11/75/346421175.db2.gz HCQLWMUUNMRUIA-AOOOYVTPSA-N 0 3 191.274 2.375 10 0 AEAEHN Cc1cccc(CN2[C@@H](C)C[C@H]2C)n1 335824946 346421594 /nfs/dbraw/zinc/42/15/94/346421594.db2.gz UIMAURSOANFYBD-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cccc(CN2[C@H](C)C[C@H]2C)n1 335824945 346421794 /nfs/dbraw/zinc/42/17/94/346421794.db2.gz UIMAURSOANFYBD-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccc(CN2CCCC2)c(C)n1 335863212 346425164 /nfs/dbraw/zinc/42/51/64/346425164.db2.gz BCDSSKWKICLNNN-UHFFFAOYSA-N 0 3 190.290 2.294 10 0 AEAEHN Cc1ccc(CN(C)C2CC2)c(C)n1 335875445 346425857 /nfs/dbraw/zinc/42/58/57/346425857.db2.gz KIFQUIGHJAYKCL-UHFFFAOYSA-N 0 3 190.290 2.293 10 0 AEAEHN CC[C@H]1CCN1Cc1c(C)noc1C 335890459 346426209 /nfs/dbraw/zinc/42/62/09/346426209.db2.gz ORNLAOUJMREGMG-JTQLQIEISA-N 0 3 194.278 2.276 10 0 AEAEHN CC[C@@H]1CCN1Cc1c(C)noc1C 335890460 346426280 /nfs/dbraw/zinc/42/62/80/346426280.db2.gz ORNLAOUJMREGMG-SNVBAGLBSA-N 0 3 194.278 2.276 10 0 AEAEHN C[C@H]1CCCCCN1Cc1ccno1 335971288 346431232 /nfs/dbraw/zinc/43/12/32/346431232.db2.gz GMSPTYLIPXFKNR-JTQLQIEISA-N 0 3 194.278 2.439 10 0 AEAEHN CC[C@H]1CCN(Cc2conc2C)C1 335975725 346431307 /nfs/dbraw/zinc/43/13/07/346431307.db2.gz JKLPRZSOQVRREN-JTQLQIEISA-N 0 3 194.278 2.215 10 0 AEAEHN CC(C)[C@H]1CCCN1Cc1ccon1 336009505 346433307 /nfs/dbraw/zinc/43/33/07/346433307.db2.gz GIJXCLXOIQTHHX-LLVKDONJSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1CCCN1Cc1n[nH]cc1C 336012663 346433404 /nfs/dbraw/zinc/43/34/04/346433404.db2.gz WCKDTVKAKWLRBP-JTQLQIEISA-N 0 3 193.294 2.093 10 0 AEAEHN CC(C)[C@@H]1CCCN1Cc1ccon1 336009506 346433409 /nfs/dbraw/zinc/43/34/09/346433409.db2.gz GIJXCLXOIQTHHX-NSHDSACASA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@@H]1CCCN1Cc1n[nH]cc1C 336012664 346433564 /nfs/dbraw/zinc/43/35/64/346433564.db2.gz WCKDTVKAKWLRBP-SNVBAGLBSA-N 0 3 193.294 2.093 10 0 AEAEHN C[C@H]1CN(C2CCC2)C[C@@H](C2CC2)O1 336056009 346435652 /nfs/dbraw/zinc/43/56/52/346435652.db2.gz OVIVXFJWRZTFPZ-CABZTGNLSA-N 0 3 195.306 2.038 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCc1ccccn1 336055056 346435721 /nfs/dbraw/zinc/43/57/21/346435721.db2.gz BLAPSYMYVNUUPG-QWRGUYRKSA-N 0 3 190.290 2.107 10 0 AEAEHN C[C@H]1CN(C2CCC2)C[C@H](C2CC2)O1 336056010 346435745 /nfs/dbraw/zinc/43/57/45/346435745.db2.gz OVIVXFJWRZTFPZ-JOYOIKCWSA-N 0 3 195.306 2.038 10 0 AEAEHN Cc1cccnc1CN1[C@H](C)C[C@H]1C 336055726 346435761 /nfs/dbraw/zinc/43/57/61/346435761.db2.gz SEKINPSFNNYPHX-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cncc(CN2[C@H](C)C[C@H]2C)c1 336055060 346436076 /nfs/dbraw/zinc/43/60/76/346436076.db2.gz BQUSSUFPSCQJSG-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cccnc1CN1[C@@H](C)C[C@H]1C 336055727 346436085 /nfs/dbraw/zinc/43/60/85/346436085.db2.gz SEKINPSFNNYPHX-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cncc(CN2[C@@H](C)C[C@H]2C)c1 336055061 346436103 /nfs/dbraw/zinc/43/61/03/346436103.db2.gz BQUSSUFPSCQJSG-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cncc(CN2[C@@H](C)C[C@@H]2C)c1 336055062 346436137 /nfs/dbraw/zinc/43/61/37/346436137.db2.gz BQUSSUFPSCQJSG-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ccc(CN2[C@H](C)C[C@H]2C)nc1 336055980 346436208 /nfs/dbraw/zinc/43/62/08/346436208.db2.gz KAZSEYALDDVAOY-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCc1ccccn1 336055055 346436256 /nfs/dbraw/zinc/43/62/56/346436256.db2.gz BLAPSYMYVNUUPG-PHIMTYICSA-N 0 3 190.290 2.107 10 0 AEAEHN Cc1ccc(CN2[C@@H](C)C[C@@H]2C)nc1 336055982 346436264 /nfs/dbraw/zinc/43/62/64/346436264.db2.gz KAZSEYALDDVAOY-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN CC[C@H]1CCN1Cc1c(C)n[nH]c1C 336117563 346439485 /nfs/dbraw/zinc/43/94/85/346439485.db2.gz PMSJNMJIHJVBHX-JTQLQIEISA-N 0 3 193.294 2.011 10 0 AEAEHN CC[C@H]1CCN1Cc1ccc(C)cn1 336124170 346439628 /nfs/dbraw/zinc/43/96/28/346439628.db2.gz GXXSFSRJOCORQN-LBPRGKRZSA-N 0 3 190.290 2.374 10 0 AEAEHN CC[C@@H]1CCN1Cc1c(C)n[nH]c1C 336117564 346439813 /nfs/dbraw/zinc/43/98/13/346439813.db2.gz PMSJNMJIHJVBHX-SNVBAGLBSA-N 0 3 193.294 2.011 10 0 AEAEHN CC[C@H]1CCN1Cc1cnccc1C 336122543 346439967 /nfs/dbraw/zinc/43/99/67/346439967.db2.gz YYNDQAAFMMBFRO-LBPRGKRZSA-N 0 3 190.290 2.374 10 0 AEAEHN CC[C@@H]1CCN1Cc1cnccc1C 336122542 346440128 /nfs/dbraw/zinc/44/01/28/346440128.db2.gz YYNDQAAFMMBFRO-GFCCVEGCSA-N 0 3 190.290 2.374 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccc(C)cn1 336124169 346440135 /nfs/dbraw/zinc/44/01/35/346440135.db2.gz GXXSFSRJOCORQN-GFCCVEGCSA-N 0 3 190.290 2.374 10 0 AEAEHN CC(C)[C@@H]1CCN(Cc2ccno2)C1 336161535 346441321 /nfs/dbraw/zinc/44/13/21/346441321.db2.gz RGRDJBKSPFNTHU-SNVBAGLBSA-N 0 3 194.278 2.153 10 0 AEAEHN CC(C)[C@H]1CCN(Cc2ccno2)C1 336161534 346441716 /nfs/dbraw/zinc/44/17/16/346441716.db2.gz RGRDJBKSPFNTHU-JTQLQIEISA-N 0 3 194.278 2.153 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCc1cscn1 336204131 346444814 /nfs/dbraw/zinc/44/48/14/346444814.db2.gz LMTNQKUPDHGNPD-DTORHVGOSA-N 0 3 196.319 2.168 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccncc1C 336212230 346444930 /nfs/dbraw/zinc/44/49/30/346444930.db2.gz SDTABJIGRCMBJF-GFCCVEGCSA-N 0 3 190.290 2.374 10 0 AEAEHN C[C@]1(F)CCCN(CC2CC2)C1 336214383 346445024 /nfs/dbraw/zinc/44/50/24/346445024.db2.gz LDQXJBNRBMUZOX-JTQLQIEISA-N 0 3 171.259 2.220 10 0 AEAEHN CC[C@H]1CCN1Cc1ccncc1C 336212231 346445161 /nfs/dbraw/zinc/44/51/61/346445161.db2.gz SDTABJIGRCMBJF-LBPRGKRZSA-N 0 3 190.290 2.374 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCc1cscn1 336204132 346445232 /nfs/dbraw/zinc/44/52/32/346445232.db2.gz LMTNQKUPDHGNPD-IUCAKERBSA-N 0 3 196.319 2.168 10 0 AEAEHN CC(C)NCc1cc2cccnc2o1 336205102 346445323 /nfs/dbraw/zinc/44/53/23/346445323.db2.gz KNNOTCLUWADYCP-UHFFFAOYSA-N 0 3 190.246 2.326 10 0 AEAEHN Cc1n[nH]c(C)c1CN1CCCCC1 336220473 346445727 /nfs/dbraw/zinc/44/57/27/346445727.db2.gz FZSGEVVLIWFRCP-UHFFFAOYSA-N 0 3 193.294 2.012 10 0 AEAEHN CC(C)N(C1CCCC1)C1COC1 336259018 346448669 /nfs/dbraw/zinc/44/86/69/346448669.db2.gz GBGFYFNUNXRNDV-UHFFFAOYSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@H]1[C@H](C)CN1CCc1cscn1 336265818 346449678 /nfs/dbraw/zinc/44/96/78/346449678.db2.gz VTEQAPGIBBVNFA-BDAKNGLRSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@H]1CN(CCc2cscn2)[C@H]1C 336265820 346450099 /nfs/dbraw/zinc/45/00/99/346450099.db2.gz VTEQAPGIBBVNFA-IUCAKERBSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@H]1CN(CCc2cscn2)[C@@H]1C 336265819 346450183 /nfs/dbraw/zinc/45/01/83/346450183.db2.gz VTEQAPGIBBVNFA-DTWKUNHWSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@]1(F)CCCN(CCCF)C1 336270128 346450911 /nfs/dbraw/zinc/45/09/11/346450911.db2.gz MQTDGTANUVAUGU-VIFPVBQESA-N 0 3 177.238 2.170 10 0 AEAEHN C[C@]1(F)CCCN(C2CCC2)C1 336275573 346450982 /nfs/dbraw/zinc/45/09/82/346450982.db2.gz SZCBGXVDMAENNB-JTQLQIEISA-N 0 3 171.259 2.363 10 0 AEAEHN C[C@@]1(F)CCCN(CCCF)C1 336270127 346451040 /nfs/dbraw/zinc/45/10/40/346451040.db2.gz MQTDGTANUVAUGU-SECBINFHSA-N 0 3 177.238 2.170 10 0 AEAEHN C[C@@]1(F)CCCN(C2CCC2)C1 336275574 346451112 /nfs/dbraw/zinc/45/11/12/346451112.db2.gz SZCBGXVDMAENNB-SNVBAGLBSA-N 0 3 171.259 2.363 10 0 AEAEHN C[C@H]1[C@H](C)CN1CCc1cncs1 336281028 346451678 /nfs/dbraw/zinc/45/16/78/346451678.db2.gz OZHLYKLVLXHIJE-BDAKNGLRSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@H]1CN(CCc2cncs2)[C@@H]1C 336281029 346451838 /nfs/dbraw/zinc/45/18/38/346451838.db2.gz OZHLYKLVLXHIJE-DTWKUNHWSA-N 0 3 196.319 2.026 10 0 AEAEHN CC[C@H]1CCN1Cc1ncccc1C 336281160 346451890 /nfs/dbraw/zinc/45/18/90/346451890.db2.gz IHUDSSQQJNSZGB-NSHDSACASA-N 0 3 190.290 2.374 10 0 AEAEHN CC[C@@H]1CCN1Cc1ncccc1C 336281159 346451919 /nfs/dbraw/zinc/45/19/19/346451919.db2.gz IHUDSSQQJNSZGB-LLVKDONJSA-N 0 3 190.290 2.374 10 0 AEAEHN C[C@H]1CN(CCc2cncs2)[C@H]1C 336281030 346452191 /nfs/dbraw/zinc/45/21/91/346452191.db2.gz OZHLYKLVLXHIJE-IUCAKERBSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCc1ccncc1 336340094 346456217 /nfs/dbraw/zinc/45/62/17/346456217.db2.gz URRWUQWFUFNPSL-QWRGUYRKSA-N 0 3 190.290 2.107 10 0 AEAEHN C[C@]1(C(N)=O)CCCCN1CC1CC1 336358065 346457619 /nfs/dbraw/zinc/45/76/19/346457619.db2.gz VOCLDZMNYZBOJU-LLVKDONJSA-N 0 3 196.294 2.176 10 0 AEAEHN Cc1n[nH]c(C)c1CN1[C@H](C)C[C@H]1C 336413933 346462008 /nfs/dbraw/zinc/46/20/08/346462008.db2.gz OTMPCYVYHILCJB-HTQZYQBOSA-N 0 3 193.294 2.009 10 0 AEAEHN Cc1n[nH]c(C)c1CN1[C@@H](C)C[C@@H]1C 336413936 346462059 /nfs/dbraw/zinc/46/20/59/346462059.db2.gz OTMPCYVYHILCJB-YUMQZZPRSA-N 0 3 193.294 2.009 10 0 AEAEHN Cc1n[nH]c(C)c1CN1[C@@H](C)C[C@H]1C 336413935 346462075 /nfs/dbraw/zinc/46/20/75/346462075.db2.gz OTMPCYVYHILCJB-OCAPTIKFSA-N 0 3 193.294 2.009 10 0 AEAEHN C[C@H]1CC[C@H](C)N(Cc2ccno2)C1 336427681 346463125 /nfs/dbraw/zinc/46/31/25/346463125.db2.gz RCGPFAILGIKNGH-UWVGGRQHSA-N 0 3 194.278 2.295 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCc1cccnc1 336458796 346464551 /nfs/dbraw/zinc/46/45/51/346464551.db2.gz IXAOOWAMGMBGOD-QWRGUYRKSA-N 0 3 190.290 2.107 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCc1cccnc1 336458795 346464739 /nfs/dbraw/zinc/46/47/39/346464739.db2.gz IXAOOWAMGMBGOD-PHIMTYICSA-N 0 3 190.290 2.107 10 0 AEAEHN CN(C[C@H]1CCCO1)[C@H]1C=CCCC1 336487967 346467280 /nfs/dbraw/zinc/46/72/80/346467280.db2.gz WDAOMVMIMYPZGC-NWDGAFQWSA-N 0 3 195.306 2.206 10 0 AEAEHN CN(C[C@H]1CCCO1)[C@@H]1C=CCCC1 336487968 346467391 /nfs/dbraw/zinc/46/73/91/346467391.db2.gz WDAOMVMIMYPZGC-VXGBXAGGSA-N 0 3 195.306 2.206 10 0 AEAEHN CC[C@H]1C[C@@H](C)CN1Cc1ccno1 336508337 346468886 /nfs/dbraw/zinc/46/88/86/346468886.db2.gz IBSYMDCNASNTGV-ZJUUUORDSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1C[C@H](C)CN1Cc1ccno1 336508335 346468980 /nfs/dbraw/zinc/46/89/80/346468980.db2.gz IBSYMDCNASNTGV-UWVGGRQHSA-N 0 3 194.278 2.295 10 0 AEAEHN CC[C@H]1CCN1Cc1cccc(O)c1 336519193 346469081 /nfs/dbraw/zinc/46/90/81/346469081.db2.gz MVNLXGUVUSDRNX-NSHDSACASA-N 0 3 191.274 2.377 10 0 AEAEHN CC[C@@H]1CCN1Cc1cccc(O)c1 336519192 346469119 /nfs/dbraw/zinc/46/91/19/346469119.db2.gz MVNLXGUVUSDRNX-LLVKDONJSA-N 0 3 191.274 2.377 10 0 AEAEHN C[C@H]1CN(C2CCCC2)[C@@H](C)CO1 336552341 346470359 /nfs/dbraw/zinc/47/03/59/346470359.db2.gz JTTSTISVNKDUOE-UWVGGRQHSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@H]1CN(C2CCCC2)[C@H](C)CO1 336552343 346470925 /nfs/dbraw/zinc/47/09/25/346470925.db2.gz JTTSTISVNKDUOE-ZJUUUORDSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@H]1CO[C@H](C)CN1C1CCCC1 336552342 346470975 /nfs/dbraw/zinc/47/09/75/346470975.db2.gz JTTSTISVNKDUOE-VHSXEESVSA-N 0 3 183.295 2.038 10 0 AEAEHN CC(C)N(C)Cc1ccoc1 336553184 346471272 /nfs/dbraw/zinc/47/12/72/346471272.db2.gz ABMURLFQLYPGJY-UHFFFAOYSA-N 0 3 153.225 2.120 10 0 AEAEHN CC[C@@H]1COCCN1C1CCCC1 336553289 346471479 /nfs/dbraw/zinc/47/14/79/346471479.db2.gz GDFGOMPZFMVZIA-SNVBAGLBSA-N 0 3 183.295 2.040 10 0 AEAEHN Cc1cc(CN2CCCC2(C)C)on1 336555493 346474173 /nfs/dbraw/zinc/47/41/73/346474173.db2.gz OHSIIKLOJAWPMP-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ncccc1CN1[C@@H](C)C[C@@H]1C 336559094 346475005 /nfs/dbraw/zinc/47/50/05/346475005.db2.gz KIIZTBRNCQKMDH-UWVGGRQHSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1ncccc1CN1[C@@H](C)C[C@H]1C 336559092 346475285 /nfs/dbraw/zinc/47/52/85/346475285.db2.gz KIIZTBRNCQKMDH-AOOOYVTPSA-N 0 3 190.290 2.373 10 0 AEAEHN C[C@H]1COC[C@H](C)N1C1CCCC1 336626669 346480088 /nfs/dbraw/zinc/48/00/88/346480088.db2.gz IBQQISTZQYSSKQ-UWVGGRQHSA-N 0 3 183.295 2.038 10 0 AEAEHN Cc1ncc(CN2CCC[C@H]2C)s1 336631372 346480163 /nfs/dbraw/zinc/48/01/63/346480163.db2.gz BKPIFDVJAFYIPM-MRVPVSSYSA-N 0 3 196.319 2.436 10 0 AEAEHN C[C@H]1COC[C@@H](C)N1C1CCCC1 336626667 346480307 /nfs/dbraw/zinc/48/03/07/346480307.db2.gz IBQQISTZQYSSKQ-AOOOYVTPSA-N 0 3 183.295 2.038 10 0 AEAEHN C/C=C\CN(C)[C@@H]1CC1(C)C 379177578 346489372 /nfs/dbraw/zinc/48/93/72/346489372.db2.gz NUXKAQMGHPMWTH-SSJHQANKSA-N 0 3 153.269 2.293 10 0 AEAEHN C/C=C\CN(C)[C@H]1CC1(C)C 379177579 346489417 /nfs/dbraw/zinc/48/94/17/346489417.db2.gz NUXKAQMGHPMWTH-UDIARPCQSA-N 0 3 153.269 2.293 10 0 AEAEHN C/C=C\CNCc1ccsc1 379092251 346489451 /nfs/dbraw/zinc/48/94/51/346489451.db2.gz JBIILBUKGYVZTD-IHWYPQMZSA-N 0 3 167.277 2.414 10 0 AEAEHN CC(C)[C@@H](C)SCCN(C)C 379252730 346490511 /nfs/dbraw/zinc/49/05/11/346490511.db2.gz GTRZETZJRWFXGV-SECBINFHSA-N 0 3 175.341 2.326 10 0 AEAEHN CC(C)[C@H](C)SCCN(C)C 379252731 346490726 /nfs/dbraw/zinc/49/07/26/346490726.db2.gz GTRZETZJRWFXGV-VIFPVBQESA-N 0 3 175.341 2.326 10 0 AEAEHN C/C=C\CNCc1ccncc1C 379259442 346490904 /nfs/dbraw/zinc/49/09/04/346490904.db2.gz PARWSSHUYICCEU-ARJAWSKDSA-N 0 3 176.263 2.056 10 0 AEAEHN CCC[C@@H](C)SCCN(C)C 379276987 346491414 /nfs/dbraw/zinc/49/14/14/346491414.db2.gz ALQDMEXYLDCXHL-SECBINFHSA-N 0 3 175.341 2.470 10 0 AEAEHN C/C=C\CNCc1ccc(F)cc1 379287027 346491380 /nfs/dbraw/zinc/49/13/80/346491380.db2.gz YUVHUAOZGQFZPH-IHWYPQMZSA-N 0 3 179.238 2.491 10 0 AEAEHN CCC[C@H](C)SCCN(C)C 379276989 346491455 /nfs/dbraw/zinc/49/14/55/346491455.db2.gz ALQDMEXYLDCXHL-VIFPVBQESA-N 0 3 175.341 2.470 10 0 AEAEHN CSCCCN(C)CC1(F)CC1 379338791 346503672 /nfs/dbraw/zinc/50/36/72/346503672.db2.gz PMTMWKBQIGFDTL-UHFFFAOYSA-N 0 3 191.315 2.173 10 0 AEAEHN CCSCCNCc1occc1C 379344807 346504014 /nfs/dbraw/zinc/50/40/14/346504014.db2.gz AZUUFXNLWSABLS-UHFFFAOYSA-N 0 3 199.319 2.431 10 0 AEAEHN CCC(C)(C)NCc1cc(C)no1 379363248 346507127 /nfs/dbraw/zinc/50/71/27/346507127.db2.gz FVOICXMEVMIXLA-UHFFFAOYSA-N 0 3 182.267 2.261 10 0 AEAEHN CC(C)=CCN(C)C[C@H]1CCCO1 379408063 346519959 /nfs/dbraw/zinc/51/99/59/346519959.db2.gz AITODHDLUXKVIS-LLVKDONJSA-N 0 3 183.295 2.063 10 0 AEAEHN C/C=C\CNCc1cccc(OC)c1 379487125 346523595 /nfs/dbraw/zinc/52/35/95/346523595.db2.gz CHBSFAFAYUAJEB-ARJAWSKDSA-N 0 3 191.274 2.361 10 0 AEAEHN Cc1cc(CNC[C@@H](C)C(C)C)on1 379540503 346524987 /nfs/dbraw/zinc/52/49/87/346524987.db2.gz OVPHPXNVGSXLBQ-SECBINFHSA-N 0 3 196.294 2.365 10 0 AEAEHN CCC1(CNCc2cc(C)no2)CC1 379545095 346525018 /nfs/dbraw/zinc/52/50/18/346525018.db2.gz VPXCRRFTGGDKSH-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN Cc1cc(CNC[C@H](C)C(C)C)on1 379540506 346525232 /nfs/dbraw/zinc/52/52/32/346525232.db2.gz OVPHPXNVGSXLBQ-VIFPVBQESA-N 0 3 196.294 2.365 10 0 AEAEHN Cc1cc(CNC[C@@H](C)C2CC2)on1 379601376 346527193 /nfs/dbraw/zinc/52/71/93/346527193.db2.gz LRYQGVOUHWXIMB-MRVPVSSYSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1cc(CNC[C@H](C)C2CC2)on1 379601381 346527201 /nfs/dbraw/zinc/52/72/01/346527201.db2.gz LRYQGVOUHWXIMB-QMMMGPOBSA-N 0 3 194.278 2.119 10 0 AEAEHN C/C=C\CNCc1cnccc1C 381834886 346529695 /nfs/dbraw/zinc/52/96/95/346529695.db2.gz GIZLXEHTUODEQJ-ARJAWSKDSA-N 0 3 176.263 2.056 10 0 AEAEHN CCCCCNCc1cnc(C)nc1 381561075 346529707 /nfs/dbraw/zinc/52/97/07/346529707.db2.gz NCTXWYRLNPTUBY-UHFFFAOYSA-N 0 3 193.294 2.065 10 0 AEAEHN C[C@@H]1CC[C@H](SCCN(C)C)C1 382003203 346531235 /nfs/dbraw/zinc/53/12/35/346531235.db2.gz AESWRJZCOGINMQ-ZJUUUORDSA-N 0 3 187.352 2.470 10 0 AEAEHN C[C@H]1CC[C@H](SCCN(C)C)C1 382003200 346531519 /nfs/dbraw/zinc/53/15/19/346531519.db2.gz AESWRJZCOGINMQ-UWVGGRQHSA-N 0 3 187.352 2.470 10 0 AEAEHN C[C@H]1CC[C@@H](SCCN(C)C)C1 382003201 346531536 /nfs/dbraw/zinc/53/15/36/346531536.db2.gz AESWRJZCOGINMQ-VHSXEESVSA-N 0 3 187.352 2.470 10 0 AEAEHN C[C@@H]1CC[C@@H](SCCN(C)C)C1 382003198 346531939 /nfs/dbraw/zinc/53/19/39/346531939.db2.gz AESWRJZCOGINMQ-NXEZZACHSA-N 0 3 187.352 2.470 10 0 AEAEHN Cc1nc(C)c(CN[C@@H](C)C(C)C)o1 382168263 346533317 /nfs/dbraw/zinc/53/33/17/346533317.db2.gz PFTTZMORAVNNDE-QMMMGPOBSA-N 0 3 196.294 2.426 10 0 AEAEHN Cc1nc(C)c(CN[C@H](C)C(C)C)o1 382168262 346533384 /nfs/dbraw/zinc/53/33/84/346533384.db2.gz PFTTZMORAVNNDE-MRVPVSSYSA-N 0 3 196.294 2.426 10 0 AEAEHN Cc1nc(C)c(CNCCC2CC2)o1 382265767 346534107 /nfs/dbraw/zinc/53/41/07/346534107.db2.gz OMOJGOYSCXKVLA-UHFFFAOYSA-N 0 3 194.278 2.181 10 0 AEAEHN C/N=C\c1ccc(Cl)cc1 382599252 346535761 /nfs/dbraw/zinc/53/57/61/346535761.db2.gz MVKUBKNVOVQEAV-POHAHGRESA-N 0 3 153.612 2.389 10 0 AEAEHN C/C=C\CNCc1cccc(O)c1 383683874 346536531 /nfs/dbraw/zinc/53/65/31/346536531.db2.gz CWNAZSBSLQSSTN-IHWYPQMZSA-N 0 3 177.247 2.058 10 0 AEAEHN C/C=C/CNCc1cccc(O)c1 383683880 346536616 /nfs/dbraw/zinc/53/66/16/346536616.db2.gz CWNAZSBSLQSSTN-NSCUHMNNSA-N 0 3 177.247 2.058 10 0 AEAEHN C/C=C/CNCc1cccnc1C 384759576 346539224 /nfs/dbraw/zinc/53/92/24/346539224.db2.gz AGTWQWSTXDIAOB-ONEGZZNKSA-N 0 3 176.263 2.056 10 0 AEAEHN C/C=C\CNCc1cccnc1C 384759570 346539378 /nfs/dbraw/zinc/53/93/78/346539378.db2.gz AGTWQWSTXDIAOB-ARJAWSKDSA-N 0 3 176.263 2.056 10 0 AEAEHN C/C=C\CN[C@@H]1CCc2cccnc21 384834688 346539990 /nfs/dbraw/zinc/53/99/90/346539990.db2.gz HNRRBAHWDHVXFR-OTDNITJGSA-N 0 3 188.274 2.235 10 0 AEAEHN C/C=C\CN[C@H]1CCc2cccnc21 384834689 346540126 /nfs/dbraw/zinc/54/01/26/346540126.db2.gz HNRRBAHWDHVXFR-QUCGXOGASA-N 0 3 188.274 2.235 10 0 AEAEHN C/C=C\CNCc1scnc1C 384869228 346540207 /nfs/dbraw/zinc/54/02/07/346540207.db2.gz OMEMCAJSMKIBFU-ARJAWSKDSA-N 0 3 182.292 2.117 10 0 AEAEHN C/C=C/CNCc1scnc1C 384869229 346540335 /nfs/dbraw/zinc/54/03/35/346540335.db2.gz OMEMCAJSMKIBFU-ONEGZZNKSA-N 0 3 182.292 2.117 10 0 AEAEHN C/C=C/CNCc1ccc(C#N)s1 384897068 346540663 /nfs/dbraw/zinc/54/06/63/346540663.db2.gz VMGSZFRBIWFPSV-NSCUHMNNSA-N 0 3 192.287 2.285 10 0 AEAEHN C/C=C/CNCc1cc(C#N)cs1 384877956 346540672 /nfs/dbraw/zinc/54/06/72/346540672.db2.gz QBNZCSGUQNOYQU-NSCUHMNNSA-N 0 3 192.287 2.285 10 0 AEAEHN C/C=C\CNCc1ccc(C#N)s1 384897067 346540707 /nfs/dbraw/zinc/54/07/07/346540707.db2.gz VMGSZFRBIWFPSV-IHWYPQMZSA-N 0 3 192.287 2.285 10 0 AEAEHN C/C=C/CN[C@H](C)c1cncs1 384888151 346540773 /nfs/dbraw/zinc/54/07/73/346540773.db2.gz SPVIVYYWJKBHRP-MPJRPATESA-N 0 3 182.292 2.370 10 0 AEAEHN C/C=C\CN[C@@H](C)c1cncs1 384888154 346540853 /nfs/dbraw/zinc/54/08/53/346540853.db2.gz SPVIVYYWJKBHRP-VEMNSZJBSA-N 0 3 182.292 2.370 10 0 AEAEHN C/C=C\CNCc1cc(C#N)cs1 384877952 346541062 /nfs/dbraw/zinc/54/10/62/346541062.db2.gz QBNZCSGUQNOYQU-IHWYPQMZSA-N 0 3 192.287 2.285 10 0 AEAEHN C/C=C/CN[C@@H](C)c1cncs1 384888152 346541130 /nfs/dbraw/zinc/54/11/30/346541130.db2.gz SPVIVYYWJKBHRP-RTMURIBGSA-N 0 3 182.292 2.370 10 0 AEAEHN C/C=C\CN[C@H](C)c1cncs1 384888153 346541158 /nfs/dbraw/zinc/54/11/58/346541158.db2.gz SPVIVYYWJKBHRP-TUUFMJSCSA-N 0 3 182.292 2.370 10 0 AEAEHN C/C=C/CNCc1cnc(CC)s1 384885334 346541162 /nfs/dbraw/zinc/54/11/62/346541162.db2.gz RXRORRRGNUGZLE-HWKANZROSA-N 0 3 196.319 2.371 10 0 AEAEHN C/C=C\CNCc1cnn(C(C)C)c1 385090815 346542629 /nfs/dbraw/zinc/54/26/29/346542629.db2.gz XZKGHWUHSMKOGT-PLNGDYQASA-N 0 3 193.294 2.130 10 0 AEAEHN C/C=C/CNCc1cnn(C(C)C)c1 385090819 346542865 /nfs/dbraw/zinc/54/28/65/346542865.db2.gz XZKGHWUHSMKOGT-SNAWJCMRSA-N 0 3 193.294 2.130 10 0 AEAEHN CC(C)=CCSCCN(C)C 388030268 346545895 /nfs/dbraw/zinc/54/58/95/346545895.db2.gz HINZGCXRONBRDZ-UHFFFAOYSA-N 0 3 173.325 2.247 10 0 AEAEHN C/C=C\CNCc1ccccc1F 388116123 346546724 /nfs/dbraw/zinc/54/67/24/346546724.db2.gz AXXVAQCIAVQZIQ-IHWYPQMZSA-N 0 3 179.238 2.491 10 0 AEAEHN CCOCCN(CC)CC=C(C)C 388200590 346548198 /nfs/dbraw/zinc/54/81/98/346548198.db2.gz AMGCFRKDRBLJFO-UHFFFAOYSA-N 0 3 185.311 2.311 10 0 AEAEHN CC(C)SCCNCC1(F)CC1 388455827 346556073 /nfs/dbraw/zinc/55/60/73/346556073.db2.gz CUBPLVLMHLRZQR-UHFFFAOYSA-N 0 3 191.315 2.220 10 0 AEAEHN C/C=C\CNCc1ccc(C#N)cc1 389160101 346569946 /nfs/dbraw/zinc/56/99/46/346569946.db2.gz QRWGKTOJCCMEKI-IHWYPQMZSA-N 0 3 186.258 2.224 10 0 AEAEHN C/C=C\CNCc1ccnc(C)c1 391200859 346574080 /nfs/dbraw/zinc/57/40/80/346574080.db2.gz LKMCNTPKUKNPDV-ARJAWSKDSA-N 0 3 176.263 2.056 10 0 AEAEHN C/C=C/CNCc1ccnc(C)c1 391200861 346574255 /nfs/dbraw/zinc/57/42/55/346574255.db2.gz LKMCNTPKUKNPDV-ONEGZZNKSA-N 0 3 176.263 2.056 10 0 AEAEHN CCSCCNCc1ccoc1C 393719518 346582514 /nfs/dbraw/zinc/58/25/14/346582514.db2.gz MPMBQBVNJSVMSK-UHFFFAOYSA-N 0 3 199.319 2.431 10 0 AEAEHN CC1(C)SC[C@H]1NC/C=C\Cl 393887022 346583114 /nfs/dbraw/zinc/58/31/14/346583114.db2.gz UDUFFQJXPOCFIN-KFOINNEUSA-N 0 3 191.727 2.223 10 0 AEAEHN CC1(C)SC[C@@H]1NC/C=C\Cl 393887021 346583360 /nfs/dbraw/zinc/58/33/60/346583360.db2.gz UDUFFQJXPOCFIN-AVALRIAPSA-N 0 3 191.727 2.223 10 0 AEAEHN C/C=C\CNCc1ccnn1C(C)C 394595233 346584766 /nfs/dbraw/zinc/58/47/66/346584766.db2.gz IFEYFDYVIKMTNS-PLNGDYQASA-N 0 3 193.294 2.130 10 0 AEAEHN C/C=C/CNCc1ccnn1C(C)C 394595241 346584816 /nfs/dbraw/zinc/58/48/16/346584816.db2.gz IFEYFDYVIKMTNS-SNAWJCMRSA-N 0 3 193.294 2.130 10 0 AEAEHN C/C=C\CNCc1ccc(C)cn1 394998029 346585611 /nfs/dbraw/zinc/58/56/11/346585611.db2.gz DTUCWBLVQXNSJV-ARJAWSKDSA-N 0 3 176.263 2.056 10 0 AEAEHN C/C=C/CNCc1ccc(C)cn1 394998032 346585741 /nfs/dbraw/zinc/58/57/41/346585741.db2.gz DTUCWBLVQXNSJV-ONEGZZNKSA-N 0 3 176.263 2.056 10 0 AEAEHN C/C=C\CNCc1cncn1C(C)C 395032678 346586080 /nfs/dbraw/zinc/58/60/80/346586080.db2.gz BCNANEAVVQQSQL-PLNGDYQASA-N 0 3 193.294 2.130 10 0 AEAEHN C/C=C/CNCc1cncn1C(C)C 395032686 346586387 /nfs/dbraw/zinc/58/63/87/346586387.db2.gz BCNANEAVVQQSQL-SNAWJCMRSA-N 0 3 193.294 2.130 10 0 AEAEHN CC(C)=CCCNCc1cc(C)no1 397825826 346593547 /nfs/dbraw/zinc/59/35/47/346593547.db2.gz PKUQMUPYWUHYJC-UHFFFAOYSA-N 0 3 194.278 2.429 10 0 AEAEHN CCCCCNCc1cnc(C)o1 397883965 346593720 /nfs/dbraw/zinc/59/37/20/346593720.db2.gz CFVOSAJIFXPRSW-UHFFFAOYSA-N 0 3 182.267 2.263 10 0 AEAEHN Cc1ncc(CNCCCC2CC2)o1 397900504 346593832 /nfs/dbraw/zinc/59/38/32/346593832.db2.gz WJRWOCWRSDCRHW-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN Cc1nocc1CN[C@H](C)[C@@H]1C[C@@H]1C 398119578 346594266 /nfs/dbraw/zinc/59/42/66/346594266.db2.gz WJZSDTILTPSEDY-JVUFJMBOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CNC[C@H](C)C(C)C)o1 397967488 346594475 /nfs/dbraw/zinc/59/44/75/346594475.db2.gz YNSULJOQHXZIND-VIFPVBQESA-N 0 3 196.294 2.365 10 0 AEAEHN Cc1nocc1CN[C@H](C)[C@@H]1C[C@H]1C 398119576 346594574 /nfs/dbraw/zinc/59/45/74/346594574.db2.gz WJZSDTILTPSEDY-BCMRRPTOSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ncc(CNC[C@@H](C)C(C)C)o1 397967487 346594599 /nfs/dbraw/zinc/59/45/99/346594599.db2.gz YNSULJOQHXZIND-SECBINFHSA-N 0 3 196.294 2.365 10 0 AEAEHN Cc1nocc1CN[C@H](C)[C@H]1C[C@@H]1C 398119580 346594675 /nfs/dbraw/zinc/59/46/75/346594675.db2.gz WJZSDTILTPSEDY-NMLBEHRDSA-N 0 3 194.278 2.117 10 0 AEAEHN CC(=O)CN(C)C[C@H](C)C(C)(C)C 399666457 346599379 /nfs/dbraw/zinc/59/93/79/346599379.db2.gz BDWAEULJDSVFCH-VIFPVBQESA-N 0 3 185.311 2.189 10 0 AEAEHN COCCNCc1csc(C)c1C 399852250 346599418 /nfs/dbraw/zinc/59/94/18/346599418.db2.gz ZJVWFNBHPYTZBT-UHFFFAOYSA-N 0 3 199.319 2.101 10 0 AEAEHN CC(=O)CN(C)C[C@@H](C)C(C)(C)C 399666455 346599929 /nfs/dbraw/zinc/59/99/29/346599929.db2.gz BDWAEULJDSVFCH-SECBINFHSA-N 0 3 185.311 2.189 10 0 AEAEHN C[C@@H]1CNC[C@](F)(c2ccco2)C1 401872625 346621104 /nfs/dbraw/zinc/62/11/04/346621104.db2.gz LSTRPVQGOLJQOQ-WPRPVWTQSA-N 0 3 183.226 2.074 10 0 AEAEHN C[C@H]1CNC[C@](F)(c2ccco2)C1 401872621 346621122 /nfs/dbraw/zinc/62/11/22/346621122.db2.gz LSTRPVQGOLJQOQ-SCZZXKLOSA-N 0 3 183.226 2.074 10 0 AEAEHN C[C@H]1CNC[C@@](F)(c2ccco2)C1 401872618 346621150 /nfs/dbraw/zinc/62/11/50/346621150.db2.gz LSTRPVQGOLJQOQ-PSASIEDQSA-N 0 3 183.226 2.074 10 0 AEAEHN C[C@@H]1CNC[C@@](F)(c2ccco2)C1 401872624 346621188 /nfs/dbraw/zinc/62/11/88/346621188.db2.gz LSTRPVQGOLJQOQ-WCBMZHEXSA-N 0 3 183.226 2.074 10 0 AEAEHN C[C@@H]1CNC[C@@](F)(c2ccoc2)C1 401891458 346622219 /nfs/dbraw/zinc/62/22/19/346622219.db2.gz XSMNPDCTCDLJDJ-WCBMZHEXSA-N 0 3 183.226 2.074 10 0 AEAEHN CC(C)=C[C@@]1(F)CNC[C@@H](C)C1 401883017 346622239 /nfs/dbraw/zinc/62/22/39/346622239.db2.gz RMMNSABTKMFGFX-UWVGGRQHSA-N 0 3 171.259 2.290 10 0 AEAEHN C[C@H]1CNC[C@@](F)(c2ccoc2)C1 401891456 346622320 /nfs/dbraw/zinc/62/23/20/346622320.db2.gz XSMNPDCTCDLJDJ-PSASIEDQSA-N 0 3 183.226 2.074 10 0 AEAEHN CC(C)=C[C@@]1(F)CNC[C@H](C)C1 401883024 346622370 /nfs/dbraw/zinc/62/23/70/346622370.db2.gz RMMNSABTKMFGFX-ZJUUUORDSA-N 0 3 171.259 2.290 10 0 AEAEHN C[C@@H]1CNC[C@](F)(c2ccoc2)C1 401891459 346622568 /nfs/dbraw/zinc/62/25/68/346622568.db2.gz XSMNPDCTCDLJDJ-WPRPVWTQSA-N 0 3 183.226 2.074 10 0 AEAEHN CC(C)=C[C@]1(F)CNC[C@H](C)C1 401883015 346622654 /nfs/dbraw/zinc/62/26/54/346622654.db2.gz RMMNSABTKMFGFX-NXEZZACHSA-N 0 3 171.259 2.290 10 0 AEAEHN CC(C)=C[C@]1(F)CNC[C@@H](C)C1 401883019 346622583 /nfs/dbraw/zinc/62/25/83/346622583.db2.gz RMMNSABTKMFGFX-VHSXEESVSA-N 0 3 171.259 2.290 10 0 AEAEHN C[C@H]1CNC[C@](F)(c2ccoc2)C1 401891457 346622625 /nfs/dbraw/zinc/62/26/25/346622625.db2.gz XSMNPDCTCDLJDJ-SCZZXKLOSA-N 0 3 183.226 2.074 10 0 AEAEHN Cc1nocc1[C@H]1CCCCCN1 402591187 346630953 /nfs/dbraw/zinc/63/09/53/346630953.db2.gz KAQRFHHTUHKRON-SNVBAGLBSA-N 0 3 180.251 2.188 10 0 AEAEHN Cc1nocc1[C@@H]1CCCCCN1 402591186 346631037 /nfs/dbraw/zinc/63/10/37/346631037.db2.gz KAQRFHHTUHKRON-JTQLQIEISA-N 0 3 180.251 2.188 10 0 AEAEHN NC[C@H](F)c1cccc2cnsc12 402937990 346633308 /nfs/dbraw/zinc/63/33/08/346633308.db2.gz ZDGNWEGFJLRSHH-QMMMGPOBSA-N 0 3 196.250 2.266 10 0 AEAEHN NC[C@@H](F)c1cccc2cnsc12 402937988 346633567 /nfs/dbraw/zinc/63/35/67/346633567.db2.gz ZDGNWEGFJLRSHH-MRVPVSSYSA-N 0 3 196.250 2.266 10 0 AEAEHN CC1(NCC=C(Cl)Cl)CC1 403361456 346635731 /nfs/dbraw/zinc/63/57/31/346635731.db2.gz KURKRTOUQOWATA-UHFFFAOYSA-N 0 3 180.078 2.448 10 0 AEAEHN ClC(Cl)=CCNC1CC1 403356400 346635814 /nfs/dbraw/zinc/63/58/14/346635814.db2.gz JMGLRFKKWJAIER-UHFFFAOYSA-N 0 3 166.051 2.057 10 0 AEAEHN C[C@H]1C[C@@H]1NCC=C(Cl)Cl 403405836 346636161 /nfs/dbraw/zinc/63/61/61/346636161.db2.gz SYQQVTGEFNDCHP-WDSKDSINSA-N 0 3 180.078 2.303 10 0 AEAEHN C[C@H]1C[C@H]1NCC=C(Cl)Cl 403405830 346636204 /nfs/dbraw/zinc/63/62/04/346636204.db2.gz SYQQVTGEFNDCHP-NTSWFWBYSA-N 0 3 180.078 2.303 10 0 AEAEHN ClC(Cl)=CCNC1CCC1 403453615 346636348 /nfs/dbraw/zinc/63/63/48/346636348.db2.gz YSTLDRRYQZOGFS-UHFFFAOYSA-N 0 3 180.078 2.448 10 0 AEAEHN C[C@@H]1C[C@H]1NCC=C(Cl)Cl 403405832 346636407 /nfs/dbraw/zinc/63/64/07/346636407.db2.gz SYQQVTGEFNDCHP-PHDIDXHHSA-N 0 3 180.078 2.303 10 0 AEAEHN C[C@@H]1C[C@@H]1NCC=C(Cl)Cl 403405834 346636431 /nfs/dbraw/zinc/63/64/31/346636431.db2.gz SYQQVTGEFNDCHP-RITPCOANSA-N 0 3 180.078 2.303 10 0 AEAEHN Cc1cc([C@H]2NCC2(C)C)sn1 404451148 346643252 /nfs/dbraw/zinc/64/32/52/346643252.db2.gz IRWGIASOSSIJRQ-MRVPVSSYSA-N 0 3 182.292 2.122 10 0 AEAEHN Cc1cc([C@@H]2NCC2(C)C)sn1 404451149 346643373 /nfs/dbraw/zinc/64/33/73/346643373.db2.gz IRWGIASOSSIJRQ-QMMMGPOBSA-N 0 3 182.292 2.122 10 0 AEAEHN c1cc([C@H]2NCC23CCCC3)sn1 404458619 346643460 /nfs/dbraw/zinc/64/34/60/346643460.db2.gz OZXQFKVOUGDFJB-SECBINFHSA-N 0 3 194.303 2.348 10 0 AEAEHN CC[C@]1(C)CN[C@@H]1c1ccns1 404459241 346643519 /nfs/dbraw/zinc/64/35/19/346643519.db2.gz PRBPSOIDGXZKOM-RKDXNWHRSA-N 0 3 182.292 2.204 10 0 AEAEHN c1cc([C@@H]2NC[C@@H]2C2CCC2)sn1 404457452 346643604 /nfs/dbraw/zinc/64/36/04/346643604.db2.gz NSWWTNPEZXBNPP-PSASIEDQSA-N 0 3 194.303 2.204 10 0 AEAEHN c1cc([C@H]2NC[C@H]2C2CCC2)sn1 404457456 346643642 /nfs/dbraw/zinc/64/36/42/346643642.db2.gz NSWWTNPEZXBNPP-WPRPVWTQSA-N 0 3 194.303 2.204 10 0 AEAEHN c1cc([C@H]2NC[C@@H]2C2CCC2)sn1 404457453 346643682 /nfs/dbraw/zinc/64/36/82/346643682.db2.gz NSWWTNPEZXBNPP-SCZZXKLOSA-N 0 3 194.303 2.204 10 0 AEAEHN CC[C@@]1(C)CN[C@@H]1c1ccns1 404459238 346643736 /nfs/dbraw/zinc/64/37/36/346643736.db2.gz PRBPSOIDGXZKOM-BDAKNGLRSA-N 0 3 182.292 2.204 10 0 AEAEHN c1cc([C@@H]2NCC23CCCC3)sn1 404458620 346643782 /nfs/dbraw/zinc/64/37/82/346643782.db2.gz OZXQFKVOUGDFJB-VIFPVBQESA-N 0 3 194.303 2.348 10 0 AEAEHN CC[C@@]1(C)CN[C@H]1c1ccns1 404459240 346643847 /nfs/dbraw/zinc/64/38/47/346643847.db2.gz PRBPSOIDGXZKOM-IUCAKERBSA-N 0 3 182.292 2.204 10 0 AEAEHN c1cc([C@@H]2NC[C@H]2C2CCC2)sn1 404457455 346643953 /nfs/dbraw/zinc/64/39/53/346643953.db2.gz NSWWTNPEZXBNPP-WCBMZHEXSA-N 0 3 194.303 2.204 10 0 AEAEHN CC[C@]1(C)CN[C@H]1c1ccns1 404459239 346643958 /nfs/dbraw/zinc/64/39/58/346643958.db2.gz PRBPSOIDGXZKOM-DTWKUNHWSA-N 0 3 182.292 2.204 10 0 AEAEHN CC(C)[C@H]1CN[C@@H]1c1ccns1 404471075 346644213 /nfs/dbraw/zinc/64/42/13/346644213.db2.gz YVWLJEJTJCVVNE-APPZFPTMSA-N 0 3 182.292 2.060 10 0 AEAEHN Cc1cc([C@H]2NCC23CCC3)sn1 404463104 346644248 /nfs/dbraw/zinc/64/42/48/346644248.db2.gz SUPZQKMSHDSSAP-SECBINFHSA-N 0 3 194.303 2.266 10 0 AEAEHN CC(C)[C@@H]1CN[C@@H]1c1ccns1 404471076 346644260 /nfs/dbraw/zinc/64/42/60/346644260.db2.gz YVWLJEJTJCVVNE-CBAPKCEASA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)[C@H]1CN[C@H]1c1ccns1 404471080 346644307 /nfs/dbraw/zinc/64/43/07/346644307.db2.gz YVWLJEJTJCVVNE-VXNVDRBHSA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@@H]1c1ccns1 404471725 346644313 /nfs/dbraw/zinc/64/43/13/346644313.db2.gz ZNSSSYJEUSUIGK-APPZFPTMSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@@H]1CN[C@H]1c1ccns1 404471732 346644340 /nfs/dbraw/zinc/64/43/40/346644340.db2.gz ZNSSSYJEUSUIGK-VXNVDRBHSA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@@H]1c1ccns1 404471726 346644359 /nfs/dbraw/zinc/64/43/59/346644359.db2.gz ZNSSSYJEUSUIGK-CBAPKCEASA-N 0 3 196.319 2.450 10 0 AEAEHN CC(C)[C@@H]1CN[C@H]1c1ccns1 404471078 346644377 /nfs/dbraw/zinc/64/43/77/346644377.db2.gz YVWLJEJTJCVVNE-IONNQARKSA-N 0 3 182.292 2.060 10 0 AEAEHN CC(C)(C)[C@H]1CN[C@H]1c1ccns1 404471729 346644431 /nfs/dbraw/zinc/64/44/31/346644431.db2.gz ZNSSSYJEUSUIGK-IONNQARKSA-N 0 3 196.319 2.450 10 0 AEAEHN CC[C@H](C)NCc1ccns1 404480129 346644952 /nfs/dbraw/zinc/64/49/52/346644952.db2.gz VSUHHDMPXNQJEP-ZETCQYMHSA-N 0 3 170.281 2.031 10 0 AEAEHN CC[C@@H](C)NCc1ccns1 404480124 346644961 /nfs/dbraw/zinc/64/49/61/346644961.db2.gz VSUHHDMPXNQJEP-SSDOTTSWSA-N 0 3 170.281 2.031 10 0 AEAEHN C[C@H](NCc1ccns1)C1CCC1 404488208 346645366 /nfs/dbraw/zinc/64/53/66/346645366.db2.gz NCYYXGRPXHYRBG-QMMMGPOBSA-N 0 3 196.319 2.421 10 0 AEAEHN CC1(CNCc2ccns2)CC1 404488299 346645400 /nfs/dbraw/zinc/64/54/00/346645400.db2.gz DXSMTMLECYYCNA-UHFFFAOYSA-N 0 3 182.292 2.033 10 0 AEAEHN C[C@@H](NCc1ccns1)C1CCC1 404488206 346645424 /nfs/dbraw/zinc/64/54/24/346645424.db2.gz NCYYXGRPXHYRBG-MRVPVSSYSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@@H](NCc1ccns1)C1CC1 404489261 346645528 /nfs/dbraw/zinc/64/55/28/346645528.db2.gz FYONJKSFHHINAK-SSDOTTSWSA-N 0 3 182.292 2.031 10 0 AEAEHN CC(C)[C@@H](C)NCc1ccns1 404508180 346645976 /nfs/dbraw/zinc/64/59/76/346645976.db2.gz NVVWAEHKEYBLJI-MRVPVSSYSA-N 0 3 184.308 2.277 10 0 AEAEHN CCC(CC)NCc1ccns1 404504042 346646036 /nfs/dbraw/zinc/64/60/36/346646036.db2.gz JWIWBRXGEREDOE-UHFFFAOYSA-N 0 3 184.308 2.421 10 0 AEAEHN CCC[C@H](C)NCc1ccns1 404516738 346646041 /nfs/dbraw/zinc/64/60/41/346646041.db2.gz WKJOFLYCWJUFRP-QMMMGPOBSA-N 0 3 184.308 2.421 10 0 AEAEHN CCC[C@@H](C)NCc1ccns1 404516737 346646072 /nfs/dbraw/zinc/64/60/72/346646072.db2.gz WKJOFLYCWJUFRP-MRVPVSSYSA-N 0 3 184.308 2.421 10 0 AEAEHN CC1CC(NCc2ccns2)C1 404503523 346646086 /nfs/dbraw/zinc/64/60/86/346646086.db2.gz JKBMCOGSEIDWEC-UHFFFAOYSA-N 0 3 182.292 2.031 10 0 AEAEHN c1cc(CNC2CCCC2)sn1 404516817 346646108 /nfs/dbraw/zinc/64/61/08/346646108.db2.gz WOYFDTVENDNHHD-UHFFFAOYSA-N 0 3 182.292 2.175 10 0 AEAEHN C[C@@H]1CC[C@@H]1NCc1ccns1 404517913 346646128 /nfs/dbraw/zinc/64/61/28/346646128.db2.gz YBVBZWBRWZCEAY-APPZFPTMSA-N 0 3 182.292 2.031 10 0 AEAEHN C[C@H]1CC[C@@H]1NCc1ccns1 404517914 346646523 /nfs/dbraw/zinc/64/65/23/346646523.db2.gz YBVBZWBRWZCEAY-CBAPKCEASA-N 0 3 182.292 2.031 10 0 AEAEHN CC1(C)CC(NCc2ccns2)C1 404518966 346646545 /nfs/dbraw/zinc/64/65/45/346646545.db2.gz YVOIZCRBSTUFTL-UHFFFAOYSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@@H]1CC[C@H]1NCc1ccns1 404518302 346646550 /nfs/dbraw/zinc/64/65/50/346646550.db2.gz YBVBZWBRWZCEAY-VXNVDRBHSA-N 0 3 182.292 2.031 10 0 AEAEHN C[C@H]1CC[C@H]1NCc1ccns1 404518299 346646599 /nfs/dbraw/zinc/64/65/99/346646599.db2.gz YBVBZWBRWZCEAY-IONNQARKSA-N 0 3 182.292 2.031 10 0 AEAEHN NCc1ccc(-c2cnsc2)s1 404606698 346647561 /nfs/dbraw/zinc/64/75/61/346647561.db2.gz CPOGASHEEJOREP-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN NCc1cc(-c2cnsc2)cs1 404610250 346647746 /nfs/dbraw/zinc/64/77/46/346647746.db2.gz GEYYUYHACNLTKJ-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN NCc1sccc1-c1cnsc1 404617692 346647769 /nfs/dbraw/zinc/64/77/69/346647769.db2.gz LBHVIDZSMIXZAO-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H](N)c1cnsc1 404674279 346648477 /nfs/dbraw/zinc/64/84/77/346648477.db2.gz BRZFJHROZZJABO-SFYZADRCSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@@H](N)c1cnsc1 404674282 346648529 /nfs/dbraw/zinc/64/85/29/346648529.db2.gz BRZFJHROZZJABO-YUMQZZPRSA-N 0 3 182.292 2.189 10 0 AEAEHN N[C@H](c1cnsc1)C1CCCC1 404675254 346648627 /nfs/dbraw/zinc/64/86/27/346648627.db2.gz CNBBWPAZGNYBKH-VIFPVBQESA-N 0 3 182.292 2.333 10 0 AEAEHN CC1(C)C[C@@H]1[C@H](N)c1cnsc1 404674275 346648663 /nfs/dbraw/zinc/64/86/63/346648663.db2.gz BRZFJHROZZJABO-HTQZYQBOSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@H](N)c1cnsc1 404674278 346648671 /nfs/dbraw/zinc/64/86/71/346648671.db2.gz BRZFJHROZZJABO-JGVFFNPUSA-N 0 3 182.292 2.189 10 0 AEAEHN CN[C@@H](c1cnsc1)C(C)C 404676611 346648689 /nfs/dbraw/zinc/64/86/89/346648689.db2.gz DMPYPURLBMZKNH-MRVPVSSYSA-N 0 3 170.281 2.060 10 0 AEAEHN CN[C@H](c1cnsc1)C(C)C 404676613 346648783 /nfs/dbraw/zinc/64/87/83/346648783.db2.gz DMPYPURLBMZKNH-QMMMGPOBSA-N 0 3 170.281 2.060 10 0 AEAEHN N[C@@H](c1cnsc1)C1CCCC1 404675252 346648806 /nfs/dbraw/zinc/64/88/06/346648806.db2.gz CNBBWPAZGNYBKH-SECBINFHSA-N 0 3 182.292 2.333 10 0 AEAEHN NCc1csc(-c2cnsc2)c1 404672811 346648884 /nfs/dbraw/zinc/64/88/84/346648884.db2.gz ZIOBRQFKZVTEFI-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC(C)(C)NCc1cnsc1 404680064 346649057 /nfs/dbraw/zinc/64/90/57/346649057.db2.gz GSHNNGIHQIWRSR-UHFFFAOYSA-N 0 3 170.281 2.031 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1cnsc1 404681199 346649101 /nfs/dbraw/zinc/64/91/01/346649101.db2.gz HWYYYZIJXFDARZ-SVRRBLITSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cnsc1 404681198 346649156 /nfs/dbraw/zinc/64/91/56/346649156.db2.gz HWYYYZIJXFDARZ-POYBYMJQSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cnsc1 404681197 346649180 /nfs/dbraw/zinc/64/91/80/346649180.db2.gz HWYYYZIJXFDARZ-HTRCEHHLSA-N 0 3 170.281 2.189 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cnsc1 404681200 346649325 /nfs/dbraw/zinc/64/93/25/346649325.db2.gz HWYYYZIJXFDARZ-XPUUQOCRSA-N 0 3 170.281 2.189 10 0 AEAEHN CC(C)(C)[C@@H](N)c1cnsc1 404680433 346649497 /nfs/dbraw/zinc/64/94/97/346649497.db2.gz HBDKLQKAOTXXBF-ZETCQYMHSA-N 0 3 170.281 2.189 10 0 AEAEHN CC(C)(C)[C@H](N)c1cnsc1 404680432 346649516 /nfs/dbraw/zinc/64/95/16/346649516.db2.gz HBDKLQKAOTXXBF-SSDOTTSWSA-N 0 3 170.281 2.189 10 0 AEAEHN Cc1cc(Cl)c2c(c1)CNCC2 404709665 346649959 /nfs/dbraw/zinc/64/99/59/346649959.db2.gz QVPSUOSIHFROTI-UHFFFAOYSA-N 0 3 181.666 2.294 10 0 AEAEHN C[C@H]1CCN[C@@H](c2cnsc2)C1 404825874 346652302 /nfs/dbraw/zinc/65/23/02/346652302.db2.gz FUSJAFQRUGRPTN-IONNQARKSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@@H]1CCN[C@H](c2cnsc2)C1 404825864 346652428 /nfs/dbraw/zinc/65/24/28/346652428.db2.gz FUSJAFQRUGRPTN-APPZFPTMSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@H]1CCN[C@H](c2cnsc2)C1 404825870 346652472 /nfs/dbraw/zinc/65/24/72/346652472.db2.gz FUSJAFQRUGRPTN-CBAPKCEASA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@@H]1CCN[C@@H](c2cnsc2)C1 404825880 346652575 /nfs/dbraw/zinc/65/25/75/346652575.db2.gz FUSJAFQRUGRPTN-VXNVDRBHSA-N 0 3 182.292 2.204 10 0 AEAEHN N[C@H](c1ccccc1)c1cnsc1 404844660 346652786 /nfs/dbraw/zinc/65/27/86/346652786.db2.gz KYBVAMIEZIDPGC-SNVBAGLBSA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@@H](c1ccccc1)c1cnsc1 404844644 346652875 /nfs/dbraw/zinc/65/28/75/346652875.db2.gz KYBVAMIEZIDPGC-JTQLQIEISA-N 0 3 190.271 2.191 10 0 AEAEHN N[C@H](c1cnsc1)[C@@H]1[C@H]2CCC[C@H]21 404862123 346653327 /nfs/dbraw/zinc/65/33/27/346653327.db2.gz SZEOXLWRWQFGDF-XFWSIPNHSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1cnsc1)[C@@H]1[C@H]2CCC[C@H]21 404862120 346653492 /nfs/dbraw/zinc/65/34/92/346653492.db2.gz SZEOXLWRWQFGDF-JLIMGVALSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1cnsc1)[C@H]1C[C@@H]2C[C@@H]2C1 404865507 346653961 /nfs/dbraw/zinc/65/39/61/346653961.db2.gz VQCUROWOYRBMJM-IBCQBUCCSA-N 0 3 194.303 2.189 10 0 AEAEHN c1nscc1[C@H]1CCCCCN1 404981682 346655531 /nfs/dbraw/zinc/65/55/31/346655531.db2.gz GPZUEVKUGVPTRQ-SECBINFHSA-N 0 3 182.292 2.348 10 0 AEAEHN NCc1csc(CC(F)(F)F)c1 409423388 346680444 /nfs/dbraw/zinc/68/04/44/346680444.db2.gz BOHAHKLNACOYMY-UHFFFAOYSA-N 0 3 195.209 2.312 10 0 AEAEHN NCc1csc(C2CCOCC2)c1 409427300 346685831 /nfs/dbraw/zinc/68/58/31/346685831.db2.gz VSPDDQXTHUYLII-UHFFFAOYSA-N 0 3 197.303 2.101 10 0 AEAEHN CC1(C)CN[C@H](C2CC2)c2cccn21 409433420 346695888 /nfs/dbraw/zinc/69/58/88/346695888.db2.gz RPQDPFXXKVGBTG-LLVKDONJSA-N 0 3 190.290 2.278 10 0 AEAEHN CC1(C)CN[C@@H](C2CC2)c2cccn21 409433425 346695984 /nfs/dbraw/zinc/69/59/84/346695984.db2.gz RPQDPFXXKVGBTG-NSHDSACASA-N 0 3 190.290 2.278 10 0 AEAEHN CC1(C)NCCO[C@H]1C1CCCCC1 409433782 346696337 /nfs/dbraw/zinc/69/63/37/346696337.db2.gz SVHCVYJEWJWYKU-NSHDSACASA-N 0 3 197.322 2.334 10 0 AEAEHN CC1(C)NCCO[C@@H]1C1CCCCC1 409433781 346696642 /nfs/dbraw/zinc/69/66/42/346696642.db2.gz SVHCVYJEWJWYKU-LLVKDONJSA-N 0 3 197.322 2.334 10 0 AEAEHN CNCc1c(C(C)C)n[nH]c1C(C)C 409439483 346703632 /nfs/dbraw/zinc/70/36/32/346703632.db2.gz IMBVDZYGFZNCQH-UHFFFAOYSA-N 0 3 195.310 2.376 10 0 AEAEHN CNCc1c(C2CCCC2)n[nH]c1C 409439527 346703964 /nfs/dbraw/zinc/70/39/64/346703964.db2.gz IUUDRYQRMCLRPV-UHFFFAOYSA-N 0 3 193.294 2.095 10 0 AEAEHN CCC(CC)c1cc(CN)nc(C)n1 409440181 346704415 /nfs/dbraw/zinc/70/44/15/346704415.db2.gz WDIVHPDAOFLWLB-UHFFFAOYSA-N 0 3 193.294 2.147 10 0 AEAEHN Cc1nn2cc[nH]c2c1-c1cccnc1 409440201 346704693 /nfs/dbraw/zinc/70/46/93/346704693.db2.gz WFJFHBRWQXGQQW-UHFFFAOYSA-N 0 3 198.229 2.033 10 0 AEAEHN CC(C)c1n[nH]c(C(C)C)c1CN 409441942 346706802 /nfs/dbraw/zinc/70/68/02/346706802.db2.gz VJKVQXCYMQHGAF-UHFFFAOYSA-N 0 3 181.283 2.115 10 0 AEAEHN CC[C@@H](C)Oc1cccc(CN)c1F 521401785 346710584 /nfs/dbraw/zinc/71/05/84/346710584.db2.gz OPZXSTSIXQTGMZ-MRVPVSSYSA-N 0 3 197.253 2.462 10 0 AEAEHN NC[C@H](F)C/C=C/c1ccccc1 575623143 346716990 /nfs/dbraw/zinc/71/69/90/346716990.db2.gz GHMVSXSJOMSAFI-TZOMUSMUSA-N 0 3 179.238 2.387 10 0 AEAEHN NC[C@@H](F)C/C=C/c1ccccc1 575623144 346717023 /nfs/dbraw/zinc/71/70/23/346717023.db2.gz GHMVSXSJOMSAFI-ZPMKCOPCSA-N 0 3 179.238 2.387 10 0 AEAEHN CC1(C)CC(C[C@@H](F)CN)C1 575623251 346717378 /nfs/dbraw/zinc/71/73/78/346717378.db2.gz CALDFABMRLHBEK-MRVPVSSYSA-N 0 3 159.248 2.110 10 0 AEAEHN CNC[C@@H](F)CC1CC(C)(C)C1 575623355 346717724 /nfs/dbraw/zinc/71/77/24/346717724.db2.gz LVQHWLDVKOROML-VIFPVBQESA-N 0 3 173.275 2.370 10 0 AEAEHN CNC[C@H](F)CC1CC(C)(C)C1 575623354 346717730 /nfs/dbraw/zinc/71/77/30/346717730.db2.gz LVQHWLDVKOROML-SECBINFHSA-N 0 3 173.275 2.370 10 0 AEAEHN CC1(C)CC(C[C@H](F)CN)C1 575623252 346717752 /nfs/dbraw/zinc/71/77/52/346717752.db2.gz CALDFABMRLHBEK-QMMMGPOBSA-N 0 3 159.248 2.110 10 0 AEAEHN CNC[C@H](F)CCc1ccccc1 575623467 346718149 /nfs/dbraw/zinc/71/81/49/346718149.db2.gz SPUNACOEPFELHJ-LLVKDONJSA-N 0 3 181.254 2.177 10 0 AEAEHN CNC[C@@H](F)CCc1ccccc1 575623468 346718390 /nfs/dbraw/zinc/71/83/90/346718390.db2.gz SPUNACOEPFELHJ-NSHDSACASA-N 0 3 181.254 2.177 10 0 AEAEHN COc1cc2c(cc1C)C=N[C@@H](C)C2 584606435 346722621 /nfs/dbraw/zinc/72/26/21/346722621.db2.gz PVEDSDBKPORDPV-VIFPVBQESA-N 0 3 189.258 2.367 10 0 AEAEHN COc1cc2c(cc1C)C=N[C@H](C)C2 584606433 346722692 /nfs/dbraw/zinc/72/26/92/346722692.db2.gz PVEDSDBKPORDPV-SECBINFHSA-N 0 3 189.258 2.367 10 0 AEAEHN C[C@@H]1CCCC(C2CC2)=N1 584608128 346724345 /nfs/dbraw/zinc/72/43/45/346724345.db2.gz WDZSXXCSGCRXHR-SSDOTTSWSA-N 0 3 137.226 2.410 10 0 AEAEHN C[C@H]1CCCC(C2CC2)=N1 584608741 346724648 /nfs/dbraw/zinc/72/46/48/346724648.db2.gz WDZSXXCSGCRXHR-ZETCQYMHSA-N 0 3 137.226 2.410 10 0 AEAEHN c1ccc2c(c1)OC[C@@H]2N1CCCC1 584612826 346728485 /nfs/dbraw/zinc/72/84/85/346728485.db2.gz POZMZPHZAWFNNX-NSHDSACASA-N 0 3 189.258 2.216 10 0 AEAEHN CC(C)Nc1cncc(Cl)c1CN 584637392 346738530 /nfs/dbraw/zinc/73/85/30/346738530.db2.gz VKNATWDALHMJFC-UHFFFAOYSA-N 0 3 199.685 2.014 10 0 AEAEHN Nc1cnc2ccc(C3CC3)cc2c1N 584881845 346749143 /nfs/dbraw/zinc/74/91/43/346749143.db2.gz FCKFTWJQBLIHLL-UHFFFAOYSA-N 0 3 199.257 2.107 10 0 AEAEHN Cc1ccc2c(N)c(N)cnc2c1C 584882139 346749708 /nfs/dbraw/zinc/74/97/08/346749708.db2.gz OQKBZWHWVLDDAW-UHFFFAOYSA-N 0 3 187.246 2.016 10 0 AEAEHN CCN(CCSC)CC1(F)CC1 592527146 346832739 /nfs/dbraw/zinc/83/27/39/346832739.db2.gz DJQHJMUULITZFV-UHFFFAOYSA-N 0 3 191.315 2.173 10 0 AEAEHN C[C@@H]1CN([C@@H]2C=CCCC2)[C@H](C)CO1 595553341 346860332 /nfs/dbraw/zinc/86/03/32/346860332.db2.gz FPYSUBWONWXPQP-IJLUTSLNSA-N 0 3 195.306 2.204 10 0 AEAEHN C[C@H]1CO[C@H](C)CN1[C@@H]1C=CCCC1 595553342 346860397 /nfs/dbraw/zinc/86/03/97/346860397.db2.gz FPYSUBWONWXPQP-QJPTWQEYSA-N 0 3 195.306 2.204 10 0 AEAEHN C[C@H]1CO[C@H](C)CN1[C@H]1C=CCCC1 595553343 346860638 /nfs/dbraw/zinc/86/06/38/346860638.db2.gz FPYSUBWONWXPQP-TUAOUCFPSA-N 0 3 195.306 2.204 10 0 AEAEHN C[C@@H]1CN([C@H]2C=CCCC2)[C@H](C)CO1 595553344 346860818 /nfs/dbraw/zinc/86/08/18/346860818.db2.gz FPYSUBWONWXPQP-UTUOFQBUSA-N 0 3 195.306 2.204 10 0 AEAEHN CN(C)CCSC[C@H]1C[C@@H]2C[C@@H]2C1 596019639 346871615 /nfs/dbraw/zinc/87/16/15/346871615.db2.gz BHDQDJUTBWPPJJ-JGPRNRPPSA-N 0 3 199.363 2.327 10 0 AEAEHN CCSCCN1CC(CC2CC2)C1 598677371 346899790 /nfs/dbraw/zinc/89/97/90/346899790.db2.gz GDUJZMJDKPDUSN-UHFFFAOYSA-N 0 3 199.363 2.471 10 0 AEAEHN CCN(Cc1cccc(C)n1)C1CC1 605898279 346973469 /nfs/dbraw/zinc/97/34/69/346973469.db2.gz BRTJQPJVAXTVKT-UHFFFAOYSA-N 0 3 190.290 2.374 10 0 AEAEHN CC(C)(C)C(C)(C)[C@H](F)CN 606304163 346980372 /nfs/dbraw/zinc/98/03/72/346980372.db2.gz QTOJHSSSWNRNHV-SSDOTTSWSA-N 0 3 161.264 2.356 10 0 AEAEHN CC(C)(C)C(C)(C)[C@@H](F)CN 606304164 346980534 /nfs/dbraw/zinc/98/05/34/346980534.db2.gz QTOJHSSSWNRNHV-ZETCQYMHSA-N 0 3 161.264 2.356 10 0 AEAEHN CCOCCCN(C)Cc1ccoc1 607727444 346992786 /nfs/dbraw/zinc/99/27/86/346992786.db2.gz FDFHEUOQLMCHQX-UHFFFAOYSA-N 0 3 197.278 2.138 10 0 AEAEHN CCN(CCSC)Cc1ccoc1 608840304 347015432 /nfs/dbraw/zinc/01/54/32/347015432.db2.gz PECLVVHNWSYHJR-UHFFFAOYSA-N 0 3 199.319 2.465 10 0 AEAEHN COCCCN(C)Cc1ccc(C)o1 613383437 347058085 /nfs/dbraw/zinc/05/80/85/347058085.db2.gz ZVYGUZSEFDQBGM-UHFFFAOYSA-N 0 3 197.278 2.056 10 0 AEAEHN COCCCN(C)Cc1ccsc1 613383601 347058261 /nfs/dbraw/zinc/05/82/61/347058261.db2.gz CIPYBWJRCMCVAF-UHFFFAOYSA-N 0 3 199.319 2.216 10 0 AEAEHN Cc1conc1CNC1CCCCC1 616569660 347097479 /nfs/dbraw/zinc/09/74/79/347097479.db2.gz BRMDJYXFDJVPFH-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN CCC(C)(C)NCc1nocc1C 616570518 347099026 /nfs/dbraw/zinc/09/90/26/347099026.db2.gz GQNOHSTWPPFZNH-UHFFFAOYSA-N 0 3 182.267 2.261 10 0 AEAEHN CCC(CC)NCc1nocc1C 616572616 347100269 /nfs/dbraw/zinc/10/02/69/347100269.db2.gz SXHRBOFWXMPRRL-UHFFFAOYSA-N 0 3 182.267 2.261 10 0 AEAEHN CN1CC[C@H](N(C)C)c2ccccc21 616589519 347105814 /nfs/dbraw/zinc/10/58/14/347105814.db2.gz HYLYPHXGPUXRBG-NSHDSACASA-N 0 3 190.290 2.129 10 0 AEAEHN CN1CC[C@@H](N(C)C)c2ccccc21 616585900 347105948 /nfs/dbraw/zinc/10/59/48/347105948.db2.gz HYLYPHXGPUXRBG-LLVKDONJSA-N 0 3 190.290 2.129 10 0 AEAEHN CN1CCCC[C@H](C(F)(F)F)C1 616602322 347109080 /nfs/dbraw/zinc/10/90/80/347109080.db2.gz LEKBAQMMFLJQAQ-ZETCQYMHSA-N 0 3 181.201 2.281 10 0 AEAEHN CCN1CCCC[C@H](c2cocn2)C1 616602668 347109284 /nfs/dbraw/zinc/10/92/84/347109284.db2.gz NKCRNKJDZWNNLM-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCCC[C@H](c2cnoc2)C1 616602977 347109954 /nfs/dbraw/zinc/10/99/54/347109954.db2.gz QYFMNNPLICYETK-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCCC[C@H](c2ccon2)C1 616603053 347110270 /nfs/dbraw/zinc/11/02/70/347110270.db2.gz RUERYRNMDWUGJE-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CC(C)N1CCC[C@@H]1c1cncnc1 616606310 347110931 /nfs/dbraw/zinc/11/09/31/347110931.db2.gz BEDHRVOZBYUFFB-LLVKDONJSA-N 0 3 191.278 2.022 10 0 AEAEHN CC(C)N1CCC[C@H]1c1cnco1 616606218 347111026 /nfs/dbraw/zinc/11/10/26/347111026.db2.gz CHPDUZKEFMQROV-VIFPVBQESA-N 0 3 180.251 2.220 10 0 AEAEHN CC(C)(C)N1CCC[C@@H]1c1cnno1 616606488 347111089 /nfs/dbraw/zinc/11/10/89/347111089.db2.gz BTRVVIZUGVFPOM-MRVPVSSYSA-N 0 3 195.266 2.005 10 0 AEAEHN CC(C)(C)N1CCC[C@@H]1c1c[nH]cn1 616606541 347111190 /nfs/dbraw/zinc/11/11/90/347111190.db2.gz CNNBBWYQJSZBLE-SNVBAGLBSA-N 0 3 193.294 2.345 10 0 AEAEHN CC(C)N1CCC[C@@H]1c1cnco1 616606338 347111332 /nfs/dbraw/zinc/11/13/32/347111332.db2.gz CHPDUZKEFMQROV-SECBINFHSA-N 0 3 180.251 2.220 10 0 AEAEHN CC(C)N1CCC[C@@H]1c1ccncn1 616606463 347111399 /nfs/dbraw/zinc/11/13/99/347111399.db2.gz IJKCIQYKLJSCNS-LLVKDONJSA-N 0 3 191.278 2.022 10 0 AEAEHN CC(C)N1CCC[C@@H]1c1ccnnc1 616606912 347111921 /nfs/dbraw/zinc/11/19/21/347111921.db2.gz KNPRGJHQWBOQRG-LLVKDONJSA-N 0 3 191.278 2.022 10 0 AEAEHN CC(C)(C)N1CCC[C@H]1c1c[nH]cn1 616607044 347112003 /nfs/dbraw/zinc/11/20/03/347112003.db2.gz CNNBBWYQJSZBLE-JTQLQIEISA-N 0 3 193.294 2.345 10 0 AEAEHN CC(C)(C)N1CCC[C@H]1c1cnno1 616607018 347112047 /nfs/dbraw/zinc/11/20/47/347112047.db2.gz BTRVVIZUGVFPOM-QMMMGPOBSA-N 0 3 195.266 2.005 10 0 AEAEHN CC(C)N1CCC[C@@H]1c1ccno1 616606850 347112191 /nfs/dbraw/zinc/11/21/91/347112191.db2.gz JKNLHEFWIQMMCL-SECBINFHSA-N 0 3 180.251 2.220 10 0 AEAEHN CC(C)N1CCC[C@H]1c1cncnc1 616606990 347112210 /nfs/dbraw/zinc/11/22/10/347112210.db2.gz BEDHRVOZBYUFFB-NSHDSACASA-N 0 3 191.278 2.022 10 0 AEAEHN CC(C)(C)N1CCC[C@H]1c1ncc[nH]1 616607727 347112879 /nfs/dbraw/zinc/11/28/79/347112879.db2.gz LXOQCQCNSHPMSN-VIFPVBQESA-N 0 3 193.294 2.345 10 0 AEAEHN CC(C)(C)N1CCC[C@H]1c1cc[nH]n1 616607691 347112940 /nfs/dbraw/zinc/11/29/40/347112940.db2.gz LAHLJRUQUPJIPF-JTQLQIEISA-N 0 3 193.294 2.345 10 0 AEAEHN CC(C)N1CCC[C@H]1c1ccncn1 616607473 347112997 /nfs/dbraw/zinc/11/29/97/347112997.db2.gz IJKCIQYKLJSCNS-NSHDSACASA-N 0 3 191.278 2.022 10 0 AEAEHN CC(C)N1CCC[C@H]1c1ccno1 616607503 347113007 /nfs/dbraw/zinc/11/30/07/347113007.db2.gz JKNLHEFWIQMMCL-VIFPVBQESA-N 0 3 180.251 2.220 10 0 AEAEHN CC(C)(C)N1CCC[C@@H]1c1cc[nH]n1 616607692 347113041 /nfs/dbraw/zinc/11/30/41/347113041.db2.gz LAHLJRUQUPJIPF-SNVBAGLBSA-N 0 3 193.294 2.345 10 0 AEAEHN CC(C)N1CCC[C@@H]1c1cnoc1 616607306 347113087 /nfs/dbraw/zinc/11/30/87/347113087.db2.gz RQBFBZHFCYWUOX-SNVBAGLBSA-N 0 3 180.251 2.220 10 0 AEAEHN CC(C)N1CCC[C@H]1c1ccnnc1 616607592 347113218 /nfs/dbraw/zinc/11/32/18/347113218.db2.gz KNPRGJHQWBOQRG-NSHDSACASA-N 0 3 191.278 2.022 10 0 AEAEHN CC(C)(C)N1CCC[C@@H]1c1ncc[nH]1 616607728 347113295 /nfs/dbraw/zinc/11/32/95/347113295.db2.gz LXOQCQCNSHPMSN-SECBINFHSA-N 0 3 193.294 2.345 10 0 AEAEHN CC(C)N1CCC[C@H]1c1cnoc1 616608306 347113848 /nfs/dbraw/zinc/11/38/48/347113848.db2.gz RQBFBZHFCYWUOX-JTQLQIEISA-N 0 3 180.251 2.220 10 0 AEAEHN CN1CCC[C@@H](OC(F)(F)F)CC1 616609646 347114747 /nfs/dbraw/zinc/11/47/47/347114747.db2.gz FLBRFCRJROBKOU-SSDOTTSWSA-N 0 3 197.200 2.007 10 0 AEAEHN CCN1CCC[C@@H](c2cnoc2)CC1 616610525 347115547 /nfs/dbraw/zinc/11/55/47/347115547.db2.gz LLVVNWJQGZIYOK-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCC[C@@H](c2cocn2)CC1 616611513 347116276 /nfs/dbraw/zinc/11/62/76/347116276.db2.gz RUNTZBXIGWXBGL-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCC[C@@H](c2cnco2)CC1 616611529 347116549 /nfs/dbraw/zinc/11/65/49/347116549.db2.gz RXKBMPZUVRTNRG-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CC(C)N1CC[C@@H](OC(F)(F)F)C1 616612378 347116912 /nfs/dbraw/zinc/11/69/12/347116912.db2.gz CJMNXPAODQUVCF-SSDOTTSWSA-N 0 3 197.200 2.006 10 0 AEAEHN CC(C)N1CC[C@H](OC(F)(F)F)C1 616612947 347117209 /nfs/dbraw/zinc/11/72/09/347117209.db2.gz CJMNXPAODQUVCF-ZETCQYMHSA-N 0 3 197.200 2.006 10 0 AEAEHN CCN1CCCC[C@@H]1c1cnoc1 616613761 347119319 /nfs/dbraw/zinc/11/93/19/347119319.db2.gz ACBRYFBVKFCISB-SNVBAGLBSA-N 0 3 180.251 2.222 10 0 AEAEHN CO[C@H]1CCCCN1C(C)(C)C 616614072 347119507 /nfs/dbraw/zinc/11/95/07/347119507.db2.gz HWCYRYSRWGPSBP-VIFPVBQESA-N 0 3 171.284 2.243 10 0 AEAEHN CC(C)N1CCCC[C@@H]1c1cn[nH]c1 616613964 347119532 /nfs/dbraw/zinc/11/95/32/347119532.db2.gz FZCFSWSXVBIYGK-LLVKDONJSA-N 0 3 193.294 2.345 10 0 AEAEHN CC(C)N1CCCC[C@@H]1c1cnno1 616613897 347119579 /nfs/dbraw/zinc/11/95/79/347119579.db2.gz DHHZUJGZIVKNAK-SECBINFHSA-N 0 3 195.266 2.005 10 0 AEAEHN CCN1CCCC[C@@H]1c1ccnnc1 616613976 347119805 /nfs/dbraw/zinc/11/98/05/347119805.db2.gz GHJQDTZREPYEGX-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCC[C@@H]1c1cnco1 616614269 347120643 /nfs/dbraw/zinc/12/06/43/347120643.db2.gz NUEMGFXIHDNPGD-SECBINFHSA-N 0 3 180.251 2.222 10 0 AEAEHN CC(C)N1CCCC[C@H]1c1cn[nH]c1 616615199 347121647 /nfs/dbraw/zinc/12/16/47/347121647.db2.gz FZCFSWSXVBIYGK-NSHDSACASA-N 0 3 193.294 2.345 10 0 AEAEHN CCN1CCCC[C@H]1c1ccnnc1 616615209 347121657 /nfs/dbraw/zinc/12/16/57/347121657.db2.gz GHJQDTZREPYEGX-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCC[C@H]1c1cnoc1 616615032 347121681 /nfs/dbraw/zinc/12/16/81/347121681.db2.gz ACBRYFBVKFCISB-JTQLQIEISA-N 0 3 180.251 2.222 10 0 AEAEHN CCN1CCCC[C@@H]1c1ccno1 616614916 347121867 /nfs/dbraw/zinc/12/18/67/347121867.db2.gz ZKGONXDDTPXIPX-SECBINFHSA-N 0 3 180.251 2.222 10 0 AEAEHN CCN1CCCC[C@@H]1c1cncnc1 616614918 347121878 /nfs/dbraw/zinc/12/18/78/347121878.db2.gz ZODJQUXEMROLJY-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCC[C@@H]1c1ccncn1 616614919 347122175 /nfs/dbraw/zinc/12/21/75/347122175.db2.gz ZPRYOLHECBQFHZ-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CC(C)N1CCCC[C@@H]1c1c[nH]cn1 616614894 347122199 /nfs/dbraw/zinc/12/21/99/347122199.db2.gz XOLHVSRQJXWXKW-LLVKDONJSA-N 0 3 193.294 2.345 10 0 AEAEHN CCN1CCCC[C@H]1c1cnco1 616615495 347122284 /nfs/dbraw/zinc/12/22/84/347122284.db2.gz NUEMGFXIHDNPGD-VIFPVBQESA-N 0 3 180.251 2.222 10 0 AEAEHN CO[C@@H]1CCCCN1C(C)(C)C 616615371 347122317 /nfs/dbraw/zinc/12/23/17/347122317.db2.gz HWCYRYSRWGPSBP-SECBINFHSA-N 0 3 171.284 2.243 10 0 AEAEHN CCN1CCCC[C@H]1c1ccno1 616616082 347122828 /nfs/dbraw/zinc/12/28/28/347122828.db2.gz ZKGONXDDTPXIPX-VIFPVBQESA-N 0 3 180.251 2.222 10 0 AEAEHN CC(C)N1CCCC[C@H]1c1c[nH]cn1 616615904 347123012 /nfs/dbraw/zinc/12/30/12/347123012.db2.gz XOLHVSRQJXWXKW-NSHDSACASA-N 0 3 193.294 2.345 10 0 AEAEHN CCN1CCCC[C@H]1c1ccncn1 616616085 347123122 /nfs/dbraw/zinc/12/31/22/347123122.db2.gz ZPRYOLHECBQFHZ-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCC[C@H]1c1cncnc1 616616083 347123156 /nfs/dbraw/zinc/12/31/56/347123156.db2.gz ZODJQUXEMROLJY-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN CC(C)N1CCC[C@@H](c2cocn2)C1 616617155 347123911 /nfs/dbraw/zinc/12/39/11/347123911.db2.gz KCIHJXZAELXFLV-SNVBAGLBSA-N 0 3 194.278 2.262 10 0 AEAEHN CC(C)N1CCC[C@H](c2cocn2)C1 616617786 347123919 /nfs/dbraw/zinc/12/39/19/347123919.db2.gz KCIHJXZAELXFLV-JTQLQIEISA-N 0 3 194.278 2.262 10 0 AEAEHN CC(C)N1CCC[C@H](c2ccon2)C1 616617879 347124275 /nfs/dbraw/zinc/12/42/75/347124275.db2.gz MMTVIMWVFFNWFM-JTQLQIEISA-N 0 3 194.278 2.262 10 0 AEAEHN CCN1CCC[C@@H](c2ccccn2)C1 616617360 347124410 /nfs/dbraw/zinc/12/44/10/347124410.db2.gz TUNAEVQYYIXBBF-LLVKDONJSA-N 0 3 190.290 2.281 10 0 AEAEHN CC(C)N1CCC[C@@H](c2cnoc2)C1 616617394 347124558 /nfs/dbraw/zinc/12/45/58/347124558.db2.gz VNBMSEPJEYTWGO-SNVBAGLBSA-N 0 3 194.278 2.262 10 0 AEAEHN CC(C)N1CCC[C@@H](c2ccon2)C1 616617189 347124568 /nfs/dbraw/zinc/12/45/68/347124568.db2.gz MMTVIMWVFFNWFM-SNVBAGLBSA-N 0 3 194.278 2.262 10 0 AEAEHN CCN1CCC[C@H](c2ccccn2)C1 616617546 347124607 /nfs/dbraw/zinc/12/46/07/347124607.db2.gz TUNAEVQYYIXBBF-NSHDSACASA-N 0 3 190.290 2.281 10 0 AEAEHN CC(C)N1CCC(c2cocn2)CC1 616619475 347125056 /nfs/dbraw/zinc/12/50/56/347125056.db2.gz PMUVBYAUUYLNAO-UHFFFAOYSA-N 0 3 194.278 2.262 10 0 AEAEHN CC(C)N1CCC[C@H](c2cnoc2)C1 616618455 347125125 /nfs/dbraw/zinc/12/51/25/347125125.db2.gz VNBMSEPJEYTWGO-JTQLQIEISA-N 0 3 194.278 2.262 10 0 AEAEHN FC(F)(F)O[C@@H]1CCCCCN1 616619395 347125181 /nfs/dbraw/zinc/12/51/81/347125181.db2.gz HEZWYAWAPUCBRG-ZCFIWIBFSA-N 0 3 183.173 2.013 10 0 AEAEHN CC(C)N1CCC(c2cnco2)CC1 616619036 347125214 /nfs/dbraw/zinc/12/52/14/347125214.db2.gz GVYBVCWCPRVSTM-UHFFFAOYSA-N 0 3 194.278 2.262 10 0 AEAEHN CC(C)N1CCC(c2ccno2)CC1 616619452 347125437 /nfs/dbraw/zinc/12/54/37/347125437.db2.gz OMJDBAGVXIPJQP-UHFFFAOYSA-N 0 3 194.278 2.262 10 0 AEAEHN CC(C)N1CCC(c2cnoc2)CC1 616619790 347126042 /nfs/dbraw/zinc/12/60/42/347126042.db2.gz YQIOWYGEPOIDRZ-UHFFFAOYSA-N 0 3 194.278 2.262 10 0 AEAEHN CN1CCCCC[C@H]1c1ccnnc1 616620125 347126056 /nfs/dbraw/zinc/12/60/56/347126056.db2.gz CPZMQRAZOZCFPE-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCCC[C@H]1c1c[nH]cn1 616620237 347126155 /nfs/dbraw/zinc/12/61/55/347126155.db2.gz DKYMGZRHKLZDBP-NSHDSACASA-N 0 3 193.294 2.347 10 0 AEAEHN CCN1CCCCC[C@H]1c1cnno1 616621850 347126981 /nfs/dbraw/zinc/12/69/81/347126981.db2.gz PMVOBHCZFLQHHI-VIFPVBQESA-N 0 3 195.266 2.007 10 0 AEAEHN CN1CCCCC[C@H]1c1cnoc1 616621745 347127256 /nfs/dbraw/zinc/12/72/56/347127256.db2.gz ORPUSJJSTRQYPA-JTQLQIEISA-N 0 3 180.251 2.222 10 0 AEAEHN CC(=O)[C@@H]1CCCCCN1C(C)C 616620980 347127522 /nfs/dbraw/zinc/12/75/22/347127522.db2.gz JFMABGPWQNZJKQ-NSHDSACASA-N 0 3 183.295 2.228 10 0 AEAEHN CN1CCCCC[C@H]1c1cccnn1 616621258 347127661 /nfs/dbraw/zinc/12/76/61/347127661.db2.gz MBUNISMUATTWON-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN CN1CCCCC[C@H]1c1ccncn1 616622201 347127967 /nfs/dbraw/zinc/12/79/67/347127967.db2.gz WIHXEGKMVLKYPL-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCCC[C@@H]1c1c[nH]cn1 616622537 347127979 /nfs/dbraw/zinc/12/79/79/347127979.db2.gz DKYMGZRHKLZDBP-LLVKDONJSA-N 0 3 193.294 2.347 10 0 AEAEHN CN1CCCCC[C@@H]1c1cnoc1 616623594 347128079 /nfs/dbraw/zinc/12/80/79/347128079.db2.gz ORPUSJJSTRQYPA-SNVBAGLBSA-N 0 3 180.251 2.222 10 0 AEAEHN CN1CCCCC[C@H]1c1cnco1 616622260 347128118 /nfs/dbraw/zinc/12/81/18/347128118.db2.gz XBIOKHCVUHPGKK-VIFPVBQESA-N 0 3 180.251 2.222 10 0 AEAEHN CN1CCCCC[C@@H]1c1cccnn1 616623144 347128155 /nfs/dbraw/zinc/12/81/55/347128155.db2.gz MBUNISMUATTWON-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCCC[C@H]1c1cc[nH]n1 616622455 347128176 /nfs/dbraw/zinc/12/81/76/347128176.db2.gz YSNVQTFLLPRHNY-NSHDSACASA-N 0 3 193.294 2.347 10 0 AEAEHN CN1CCCCC[C@H]1c1ccno1 616622068 347128202 /nfs/dbraw/zinc/12/82/02/347128202.db2.gz SMZKRHFQMPMORP-VIFPVBQESA-N 0 3 180.251 2.222 10 0 AEAEHN CC(=O)[C@H]1CCCCCN1C(C)C 616622862 347128253 /nfs/dbraw/zinc/12/82/53/347128253.db2.gz JFMABGPWQNZJKQ-LLVKDONJSA-N 0 3 183.295 2.228 10 0 AEAEHN CN1CCCCC[C@H]1c1cncnc1 616622125 347128331 /nfs/dbraw/zinc/12/83/31/347128331.db2.gz UTPJAHFAKJTPRI-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN FC(F)(F)O[C@H]1CCCCCN1 616621973 347128389 /nfs/dbraw/zinc/12/83/89/347128389.db2.gz HEZWYAWAPUCBRG-LURJTMIESA-N 0 3 183.173 2.013 10 0 AEAEHN CCN1CCCCC[C@@H]1c1cnno1 616623636 347128408 /nfs/dbraw/zinc/12/84/08/347128408.db2.gz PMVOBHCZFLQHHI-SECBINFHSA-N 0 3 195.266 2.007 10 0 AEAEHN CN1CCCCC[C@@H]1c1ccnnc1 616622497 347128540 /nfs/dbraw/zinc/12/85/40/347128540.db2.gz CPZMQRAZOZCFPE-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CO[C@@H]1CCCCCN1C(C)C 616622116 347128634 /nfs/dbraw/zinc/12/86/34/347128634.db2.gz UICQABVWFHKBHQ-SNVBAGLBSA-N 0 3 171.284 2.243 10 0 AEAEHN CN1CCCCC[C@@H]1c1cncnc1 616624019 347128952 /nfs/dbraw/zinc/12/89/52/347128952.db2.gz UTPJAHFAKJTPRI-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CN1CCCCC[C@@H]1c1ccno1 616623742 347129126 /nfs/dbraw/zinc/12/91/26/347129126.db2.gz SMZKRHFQMPMORP-SECBINFHSA-N 0 3 180.251 2.222 10 0 AEAEHN CN1CCCCC[C@@H]1c1ccncn1 616624071 347129189 /nfs/dbraw/zinc/12/91/89/347129189.db2.gz WIHXEGKMVLKYPL-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CO[C@H]1CCCCCN1C(C)C 616624010 347129249 /nfs/dbraw/zinc/12/92/49/347129249.db2.gz UICQABVWFHKBHQ-JTQLQIEISA-N 0 3 171.284 2.243 10 0 AEAEHN CN1CCCCC[C@@H]1c1cnco1 616624118 347129358 /nfs/dbraw/zinc/12/93/58/347129358.db2.gz XBIOKHCVUHPGKK-SECBINFHSA-N 0 3 180.251 2.222 10 0 AEAEHN CCN1CCCCC[C@@H]1c1cc[nH]n1 616624342 347129449 /nfs/dbraw/zinc/12/94/49/347129449.db2.gz YSNVQTFLLPRHNY-LLVKDONJSA-N 0 3 193.294 2.347 10 0 AEAEHN CN1CCC[C@H](OC(F)(F)F)CC1 616626926 347129896 /nfs/dbraw/zinc/12/98/96/347129896.db2.gz FLBRFCRJROBKOU-ZETCQYMHSA-N 0 3 197.200 2.007 10 0 AEAEHN CCN1CCC[C@H](c2ncco2)CC1 616627648 347130012 /nfs/dbraw/zinc/13/00/12/347130012.db2.gz JYXBLTSSXVTIIW-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCC[C@H](c2cnoc2)CC1 616627730 347130241 /nfs/dbraw/zinc/13/02/41/347130241.db2.gz LLVVNWJQGZIYOK-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCC[C@H](c2ccno2)CC1 616626771 347130311 /nfs/dbraw/zinc/13/03/11/347130311.db2.gz BCKMXXWVZGRGSZ-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCC[C@H](c2cocn2)CC1 616628983 347130787 /nfs/dbraw/zinc/13/07/87/347130787.db2.gz RUNTZBXIGWXBGL-JTQLQIEISA-N 0 3 194.278 2.264 10 0 AEAEHN CN1CCC[C@H](C(F)(F)F)CC1 616628764 347130852 /nfs/dbraw/zinc/13/08/52/347130852.db2.gz OMFWZZATQRIJBT-ZETCQYMHSA-N 0 3 181.201 2.281 10 0 AEAEHN CN1CCCC[C@H](OC(F)(F)F)C1 616629111 347131048 /nfs/dbraw/zinc/13/10/48/347131048.db2.gz OTIUFMYZKFLVSO-ZETCQYMHSA-N 0 3 197.200 2.007 10 0 AEAEHN CC(C)[C@H]1CN(C(C)(C)C)CCO1 616644649 347144652 /nfs/dbraw/zinc/14/46/52/347144652.db2.gz GSKGCVPWXUBTCE-SNVBAGLBSA-N 0 3 185.311 2.142 10 0 AEAEHN CC(C)[C@@H]1CN(C(C)(C)C)CCO1 616645664 347145669 /nfs/dbraw/zinc/14/56/69/347145669.db2.gz GSKGCVPWXUBTCE-JTQLQIEISA-N 0 3 185.311 2.142 10 0 AEAEHN CCN1CCCC[C@@H](c2ccon2)C1 616654905 347155388 /nfs/dbraw/zinc/15/53/88/347155388.db2.gz RUERYRNMDWUGJE-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CCN1CCCC[C@@H](c2cocn2)C1 616654820 347155537 /nfs/dbraw/zinc/15/55/37/347155537.db2.gz NKCRNKJDZWNNLM-SNVBAGLBSA-N 0 3 194.278 2.264 10 0 AEAEHN CN1CCCC[C@@H](OC(F)(F)F)C1 616654843 347155559 /nfs/dbraw/zinc/15/55/59/347155559.db2.gz OTIUFMYZKFLVSO-SSDOTTSWSA-N 0 3 197.200 2.007 10 0 AEAEHN CCN1CCO[C@@H](C(C)(C)C)CC1 616666422 347165826 /nfs/dbraw/zinc/16/58/26/347165826.db2.gz ROHSCKRFPQANQV-SNVBAGLBSA-N 0 3 185.311 2.143 10 0 AEAEHN COCCCN(C)Cc1ccoc1C 618986924 347196235 /nfs/dbraw/zinc/19/62/35/347196235.db2.gz AQUHYIMRSBSUNU-UHFFFAOYSA-N 0 3 197.278 2.056 10 0 AEAEHN Cc1cc(CN2C[C@@H](C)[C@H]2C)ccn1 621298209 347225637 /nfs/dbraw/zinc/22/56/37/347225637.db2.gz MZIZEHTURWFXIL-MWLCHTKSSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cc(CN2C[C@H](C)[C@@H]2C)ccn1 621298210 347225912 /nfs/dbraw/zinc/22/59/12/347225912.db2.gz MZIZEHTURWFXIL-ONGXEEELSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cc(CN2C[C@@H](C)[C@@H]2C)ccn1 621298208 347225930 /nfs/dbraw/zinc/22/59/30/347225930.db2.gz MZIZEHTURWFXIL-KOLCDFICSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cc(CN2C[C@H](C)[C@H]2C)ccn1 621298207 347225976 /nfs/dbraw/zinc/22/59/76/347225976.db2.gz MZIZEHTURWFXIL-GXSJLCMTSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1nocc1CNCC1CC(C)C1 621384688 347228486 /nfs/dbraw/zinc/22/84/86/347228486.db2.gz PSCBZLNLCGAQRI-UHFFFAOYSA-N 0 3 194.278 2.119 10 0 AEAEHN CC/C=C/CNCc1ccnc(C)c1 623537668 347257736 /nfs/dbraw/zinc/25/77/36/347257736.db2.gz BHFYVYUGWKKFKV-SNAWJCMRSA-N 0 3 190.290 2.446 10 0 AEAEHN CC/C=C\CNCc1ccnc(C)c1 623537667 347257747 /nfs/dbraw/zinc/25/77/47/347257747.db2.gz BHFYVYUGWKKFKV-PLNGDYQASA-N 0 3 190.290 2.446 10 0 AEAEHN Cc1cc(CN[C@@H]2CC23CC3)ccn1 623554984 347258675 /nfs/dbraw/zinc/25/86/75/347258675.db2.gz XQUPCUCHJNDTDP-LLVKDONJSA-N 0 3 188.274 2.032 10 0 AEAEHN Cc1cc(CN[C@H]2CC23CC3)ccn1 623554985 347258842 /nfs/dbraw/zinc/25/88/42/347258842.db2.gz XQUPCUCHJNDTDP-NSHDSACASA-N 0 3 188.274 2.032 10 0 AEAEHN C/C=C\CNCc1sccc1OC 623739349 347261801 /nfs/dbraw/zinc/26/18/01/347261801.db2.gz SQIKYRXBPHHNQU-ARJAWSKDSA-N 0 3 197.303 2.422 10 0 AEAEHN C/C=C/CNCc1sccc1OC 623739350 347262009 /nfs/dbraw/zinc/26/20/09/347262009.db2.gz SQIKYRXBPHHNQU-ONEGZZNKSA-N 0 3 197.303 2.422 10 0 AEAEHN C/C=C\CN[C@H](CC)c1cnn(C)c1 624197456 347271849 /nfs/dbraw/zinc/27/18/49/347271849.db2.gz MWFZEXWHHLNBNW-VLWUPBBWSA-N 0 3 193.294 2.037 10 0 AEAEHN C/C=C\CN[C@@H](CC)c1cnn(C)c1 624197455 347272075 /nfs/dbraw/zinc/27/20/75/347272075.db2.gz MWFZEXWHHLNBNW-QZPNVGJNSA-N 0 3 193.294 2.037 10 0 AEAEHN C/C=C/CN[C@H](CC)c1cnn(C)c1 624197453 347272217 /nfs/dbraw/zinc/27/22/17/347272217.db2.gz MWFZEXWHHLNBNW-DUMNWFOQSA-N 0 3 193.294 2.037 10 0 AEAEHN C/C=C/CN[C@@H](CC)c1cnn(C)c1 624197454 347272267 /nfs/dbraw/zinc/27/22/67/347272267.db2.gz MWFZEXWHHLNBNW-MALLOTDXSA-N 0 3 193.294 2.037 10 0 AEAEHN C/C=C/CN[C@H](C)c1cncnc1C 624199021 347272837 /nfs/dbraw/zinc/27/28/37/347272837.db2.gz DREBLWUEMQLLSV-XNPJLODASA-N 0 3 191.278 2.012 10 0 AEAEHN C/C=C\CN[C@@H](C)c1cncnc1C 624199020 347272849 /nfs/dbraw/zinc/27/28/49/347272849.db2.gz DREBLWUEMQLLSV-WBSSQXGSSA-N 0 3 191.278 2.012 10 0 AEAEHN C/C=C\CN[C@H](C)c1cncnc1C 624199022 347272868 /nfs/dbraw/zinc/27/28/68/347272868.db2.gz DREBLWUEMQLLSV-XRVBUDJMSA-N 0 3 191.278 2.012 10 0 AEAEHN C/C=C/CN[C@@H](C)c1cncnc1C 624199019 347272981 /nfs/dbraw/zinc/27/29/81/347272981.db2.gz DREBLWUEMQLLSV-MOVJSRMASA-N 0 3 191.278 2.012 10 0 AEAEHN CCN1CCOc2ccccc2[C@@H]1C 624492062 347279070 /nfs/dbraw/zinc/27/90/70/347279070.db2.gz XYDYWYSWCUSBCM-JTQLQIEISA-N 0 3 191.274 2.462 10 0 AEAEHN CCN1CCOc2ccccc2[C@H]1C 624492063 347279298 /nfs/dbraw/zinc/27/92/98/347279298.db2.gz XYDYWYSWCUSBCM-SNVBAGLBSA-N 0 3 191.274 2.462 10 0 AEAEHN CC1(C)CC(CN2CC[C@H](F)C2)C1 625457826 347287532 /nfs/dbraw/zinc/28/75/32/347287532.db2.gz QCIFLCLSRSRHIW-JTQLQIEISA-N 0 3 185.286 2.466 10 0 AEAEHN CC1(C)CC(CN2CC[C@@H](F)C2)C1 625457832 347287941 /nfs/dbraw/zinc/28/79/41/347287941.db2.gz QCIFLCLSRSRHIW-SNVBAGLBSA-N 0 3 185.286 2.466 10 0 AEAEHN C1CC(OCCN(C2CC2)C2CC2)C1 625840954 347292755 /nfs/dbraw/zinc/29/27/55/347292755.db2.gz GMFGIBPXBHHHQS-UHFFFAOYSA-N 0 3 195.306 2.182 10 0 AEAEHN c1cncc(CN(C2CC2)C2CC2)c1 625837110 347292854 /nfs/dbraw/zinc/29/28/54/347292854.db2.gz FJSLQTKOZFLNIP-UHFFFAOYSA-N 0 3 188.274 2.208 10 0 AEAEHN CCCCCN1CCO[C@@H]2CCC[C@@H]21 625850630 347293807 /nfs/dbraw/zinc/29/38/07/347293807.db2.gz CGQWEVPNFZOQKN-NWDGAFQWSA-N 0 3 197.322 2.430 10 0 AEAEHN CCCN(CC)Cc1cnc(C)o1 628117492 347306095 /nfs/dbraw/zinc/30/60/95/347306095.db2.gz LBFNPPHNNAADDY-UHFFFAOYSA-N 0 3 182.267 2.215 10 0 AEAEHN Cc1ncc(CN(C)C2CCCC2)o1 628125029 347306671 /nfs/dbraw/zinc/30/66/71/347306671.db2.gz HHIBJJMEZYFQHS-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ncc(CN2CCC[C@@H](C)C2)o1 628118824 347306782 /nfs/dbraw/zinc/30/67/82/347306782.db2.gz MCYOSAXLCFKMBG-SECBINFHSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1ncc(CN2CCC(C)CC2)o1 628119266 347306813 /nfs/dbraw/zinc/30/68/13/347306813.db2.gz JXSLMSDQMHBMSO-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1ncc(CN(C)[C@H](C)C(C)C)o1 628132625 347306928 /nfs/dbraw/zinc/30/69/28/347306928.db2.gz KIXADVHEHKETAM-SECBINFHSA-N 0 3 196.294 2.459 10 0 AEAEHN CCCCN(C)Cc1cnc(C)o1 628119008 347306968 /nfs/dbraw/zinc/30/69/68/347306968.db2.gz WDEFOKOTYTZDRS-UHFFFAOYSA-N 0 3 182.267 2.215 10 0 AEAEHN Cc1ncc(CN2CCC[C@H](C)C2)o1 628118825 347307026 /nfs/dbraw/zinc/30/70/26/347307026.db2.gz MCYOSAXLCFKMBG-VIFPVBQESA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1ncc(CN2C3CCC2CC3)o1 628128000 347307040 /nfs/dbraw/zinc/30/70/40/347307040.db2.gz KPVKLQDUXKPLRT-UHFFFAOYSA-N 0 3 192.262 2.110 10 0 AEAEHN Cc1ncc(CN(C)[C@@H](C)C(C)C)o1 628132626 347307179 /nfs/dbraw/zinc/30/71/79/347307179.db2.gz KIXADVHEHKETAM-VIFPVBQESA-N 0 3 196.294 2.459 10 0 AEAEHN Cc1ncc(CN2CCCC[C@@H]2C)o1 628119241 347307202 /nfs/dbraw/zinc/30/72/02/347307202.db2.gz IPOOKFMAJZTEJT-VIFPVBQESA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ncc(CN2CCCC[C@H]2C)o1 628119240 347307288 /nfs/dbraw/zinc/30/72/88/347307288.db2.gz IPOOKFMAJZTEJT-SECBINFHSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ncc(CN(C)CC(C)C)o1 628129501 347307321 /nfs/dbraw/zinc/30/73/21/347307321.db2.gz FELKYYKDJSVTGP-UHFFFAOYSA-N 0 3 182.267 2.071 10 0 AEAEHN Cc1ncc(CN2CCC(C)(C)C2)o1 628172494 347309432 /nfs/dbraw/zinc/30/94/32/347309432.db2.gz KDTGKCYSASAQQX-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN CC[C@H](C)CN(C)Cc1cnc(C)o1 628144027 347307970 /nfs/dbraw/zinc/30/79/70/347307970.db2.gz LDLKCTQHVWLNEU-VIFPVBQESA-N 0 3 196.294 2.461 10 0 AEAEHN CC[C@@H](C)CN(C)Cc1cnc(C)o1 628144026 347307710 /nfs/dbraw/zinc/30/77/10/347307710.db2.gz LDLKCTQHVWLNEU-SECBINFHSA-N 0 3 196.294 2.461 10 0 AEAEHN CC[C@H](C)N(C)Cc1cnc(C)o1 628135709 347307833 /nfs/dbraw/zinc/30/78/33/347307833.db2.gz FVIAOZITDLRQOO-QMMMGPOBSA-N 0 3 182.267 2.213 10 0 AEAEHN Cc1ncc(CN(C(C)C)C2CC2)o1 628140064 347307940 /nfs/dbraw/zinc/30/79/40/347307940.db2.gz ZGKLIYWIDYNPHT-UHFFFAOYSA-N 0 3 194.278 2.356 10 0 AEAEHN Cc1ncc(CN2CCCC2(C)C)o1 628159949 347307990 /nfs/dbraw/zinc/30/79/90/347307990.db2.gz BMDWSKXVEUGIPH-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN CC[C@@H]1CCCN1Cc1cnc(C)o1 628153037 347308041 /nfs/dbraw/zinc/30/80/41/347308041.db2.gz YBSIQGDDXMPAKN-SNVBAGLBSA-N 0 3 194.278 2.357 10 0 AEAEHN CCN(Cc1cnc(C)o1)CC(C)C 628135273 347308092 /nfs/dbraw/zinc/30/80/92/347308092.db2.gz QXTJJXMFQDVVSW-UHFFFAOYSA-N 0 3 196.294 2.461 10 0 AEAEHN Cc1ncc(CN(C)[C@H](C)C2CC2)o1 628137776 347308134 /nfs/dbraw/zinc/30/81/34/347308134.db2.gz RATYRXIRPHQSDF-MRVPVSSYSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN(C)CC(C)(C)C)o1 628150549 347308176 /nfs/dbraw/zinc/30/81/76/347308176.db2.gz XGLHSZPAIOMHHY-UHFFFAOYSA-N 0 3 196.294 2.461 10 0 AEAEHN Cc1ncc(CN(C)[C@@H](C)C2CC2)o1 628137777 347308200 /nfs/dbraw/zinc/30/82/00/347308200.db2.gz RATYRXIRPHQSDF-QMMMGPOBSA-N 0 3 194.278 2.213 10 0 AEAEHN CC[C@@H](C)N(C)Cc1cnc(C)o1 628135708 347308209 /nfs/dbraw/zinc/30/82/09/347308209.db2.gz FVIAOZITDLRQOO-MRVPVSSYSA-N 0 3 182.267 2.213 10 0 AEAEHN CCCN(Cc1cnc(C)o1)C1CC1 628133638 347308332 /nfs/dbraw/zinc/30/83/32/347308332.db2.gz LDRJPNRMWVAWKB-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ncc(CN(C)CCC(C)C)o1 628132908 347308420 /nfs/dbraw/zinc/30/84/20/347308420.db2.gz QMKQVQHLNODEBO-UHFFFAOYSA-N 0 3 196.294 2.461 10 0 AEAEHN CC[C@@H]1CCN(Cc2cnc(C)o2)C1 628190001 347308794 /nfs/dbraw/zinc/30/87/94/347308794.db2.gz SROLPJSLJYEADK-SNVBAGLBSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1ncc(CN2C[C@@H](C)C[C@@H]2C)o1 628183346 347308882 /nfs/dbraw/zinc/30/88/82/347308882.db2.gz YGRGUQNGKYQYLM-IUCAKERBSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN2C[C@@H](C)C[C@H]2C)o1 628183345 347308906 /nfs/dbraw/zinc/30/89/06/347308906.db2.gz YGRGUQNGKYQYLM-DTWKUNHWSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN2C[C@@H](C)[C@@H](C)C2)o1 628178878 347308934 /nfs/dbraw/zinc/30/89/34/347308934.db2.gz GXMJJAZTOHPHQS-DTORHVGOSA-N 0 3 194.278 2.071 10 0 AEAEHN Cc1ncc(CN2[C@@H](C)CC[C@@H]2C)o1 628190610 347308957 /nfs/dbraw/zinc/30/89/57/347308957.db2.gz KURBRFFNNXZZMA-IUCAKERBSA-N 0 3 194.278 2.356 10 0 AEAEHN Cc1ncc(CN2CC[C@H](C)[C@@H]2C)o1 628189798 347308967 /nfs/dbraw/zinc/30/89/67/347308967.db2.gz NCTDOHTXJZUJNS-IUCAKERBSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN2C[C@H](C)[C@@H](C)C2)o1 628178879 347308980 /nfs/dbraw/zinc/30/89/80/347308980.db2.gz GXMJJAZTOHPHQS-IUCAKERBSA-N 0 3 194.278 2.071 10 0 AEAEHN Cc1nc(C)c(CNC[C@H]2C[C@H]2C)o1 628202539 347309016 /nfs/dbraw/zinc/30/90/16/347309016.db2.gz YLHLMKPENBLEAC-GMSGAONNSA-N 0 3 194.278 2.037 10 0 AEAEHN Cc1ncc(CN2CC[C@@H](C)[C@H]2C)o1 628189799 347309044 /nfs/dbraw/zinc/30/90/44/347309044.db2.gz NCTDOHTXJZUJNS-RKDXNWHRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN2CC[C@H](C)[C@H]2C)o1 628189797 347309072 /nfs/dbraw/zinc/30/90/72/347309072.db2.gz NCTDOHTXJZUJNS-DTWKUNHWSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN2C[C@@H](C)[C@H](C)C2)o1 628178880 347309235 /nfs/dbraw/zinc/30/92/35/347309235.db2.gz GXMJJAZTOHPHQS-RKDXNWHRSA-N 0 3 194.278 2.071 10 0 AEAEHN CCN(Cc1cnc(C)o1)C1CCC1 628181475 347309261 /nfs/dbraw/zinc/30/92/61/347309261.db2.gz DWYKAUFSMRICNN-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ncc(CN2C[C@H](C)C[C@@H]2C)o1 628183344 347309313 /nfs/dbraw/zinc/30/93/13/347309313.db2.gz YGRGUQNGKYQYLM-BDAKNGLRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1nc(C)c(CNC[C@@H]2C[C@H]2C)o1 628202541 347309338 /nfs/dbraw/zinc/30/93/38/347309338.db2.gz YLHLMKPENBLEAC-XCBNKYQSSA-N 0 3 194.278 2.037 10 0 AEAEHN CCN(Cc1cnc(C)o1)CC1CC1 628173966 347309355 /nfs/dbraw/zinc/30/93/55/347309355.db2.gz RJBQPHBWTFFMDA-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1nc(C)c(CNC[C@H]2C[C@@H]2C)o1 628202540 347309390 /nfs/dbraw/zinc/30/93/90/347309390.db2.gz YLHLMKPENBLEAC-OIBJUYFYSA-N 0 3 194.278 2.037 10 0 AEAEHN Cc1ncc(CN2CC[C@@H](C)[C@@H]2C)o1 628189796 347309417 /nfs/dbraw/zinc/30/94/17/347309417.db2.gz NCTDOHTXJZUJNS-BDAKNGLRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN2CC[C@@H]2C(C)C)o1 628198943 347309442 /nfs/dbraw/zinc/30/94/42/347309442.db2.gz SGBZQCVERHGNBY-LLVKDONJSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CN2[C@@H](C)CC[C@H]2C)o1 628190609 347309583 /nfs/dbraw/zinc/30/95/83/347309583.db2.gz KURBRFFNNXZZMA-DTORHVGOSA-N 0 3 194.278 2.356 10 0 AEAEHN Cc1ncc(CN2CC[C@H]2C(C)C)o1 628198944 347309590 /nfs/dbraw/zinc/30/95/90/347309590.db2.gz SGBZQCVERHGNBY-NSHDSACASA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CNC2(C)CCCC2)o1 628200506 347309616 /nfs/dbraw/zinc/30/96/16/347309616.db2.gz PBKRJQBFVGKCMX-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN CC[C@H]1CCN(Cc2cnc(C)o2)C1 628190000 347309640 /nfs/dbraw/zinc/30/96/40/347309640.db2.gz SROLPJSLJYEADK-JTQLQIEISA-N 0 3 194.278 2.215 10 0 AEAEHN Cc1ncc(CN2C[C@H](C)C[C@H]2C)o1 628183347 347309648 /nfs/dbraw/zinc/30/96/48/347309648.db2.gz YGRGUQNGKYQYLM-RKDXNWHRSA-N 0 3 194.278 2.213 10 0 AEAEHN Cc1ncc(CNC[C@H](C)C2CC2)o1 628209139 347309856 /nfs/dbraw/zinc/30/98/56/347309856.db2.gz PYOHPXJLPBBJSS-QMMMGPOBSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1ncc(CNC[C@H]2CC2(C)C)o1 628214075 347309881 /nfs/dbraw/zinc/30/98/81/347309881.db2.gz JMVWZHARTFXVKL-SECBINFHSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1ncc(CN[C@@H]2CC=CCC2)o1 628218225 347310081 /nfs/dbraw/zinc/31/00/81/347310081.db2.gz YDPMLVFKHGDHAL-SNVBAGLBSA-N 0 3 192.262 2.181 10 0 AEAEHN Cc1nc(C)c(CNC[C@@H]2C[C@@H]2C)o1 628202542 347310097 /nfs/dbraw/zinc/31/00/97/347310097.db2.gz YLHLMKPENBLEAC-XVKPBYJWSA-N 0 3 194.278 2.037 10 0 AEAEHN Cc1ncc(CN[C@H]2CC=CCC2)o1 628218224 347310104 /nfs/dbraw/zinc/31/01/04/347310104.db2.gz YDPMLVFKHGDHAL-JTQLQIEISA-N 0 3 192.262 2.181 10 0 AEAEHN Cc1ncc(CNC[C@@H]2CC2(C)C)o1 628214076 347310297 /nfs/dbraw/zinc/31/02/97/347310297.db2.gz JMVWZHARTFXVKL-VIFPVBQESA-N 0 3 194.278 2.119 10 0 AEAEHN CCC(C)(C)NCc1cnc(C)o1 628211038 347310339 /nfs/dbraw/zinc/31/03/39/347310339.db2.gz UDWGRJRDSCBUMJ-UHFFFAOYSA-N 0 3 182.267 2.261 10 0 AEAEHN Cc1ncc(CNC(C)(C)C2CC2)o1 628216956 347310403 /nfs/dbraw/zinc/31/04/03/347310403.db2.gz GMHWFSJTUIUTCI-UHFFFAOYSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1ncc(CNC[C@@H](C)C2CC2)o1 628209138 347310408 /nfs/dbraw/zinc/31/04/08/347310408.db2.gz PYOHPXJLPBBJSS-MRVPVSSYSA-N 0 3 194.278 2.119 10 0 AEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc(C)o1 628221553 347310727 /nfs/dbraw/zinc/31/07/27/347310727.db2.gz MICODVRKCQUJDO-KOLCDFICSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@H]1C[C@H]1NCc1cnc(C)o1 628221552 347310763 /nfs/dbraw/zinc/31/07/63/347310763.db2.gz MICODVRKCQUJDO-GXSJLCMTSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1cnc(C)o1 628221554 347310786 /nfs/dbraw/zinc/31/07/86/347310786.db2.gz MICODVRKCQUJDO-MWLCHTKSSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@H]1C[C@@H]1NCc1cnc(C)o1 628221555 347310870 /nfs/dbraw/zinc/31/08/70/347310870.db2.gz MICODVRKCQUJDO-ONGXEEELSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nc(C)c(CNCC2(C)CC2)o1 628225835 347312020 /nfs/dbraw/zinc/31/20/20/347312020.db2.gz PHGWOKAMGLJEAZ-UHFFFAOYSA-N 0 3 194.278 2.181 10 0 AEAEHN CCC1(NCc2cnc(C)o2)CCC1 628226849 347312098 /nfs/dbraw/zinc/31/20/98/347312098.db2.gz GSERVISXHYQKOF-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN Cc1ncc(CNC2(C3CC3)CC2)o1 628227631 347312237 /nfs/dbraw/zinc/31/22/37/347312237.db2.gz NAFHIGGAVSJSMS-UHFFFAOYSA-N 0 3 192.262 2.015 10 0 AEAEHN CCC1(CNCc2cnc(C)o2)CC1 628225557 347312313 /nfs/dbraw/zinc/31/23/13/347312313.db2.gz FEGUAAZMDJYZEQ-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN Cc1ncc(CNC2(C)CCC2)o1 628233955 347312797 /nfs/dbraw/zinc/31/27/97/347312797.db2.gz DOPMYQHWMKCGOE-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN Cc1nc(C)c(CNC2(C)CCC2)o1 628234100 347312939 /nfs/dbraw/zinc/31/29/39/347312939.db2.gz LCHIYDMZWGHPTD-UHFFFAOYSA-N 0 3 194.278 2.324 10 0 AEAEHN CC(C)=CCCNCc1cnc(C)o1 628251119 347312971 /nfs/dbraw/zinc/31/29/71/347312971.db2.gz SNDXIUYLNIQTIT-UHFFFAOYSA-N 0 3 194.278 2.429 10 0 AEAEHN Cc1nc(C)c(CNC2CC=CC2)o1 628229341 347313161 /nfs/dbraw/zinc/31/31/61/347313161.db2.gz RKPGYCNEAQNWKK-UHFFFAOYSA-N 0 3 192.262 2.100 10 0 AEAEHN Cc1ncc(CNCCC2(C)CC2)o1 628254808 347313888 /nfs/dbraw/zinc/31/38/88/347313888.db2.gz PRZIFYBDNKKVOE-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN Cc1ncc(CNC2(C(C)C)CC2)o1 628295889 347313933 /nfs/dbraw/zinc/31/39/33/347313933.db2.gz NYBVAWMWYMAYSA-UHFFFAOYSA-N 0 3 194.278 2.261 10 0 AEAEHN CC[C@@H]1C[C@H]1CNCc1cnc(C)o1 628299495 347314530 /nfs/dbraw/zinc/31/45/30/347314530.db2.gz QAONDWOUZYYYRB-ZJUUUORDSA-N 0 3 194.278 2.119 10 0 AEAEHN CCC1(NCc2oc(C)nc2C)CC1 628298267 347314831 /nfs/dbraw/zinc/31/48/31/347314831.db2.gz ZUZYXRHIIULYES-UHFFFAOYSA-N 0 3 194.278 2.324 10 0 AEAEHN Cc1ncc(CNC2(C)CC=CC2)o1 628327183 347314647 /nfs/dbraw/zinc/31/46/47/347314647.db2.gz MEYZHSSYZKZHDE-UHFFFAOYSA-N 0 3 192.262 2.181 10 0 AEAEHN CCC1(NCc2cnc(C)o2)CC1 628297856 347314827 /nfs/dbraw/zinc/31/48/27/347314827.db2.gz NXLJPMOIGLRBDC-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN Cc1ncc(CN(C)C(C)(C)C)o1 628322665 347314886 /nfs/dbraw/zinc/31/48/86/347314886.db2.gz IDEDHJUEQIVFIK-UHFFFAOYSA-N 0 3 182.267 2.213 10 0 AEAEHN Cc1ncc(CN[C@]2(C)CC2(C)C)o1 628351951 347315556 /nfs/dbraw/zinc/31/55/56/347315556.db2.gz SVDIFPCDPHSLRE-LLVKDONJSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1ncc(CN[C@@]2(C)CC2(C)C)o1 628351952 347315467 /nfs/dbraw/zinc/31/54/67/347315467.db2.gz SVDIFPCDPHSLRE-NSHDSACASA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1ncc(CNCC2CC(C)C2)o1 628361322 347315714 /nfs/dbraw/zinc/31/57/14/347315714.db2.gz COJNRWAHYCHPJQ-UHFFFAOYSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1ccc(CN2C[C@H]3C[C@H]3C2)o1 628407451 347316367 /nfs/dbraw/zinc/31/63/67/347316367.db2.gz GNVRLOPYRAQTLZ-AOOOYVTPSA-N 0 3 177.247 2.040 10 0 AEAEHN c1cc(CN2C[C@H]3C[C@H]3C2)cs1 628407224 347316407 /nfs/dbraw/zinc/31/64/07/347316407.db2.gz BSFCBTWLWCNROX-AOOOYVTPSA-N 0 3 179.288 2.200 10 0 AEAEHN c1coc(CC2CN(CC3CC3)C2)c1 628432472 347317926 /nfs/dbraw/zinc/31/79/26/347317926.db2.gz FNVRGNAHENADCM-UHFFFAOYSA-N 0 3 191.274 2.164 10 0 AEAEHN CC(C)(C)CCN1CC2(CCCO2)C1 628427466 347318048 /nfs/dbraw/zinc/31/80/48/347318048.db2.gz DPBGVZPAYRADMC-UHFFFAOYSA-N 0 3 197.322 2.287 10 0 AEAEHN CCC(CC)CN1CC2(CCCO2)C1 628427332 347318440 /nfs/dbraw/zinc/31/84/40/347318440.db2.gz VIFYHGFVCBPXIY-UHFFFAOYSA-N 0 3 197.322 2.287 10 0 AEAEHN CC1CC(CNCc2ccns2)C1 630073541 347359202 /nfs/dbraw/zinc/35/92/02/347359202.db2.gz GRLVAYGVUJCWMG-UHFFFAOYSA-N 0 3 196.319 2.279 10 0 AEAEHN Cc1cc(CNCC2CC(C)C2)on1 630073220 347359318 /nfs/dbraw/zinc/35/93/18/347359318.db2.gz BSDXOHDTDUBJJP-UHFFFAOYSA-N 0 3 194.278 2.119 10 0 AEAEHN CC1(C)C[C@@]1(C)NCc1ccns1 630074846 347359941 /nfs/dbraw/zinc/35/99/41/347359941.db2.gz SXAPWJMNUCQPTP-SNVBAGLBSA-N 0 3 196.319 2.421 10 0 AEAEHN CC1(C)C[C@]1(C)NCc1ccns1 630074844 347360019 /nfs/dbraw/zinc/36/00/19/347360019.db2.gz SXAPWJMNUCQPTP-JTQLQIEISA-N 0 3 196.319 2.421 10 0 AEAEHN CCCCc1csc(CNC)n1 630381792 347361432 /nfs/dbraw/zinc/36/14/32/347361432.db2.gz XBJQUZVGWCNXIY-UHFFFAOYSA-N 0 3 184.308 2.205 10 0 AEAEHN FC(F)c1ccc(CNC2CC2)cn1 631029410 347375708 /nfs/dbraw/zinc/37/57/08/347375708.db2.gz AWBQCZCSXYKNRV-UHFFFAOYSA-N 0 3 198.216 2.271 10 0 AEAEHN CCNCc1ccc(C(F)F)nc1 631035679 347376253 /nfs/dbraw/zinc/37/62/53/347376253.db2.gz URHBFKHYEFFBNT-UHFFFAOYSA-N 0 3 186.205 2.129 10 0 AEAEHN Cc1cc(CNCCC2(C)CC2)on1 631123141 347376445 /nfs/dbraw/zinc/37/64/45/347376445.db2.gz BLKVYXUGPARVTR-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN Cc1cc(CNC2(C)CC=CC2)on1 631169288 347376737 /nfs/dbraw/zinc/37/67/37/347376737.db2.gz PWVTVCXHWSUCJA-UHFFFAOYSA-N 0 3 192.262 2.181 10 0 AEAEHN Cc1cnccc1CNCC(C)(C)F 631188368 347376867 /nfs/dbraw/zinc/37/68/67/347376867.db2.gz DGIOKPGPJSPLCJ-UHFFFAOYSA-N 0 3 196.269 2.228 10 0 AEAEHN Cc1cc(CNCC2CC=CC2)on1 631180826 347377151 /nfs/dbraw/zinc/37/71/51/347377151.db2.gz IJOSEHNKXKJHPQ-UHFFFAOYSA-N 0 3 192.262 2.039 10 0 AEAEHN CCC(C)(C)CCNCc1cc[nH]n1 631207421 347379282 /nfs/dbraw/zinc/37/92/82/347379282.db2.gz UNERIQNRVNHOPA-UHFFFAOYSA-N 0 3 195.310 2.326 10 0 AEAEHN CCC(C)(C)CCNCc1ncc[nH]1 631206960 347379695 /nfs/dbraw/zinc/37/96/95/347379695.db2.gz RFYNZQSUJBVLMW-UHFFFAOYSA-N 0 3 195.310 2.326 10 0 AEAEHN C[C@H](NCC(C)(C)F)c1ccncc1 631657766 347383667 /nfs/dbraw/zinc/38/36/67/347383667.db2.gz GOXLLEAFESCYEU-VIFPVBQESA-N 0 3 196.269 2.480 10 0 AEAEHN C[C@@H](NCC(C)(C)F)c1ccncc1 631657765 347383674 /nfs/dbraw/zinc/38/36/74/347383674.db2.gz GOXLLEAFESCYEU-SECBINFHSA-N 0 3 196.269 2.480 10 0 AEAEHN COC(C)(C)[C@H](C)NCC(C)(C)F 631665159 347385241 /nfs/dbraw/zinc/38/52/41/347385241.db2.gz WAICWFXJWBUREH-QMMMGPOBSA-N 0 3 191.290 2.138 10 0 AEAEHN COC(C)(C)[C@@H](C)NCC(C)(C)F 631665158 347385261 /nfs/dbraw/zinc/38/52/61/347385261.db2.gz WAICWFXJWBUREH-MRVPVSSYSA-N 0 3 191.290 2.138 10 0 AEAEHN CC(C)(NCc1ccon1)C1CCC1 634982970 347431261 /nfs/dbraw/zinc/43/12/61/347431261.db2.gz ATZLCTZGKWVSKV-UHFFFAOYSA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@@](C)(NCc1ccon1)C1CC1 634986590 347431787 /nfs/dbraw/zinc/43/17/87/347431787.db2.gz ZAXKSOVVQMQPIP-LLVKDONJSA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@](C)(NCc1ccon1)C1CC1 634986591 347431996 /nfs/dbraw/zinc/43/19/96/347431996.db2.gz ZAXKSOVVQMQPIP-NSHDSACASA-N 0 3 194.278 2.343 10 0 AEAEHN CCCN(CC)Cc1ccns1 637812922 347463919 /nfs/dbraw/zinc/46/39/19/347463919.db2.gz FIPVSZGWCZLMKM-UHFFFAOYSA-N 0 3 184.308 2.375 10 0 AEAEHN CCN(Cc1ccns1)CC1CC1 638074465 347473609 /nfs/dbraw/zinc/47/36/09/347473609.db2.gz BKFNTUCJWLNDNF-UHFFFAOYSA-N 0 3 196.319 2.375 10 0 AEAEHN CC1(CCNCc2ccns2)CC1 639118754 347502239 /nfs/dbraw/zinc/50/22/39/347502239.db2.gz QOEGJQAIMGOLSZ-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN CC1(NCc2ccns2)CC=CC1 639296678 347509292 /nfs/dbraw/zinc/50/92/92/347509292.db2.gz OTEYQRZKPQPBCT-UHFFFAOYSA-N 0 3 194.303 2.341 10 0 AEAEHN Cc1cc(CN[C@H]2CC23CC3)sn1 639277668 347509346 /nfs/dbraw/zinc/50/93/46/347509346.db2.gz QWRFZFTVXBOMOI-VIFPVBQESA-N 0 3 194.303 2.094 10 0 AEAEHN Cc1cc(CN[C@@H]2CC23CC3)sn1 639277667 347509390 /nfs/dbraw/zinc/50/93/90/347509390.db2.gz QWRFZFTVXBOMOI-SECBINFHSA-N 0 3 194.303 2.094 10 0 AEAEHN c1cc(CN[C@@H]2[C@H]3CCC[C@H]32)sn1 639323865 347510640 /nfs/dbraw/zinc/51/06/40/347510640.db2.gz FQMDIZHAZHXNCN-MYJAWHEDSA-N 0 3 194.303 2.031 10 0 AEAEHN c1cc(CN[C@H]2[C@H]3CCC[C@H]32)sn1 639323862 347510778 /nfs/dbraw/zinc/51/07/78/347510778.db2.gz FQMDIZHAZHXNCN-ILWJIGKKSA-N 0 3 194.303 2.031 10 0 AEAEHN C[C@H]1C[C@H](NCC(C)(C)F)CS1 639358522 347513656 /nfs/dbraw/zinc/51/36/56/347513656.db2.gz KQUBFPWFCUGSPJ-YUMQZZPRSA-N 0 3 191.315 2.218 10 0 AEAEHN C[C@@H]1C[C@H](NCC(C)(C)F)CS1 639358521 347513699 /nfs/dbraw/zinc/51/36/99/347513699.db2.gz KQUBFPWFCUGSPJ-SFYZADRCSA-N 0 3 191.315 2.218 10 0 AEAEHN C[C@H]1C[C@@H](NCC(C)(C)F)CS1 639358520 347513851 /nfs/dbraw/zinc/51/38/51/347513851.db2.gz KQUBFPWFCUGSPJ-JGVFFNPUSA-N 0 3 191.315 2.218 10 0 AEAEHN C[C@@H]1C[C@@H](NCC(C)(C)F)CS1 639358519 347513944 /nfs/dbraw/zinc/51/39/44/347513944.db2.gz KQUBFPWFCUGSPJ-HTQZYQBOSA-N 0 3 191.315 2.218 10 0 AEAEHN CCC[C@@H](CN1CC(C)(C)C1)OC 639393171 347516073 /nfs/dbraw/zinc/51/60/73/347516073.db2.gz HHPZDYXFTHTRMM-JTQLQIEISA-N 0 3 185.311 2.143 10 0 AEAEHN CCC[C@H](CN1CC(C)(C)C1)OC 639393172 347516114 /nfs/dbraw/zinc/51/61/14/347516114.db2.gz HHPZDYXFTHTRMM-SNVBAGLBSA-N 0 3 185.311 2.143 10 0 AEAEHN CC[C@]1(C)CCCN(CC(C)=O)C1 639502609 347521114 /nfs/dbraw/zinc/52/11/14/347521114.db2.gz BNVBPQREFQXFCH-LLVKDONJSA-N 0 3 183.295 2.088 10 0 AEAEHN CCC[C@@]1(C)CCCN(CC(C)=O)C1 639502247 347521305 /nfs/dbraw/zinc/52/13/05/347521305.db2.gz CKGGVBDGCDJTFO-LBPRGKRZSA-N 0 3 197.322 2.478 10 0 AEAEHN CC(=O)CN1C[C@H](C)CCC[C@H]1C 639499149 347521349 /nfs/dbraw/zinc/52/13/49/347521349.db2.gz GGVYWZJGAZGSIN-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)CN1C[C@@H](C)CCC[C@@H]1C 639499150 347521382 /nfs/dbraw/zinc/52/13/82/347521382.db2.gz GGVYWZJGAZGSIN-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)CN1C[C@@H](C)CCC[C@H]1C 639499151 347521422 /nfs/dbraw/zinc/52/14/22/347521422.db2.gz GGVYWZJGAZGSIN-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)CN1C[C@H](C)CCC[C@@H]1C 639499152 347521760 /nfs/dbraw/zinc/52/17/60/347521760.db2.gz GGVYWZJGAZGSIN-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@]1(C)CCCN(CC(C)=O)C1 639502246 347521812 /nfs/dbraw/zinc/52/18/12/347521812.db2.gz CKGGVBDGCDJTFO-GFCCVEGCSA-N 0 3 197.322 2.478 10 0 AEAEHN CC(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 639576664 347525468 /nfs/dbraw/zinc/52/54/68/347525468.db2.gz VLWBREBPSLWBHT-ZYHUDNBSSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 639576663 347525765 /nfs/dbraw/zinc/52/57/65/347525765.db2.gz VLWBREBPSLWBHT-PWSUYJOCSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 639576662 347525788 /nfs/dbraw/zinc/52/57/88/347525788.db2.gz VLWBREBPSLWBHT-JQWIXIFHSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 639576661 347525834 /nfs/dbraw/zinc/52/58/34/347525834.db2.gz VLWBREBPSLWBHT-CMPLNLGQSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CN(CC1CCC1)CC1CC1 639619437 347528849 /nfs/dbraw/zinc/52/88/49/347528849.db2.gz CVSNOCGWSFKOLU-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CCC(CC)N(CC)CC(C)=O 639644809 347529465 /nfs/dbraw/zinc/52/94/65/347529465.db2.gz BPTGNGMVSCKJBF-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN CC(=O)CN(C(C)C)C1CC(C)(C)C1 639674235 347532125 /nfs/dbraw/zinc/53/21/25/347532125.db2.gz POZCQHNAUKOAKI-UHFFFAOYSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(=O)CN1CCCC[C@@H]1C1CCC1 639698105 347532518 /nfs/dbraw/zinc/53/25/18/347532518.db2.gz GRHVEZBAOQDJDW-GFCCVEGCSA-N 0 3 195.306 2.230 10 0 AEAEHN CC(=O)CN1CCCC[C@H]1C1CCC1 639698106 347532823 /nfs/dbraw/zinc/53/28/23/347532823.db2.gz GRHVEZBAOQDJDW-LBPRGKRZSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC1(CC)CCCN(CC(C)=O)C1 639823693 347536704 /nfs/dbraw/zinc/53/67/04/347536704.db2.gz COFBRYKTGZDTIX-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CC(=O)CN1CCC[C@@H](C2CCC2)C1 639862117 347539357 /nfs/dbraw/zinc/53/93/57/347539357.db2.gz HSIDXKFUOLRLHG-GFCCVEGCSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CN(CCC1CC1)CC1CC1 639865514 347539396 /nfs/dbraw/zinc/53/93/96/347539396.db2.gz QJPXSLMFZOLULG-UHFFFAOYSA-N 0 3 195.306 2.088 10 0 AEAEHN CC(=O)CN1CCC[C@H](C2CCC2)C1 639862119 347539464 /nfs/dbraw/zinc/53/94/64/347539464.db2.gz HSIDXKFUOLRLHG-LBPRGKRZSA-N 0 3 195.306 2.088 10 0 AEAEHN CCCN(C)Cc1ccc(C)o1 642620633 347597506 /nfs/dbraw/zinc/59/75/06/347597506.db2.gz DBKKDWPIAXRKTJ-UHFFFAOYSA-N 0 3 167.252 2.430 10 0 AEAEHN C1CCN(CCOCC2CCC2)CC1 642650566 347599090 /nfs/dbraw/zinc/59/90/90/347599090.db2.gz GFGRCYYZGYEEGC-UHFFFAOYSA-N 0 3 197.322 2.289 10 0 AEAEHN C[C@H]1C[C@@H](C)N1CCOCC1CCC1 642705696 347601543 /nfs/dbraw/zinc/60/15/43/347601543.db2.gz ADSIIDSJMXJIAB-PHIMTYICSA-N 0 3 197.322 2.286 10 0 AEAEHN C[C@H]1C[C@H](C)N1CCOCC1CCC1 642705697 347601561 /nfs/dbraw/zinc/60/15/61/347601561.db2.gz ADSIIDSJMXJIAB-QWRGUYRKSA-N 0 3 197.322 2.286 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCOCC1CCC1 642705695 347602106 /nfs/dbraw/zinc/60/21/06/347602106.db2.gz ADSIIDSJMXJIAB-GHMZBOCLSA-N 0 3 197.322 2.286 10 0 AEAEHN C[C@H]1CN(CCOCC2CCC2)[C@H]1C 642709869 347602577 /nfs/dbraw/zinc/60/25/77/347602577.db2.gz RYROSAXVTRIMOR-QWRGUYRKSA-N 0 3 197.322 2.143 10 0 AEAEHN C[C@H]1[C@H](C)CN1CCOCC1CCC1 642709868 347602607 /nfs/dbraw/zinc/60/26/07/347602607.db2.gz RYROSAXVTRIMOR-MNOVXSKESA-N 0 3 197.322 2.143 10 0 AEAEHN C[C@H]1CN(CCOCC2CCC2)[C@@H]1C 642709870 347602655 /nfs/dbraw/zinc/60/26/55/347602655.db2.gz RYROSAXVTRIMOR-WDEREUQCSA-N 0 3 197.322 2.143 10 0 AEAEHN C[C@@H]1CN(CCOCC2CCC2)[C@@H]1C 642709867 347603089 /nfs/dbraw/zinc/60/30/89/347603089.db2.gz RYROSAXVTRIMOR-GHMZBOCLSA-N 0 3 197.322 2.143 10 0 AEAEHN C[C@@H]1C[C@]1(N)c1ccccc1F 11886197 351361933 /nfs/dbraw/zinc/36/19/33/351361933.db2.gz VVZSOIAUIWWFRI-GMSGAONNSA-N 0 3 165.211 2.020 10 0 AEAEHN C[C@@H]1C[C@@]1(N)c1ccccc1F 11886192 351362224 /nfs/dbraw/zinc/36/22/24/351362224.db2.gz VVZSOIAUIWWFRI-XCBNKYQSSA-N 0 3 165.211 2.020 10 0 AEAEHN c1cc2n(c1)CCN1CCCC[C@@H]21 15778465 351378738 /nfs/dbraw/zinc/37/87/38/351378738.db2.gz BQYWWNUDRTVLBX-JTQLQIEISA-N 0 3 176.263 2.029 10 0 AEAEHN c1cc2n(c1)CCN1CCCC[C@H]21 15778467 351378973 /nfs/dbraw/zinc/37/89/73/351378973.db2.gz BQYWWNUDRTVLBX-SNVBAGLBSA-N 0 3 176.263 2.029 10 0 AEAEHN c1ccc([C@@H]2CNCS2)cc1 32190536 351427608 /nfs/dbraw/zinc/42/76/08/351427608.db2.gz GICAUUVXTOCCIF-VIFPVBQESA-N 0 3 165.261 2.022 10 0 AEAEHN c1ccc([C@H]2CNCS2)cc1 32190538 351427724 /nfs/dbraw/zinc/42/77/24/351427724.db2.gz GICAUUVXTOCCIF-SECBINFHSA-N 0 3 165.261 2.022 10 0 AEAEHN CC(C)CC[C@@]1(C)NCCS1 33872493 351432375 /nfs/dbraw/zinc/43/23/75/351432375.db2.gz JNVZGMFOXVEVSD-VIFPVBQESA-N 0 3 173.325 2.475 10 0 AEAEHN CC(C)CC[C@]1(C)NCCS1 33872492 351432596 /nfs/dbraw/zinc/43/25/96/351432596.db2.gz JNVZGMFOXVEVSD-SECBINFHSA-N 0 3 173.325 2.475 10 0 AEAEHN C[C@@H]1CCCN(CC(=O)C(C)(C)C)C1 34988877 351446703 /nfs/dbraw/zinc/44/67/03/351446703.db2.gz DZDCJEQFGVNXLH-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CCCCN1CC(=O)C(C)(C)C 34989804 351446891 /nfs/dbraw/zinc/44/68/91/351446891.db2.gz XWIWAYHNLYVMCY-SNVBAGLBSA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@@H]1CSC(NCC2CCCC2)=N1 35295371 351448837 /nfs/dbraw/zinc/44/88/37/351448837.db2.gz DPMYHUBHDYUJOJ-MRVPVSSYSA-N 0 3 198.335 2.258 10 0 AEAEHN C[C@@H]1CSC(NC2CCCCC2)=N1 35287078 351449003 /nfs/dbraw/zinc/44/90/03/351449003.db2.gz ZLSPTOJFPHHITA-MRVPVSSYSA-N 0 3 198.335 2.400 10 0 AEAEHN CC(C)CNC1=NC(C)(C)CS1 35287154 351449138 /nfs/dbraw/zinc/44/91/38/351449138.db2.gz JJLGZURTBWIZKZ-UHFFFAOYSA-N 0 3 186.324 2.113 10 0 AEAEHN CC[C@@H](C)NC1=NC(C)(C)CS1 35287134 351449528 /nfs/dbraw/zinc/44/95/28/351449528.db2.gz XCIGXUKDLIRCRG-SSDOTTSWSA-N 0 3 186.324 2.256 10 0 AEAEHN C[C@@H]1CSC(NC2CCCC2)=N1 35287157 351449607 /nfs/dbraw/zinc/44/96/07/351449607.db2.gz WDNJXRPLSDUICP-SSDOTTSWSA-N 0 3 184.308 2.010 10 0 AEAEHN CC[C@@H](C)N1Cc2cccc(N)c2C1 36683601 351458781 /nfs/dbraw/zinc/45/87/81/351458781.db2.gz HPDZCPMOASVVNY-SECBINFHSA-N 0 3 190.290 2.383 10 0 AEAEHN CC[C@@H](C)Nc1cnccc1N(C)C 36940716 351461186 /nfs/dbraw/zinc/46/11/86/351461186.db2.gz WFXJQQPOQBPKHV-SECBINFHSA-N 0 3 193.294 2.358 10 0 AEAEHN c1cc(NCC2CCC2)ccn1 37180880 351464596 /nfs/dbraw/zinc/46/45/96/351464596.db2.gz XALQFYQNTTWSQB-UHFFFAOYSA-N 0 3 162.236 2.294 10 0 AEAEHN C[C@@H]1CCCN([C@@H]2CCCCC2=O)C1 37332550 351465424 /nfs/dbraw/zinc/46/54/24/351465424.db2.gz ZODWBUHLIJDQRC-GHMZBOCLSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H]1CCC[C@@H](NC2=NCCS2)C1 37256584 351465468 /nfs/dbraw/zinc/46/54/68/351465468.db2.gz NFAMEKGAXRHTKP-RKDXNWHRSA-N 0 3 198.335 2.258 10 0 AEAEHN CC(C)C[C@H](C)NC1=NCCS1 37265291 351465603 /nfs/dbraw/zinc/46/56/03/351465603.db2.gz PICKZBBFEJZVGM-QMMMGPOBSA-N 0 3 186.324 2.113 10 0 AEAEHN CC(C)CN(C)[C@H]1CCCCC1=O 37335681 351465667 /nfs/dbraw/zinc/46/56/67/351465667.db2.gz VSJBFRVMFKVBEI-JTQLQIEISA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@@H]1CCCCN1[C@@H]1CCCCC1=O 37332280 351465811 /nfs/dbraw/zinc/46/58/11/351465811.db2.gz OHQGQHKPKPMMIJ-GHMZBOCLSA-N 0 3 195.306 2.373 10 0 AEAEHN CC(C)C[C@@H](C)NC1=NCCS1 37265290 351465817 /nfs/dbraw/zinc/46/58/17/351465817.db2.gz PICKZBBFEJZVGM-MRVPVSSYSA-N 0 3 186.324 2.113 10 0 AEAEHN CC(C)CN(C)[C@@H]1CCCCC1=O 37335679 351465856 /nfs/dbraw/zinc/46/58/56/351465856.db2.gz VSJBFRVMFKVBEI-SNVBAGLBSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)CN(C)[C@@H]1CCCCCC1=O 37661073 351470681 /nfs/dbraw/zinc/47/06/81/351470681.db2.gz XLYBPCQIWNJKJJ-LLVKDONJSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)CN(C)[C@H]1CCCCCC1=O 37661074 351471253 /nfs/dbraw/zinc/47/12/53/351471253.db2.gz XLYBPCQIWNJKJJ-NSHDSACASA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@@H]1CCCN1CC(=O)C(C)(C)C 37911542 351475312 /nfs/dbraw/zinc/47/53/12/351475312.db2.gz XFKHXWSBGQXREB-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@@H]1CCCN1c1ccccc1CN 37909595 351475682 /nfs/dbraw/zinc/47/56/82/351475682.db2.gz WXZLWUBWWFGIPH-SNVBAGLBSA-N 0 3 190.290 2.134 10 0 AEAEHN c1cc(NCC[C@@H]2CCCO2)ccn1 38097469 351478653 /nfs/dbraw/zinc/47/86/53/351478653.db2.gz UJZAJCOKRCPOED-NSHDSACASA-N 0 3 192.262 2.063 10 0 AEAEHN C[C@@H]1c2sccc2CCN1C 39123422 351494714 /nfs/dbraw/zinc/49/47/14/351494714.db2.gz MWVDOIYOOUPDCD-SSDOTTSWSA-N 0 3 167.277 2.297 10 0 AEAEHN CCSc1nc(C)cc(C)c1CN 40509835 351507604 /nfs/dbraw/zinc/50/76/04/351507604.db2.gz VEDODWDWZVTFNK-UHFFFAOYSA-N 0 3 196.319 2.269 10 0 AEAEHN C[C@@H]1CSC(NCC(C)(C)C)=N1 40494745 351508151 /nfs/dbraw/zinc/50/81/51/351508151.db2.gz QSKXMZMVCYYPQH-SSDOTTSWSA-N 0 3 186.324 2.113 10 0 AEAEHN CC(C)C[C@@H]1CO[C@@H](C(C)(C)C)CN1 40797506 351511422 /nfs/dbraw/zinc/51/14/22/351511422.db2.gz LEGVKBDLTJVSQP-GHMZBOCLSA-N 0 3 199.338 2.436 10 0 AEAEHN CC(C)C[C@H]1CO[C@@H](C(C)(C)C)CN1 40797509 351511584 /nfs/dbraw/zinc/51/15/84/351511584.db2.gz LEGVKBDLTJVSQP-WDEREUQCSA-N 0 3 199.338 2.436 10 0 AEAEHN CC(C)C[C@@H]1CO[C@H](C(C)(C)C)CN1 40797500 351512020 /nfs/dbraw/zinc/51/20/20/351512020.db2.gz LEGVKBDLTJVSQP-MNOVXSKESA-N 0 3 199.338 2.436 10 0 AEAEHN CC(C)C[C@H]1CO[C@H](C(C)(C)C)CN1 40797503 351512043 /nfs/dbraw/zinc/51/20/43/351512043.db2.gz LEGVKBDLTJVSQP-QWRGUYRKSA-N 0 3 199.338 2.436 10 0 AEAEHN c1cc(NCc2nccs2)ccn1 41013274 351512719 /nfs/dbraw/zinc/51/27/19/351512719.db2.gz IYHMMBCZAZGOES-UHFFFAOYSA-N 0 3 191.259 2.150 10 0 AEAEHN c1ncc(CNC2CCCCCC2)o1 41050812 351514011 /nfs/dbraw/zinc/51/40/11/351514011.db2.gz VUZDFTVLIUICFC-UHFFFAOYSA-N 0 3 194.278 2.487 10 0 AEAEHN CC(C)(N)c1nc2c(s1)CCCC2 41059463 351515382 /nfs/dbraw/zinc/51/53/82/351515382.db2.gz GMKKPTIIBFHVEJ-UHFFFAOYSA-N 0 3 196.319 2.216 10 0 AEAEHN CC(C)C[C@@](C)(N)c1nccs1 41059883 351515512 /nfs/dbraw/zinc/51/55/12/351515512.db2.gz PCIPMQYMWATJFT-SECBINFHSA-N 0 3 184.308 2.363 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1nccs1 41059958 351515630 /nfs/dbraw/zinc/51/56/30/351515630.db2.gz CLKJGBYMOJHCBZ-RQJHMYQMSA-N 0 3 170.281 2.189 10 0 AEAEHN CC(C)C[C@](C)(N)c1nccs1 41059882 351516038 /nfs/dbraw/zinc/51/60/38/351516038.db2.gz PCIPMQYMWATJFT-VIFPVBQESA-N 0 3 184.308 2.363 10 0 AEAEHN C[C@@H]1CN[C@H](C)[C@H](c2cccs2)O1 41062155 351516204 /nfs/dbraw/zinc/51/62/04/351516204.db2.gz PLKCGGDTSJPKOO-NQMVMOMDSA-N 0 3 197.303 2.186 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1nccs1 41059960 351516257 /nfs/dbraw/zinc/51/62/57/351516257.db2.gz CLKJGBYMOJHCBZ-RNFRBKRXSA-N 0 3 170.281 2.189 10 0 AEAEHN C[C@@H]1NC[C@@H](C)O[C@H]1c1cccs1 41062157 351516385 /nfs/dbraw/zinc/51/63/85/351516385.db2.gz PLKCGGDTSJPKOO-KHQFGBGNSA-N 0 3 197.303 2.186 10 0 AEAEHN c1cc(NC[C@H]2CCCCO2)ccn1 42822906 351526699 /nfs/dbraw/zinc/52/66/99/351526699.db2.gz VQFPSFHRDOGFOF-LLVKDONJSA-N 0 3 192.262 2.063 10 0 AEAEHN c1cc(NC[C@@H]2CCCCO2)ccn1 42822894 351526869 /nfs/dbraw/zinc/52/68/69/351526869.db2.gz VQFPSFHRDOGFOF-NSHDSACASA-N 0 3 192.262 2.063 10 0 AEAEHN C[C@@H]1Sc2ccc(F)cc2[C@H]1N 43635904 351532614 /nfs/dbraw/zinc/53/26/14/351532614.db2.gz QZDWEMTWUREXDO-CDUCUWFYSA-N 0 3 183.251 2.320 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ccco1 43606868 351531741 /nfs/dbraw/zinc/53/17/41/351531741.db2.gz MTSSIXQWHUZYFT-VXNVDRBHSA-N 0 3 153.225 2.326 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ccco1 43606864 351531811 /nfs/dbraw/zinc/53/18/11/351531811.db2.gz MTSSIXQWHUZYFT-APPZFPTMSA-N 0 3 153.225 2.326 10 0 AEAEHN C[C@@H]1Sc2c(F)cccc2[C@@H]1N 43635968 351531997 /nfs/dbraw/zinc/53/19/97/351531997.db2.gz QVMLWIFCISWYTK-YLWLKBPMSA-N 0 3 183.251 2.320 10 0 AEAEHN CC1Oc2c(Cl)cccc2C1=O 43633034 351532030 /nfs/dbraw/zinc/53/20/30/351532030.db2.gz HLZPMTWWRDMMBO-YFKPBYRVSA-N 0 3 182.606 2.304 10 0 AEAEHN C[C@@H]1Oc2c(Cl)cccc2[C@@H]1N 43633619 351532413 /nfs/dbraw/zinc/53/24/13/351532413.db2.gz CUPFNSYQORBWAZ-YLWLKBPMSA-N 0 3 183.638 2.121 10 0 AEAEHN C[C@@H]1Sc2c(F)cccc2[C@H]1N 43635964 351532505 /nfs/dbraw/zinc/53/25/05/351532505.db2.gz QVMLWIFCISWYTK-XNCJUZBTSA-N 0 3 183.251 2.320 10 0 AEAEHN C[C@@H]1Sc2ccc(F)cc2[C@@H]1N 43635908 351532530 /nfs/dbraw/zinc/53/25/30/351532530.db2.gz QZDWEMTWUREXDO-SSDLBLMSSA-N 0 3 183.251 2.320 10 0 AEAEHN C[C@@H]1Oc2c(Cl)cccc2[C@H]1N 43641555 351533420 /nfs/dbraw/zinc/53/34/20/351533420.db2.gz CUPFNSYQORBWAZ-XNCJUZBTSA-N 0 3 183.638 2.121 10 0 AEAEHN C[C@@H]1Sc2ccccc2[C@@H]1N 43642031 351533456 /nfs/dbraw/zinc/53/34/56/351533456.db2.gz MGEXSVFSDBESSL-IMTBSYHQSA-N 0 3 165.261 2.181 10 0 AEAEHN C[C@@H]1Sc2ccccc2[C@H]1N 43642029 351533531 /nfs/dbraw/zinc/53/35/31/351533531.db2.gz MGEXSVFSDBESSL-RCOVLWMOSA-N 0 3 165.261 2.181 10 0 AEAEHN CC(C)C[C@H](C)N1CCC(=O)[C@@H](C)C1 49693715 351548253 /nfs/dbraw/zinc/54/82/53/351548253.db2.gz OVMSMEIMQPRSDB-QWRGUYRKSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H](c1ccccc1)[C@@H]1NCCS1 50522951 351554149 /nfs/dbraw/zinc/55/41/49/351554149.db2.gz MEGPXOOEQVDGGB-GXSJLCMTSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@@H]1NCCc2c(F)cccc21 50682641 351555417 /nfs/dbraw/zinc/55/54/17/351555417.db2.gz IZFOXXDHUSYAHZ-ZETCQYMHSA-N 0 3 165.211 2.032 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1Nc1nccn1C 50605710 351555527 /nfs/dbraw/zinc/55/55/27/351555527.db2.gz SISVYQRXDDROAD-ZJUUUORDSA-N 0 3 193.294 2.411 10 0 AEAEHN C[C@@H]1CCCC[C@H]1Nc1nccn1C 50605715 351555563 /nfs/dbraw/zinc/55/55/63/351555563.db2.gz SISVYQRXDDROAD-NXEZZACHSA-N 0 3 193.294 2.411 10 0 AEAEHN C[C@@H]1CCC[C@@H](Nc2nccn2C)C1 50605797 351555695 /nfs/dbraw/zinc/55/56/95/351555695.db2.gz RQSTWJWERVKCQO-NXEZZACHSA-N 0 3 193.294 2.411 10 0 AEAEHN C[C@@H]1CCC[C@H](Nc2nccn2C)C1 50605791 351555823 /nfs/dbraw/zinc/55/58/23/351555823.db2.gz RQSTWJWERVKCQO-ZJUUUORDSA-N 0 3 193.294 2.411 10 0 AEAEHN CC[C@@H](C)c1nc(CN)cs1 51690621 351559488 /nfs/dbraw/zinc/55/94/88/351559488.db2.gz MCQQEFANTNFLMU-ZCFIWIBFSA-N 0 3 170.281 2.115 10 0 AEAEHN C[C@@H]1Cc2ccc(Cl)cc2CN1 52095241 351562046 /nfs/dbraw/zinc/56/20/46/351562046.db2.gz LCWVNLWOBIYQTJ-SSDOTTSWSA-N 0 3 181.666 2.374 10 0 AEAEHN C[C@@H]1Cc2c(Cl)cccc2CN1 52095243 351562225 /nfs/dbraw/zinc/56/22/25/351562225.db2.gz SBJAUEVCQOXWSJ-SSDOTTSWSA-N 0 3 181.666 2.374 10 0 AEAEHN CCOc1cccc2c1CCN[C@@H]2C 52095369 351562331 /nfs/dbraw/zinc/56/23/31/351562331.db2.gz YLUADHCOUCUVIP-SECBINFHSA-N 0 3 191.274 2.292 10 0 AEAEHN CCOc1cccc2c1C[C@@H](C)NC2 52095232 351562342 /nfs/dbraw/zinc/56/23/42/351562342.db2.gz BXZPLYWEFUBZIA-SECBINFHSA-N 0 3 191.274 2.120 10 0 AEAEHN C[C@@H]1NCCc2c(F)ccc(F)c21 52095400 351562421 /nfs/dbraw/zinc/56/24/21/351562421.db2.gz XNJONSPBVGLAIL-LURJTMIESA-N 0 3 183.201 2.172 10 0 AEAEHN CCOc1cccc2c1C[C@H](C)NC2 52095231 351562469 /nfs/dbraw/zinc/56/24/69/351562469.db2.gz BXZPLYWEFUBZIA-VIFPVBQESA-N 0 3 191.274 2.120 10 0 AEAEHN CCOc1ccc2c(c1)CN[C@H](C)C2 52095227 351562578 /nfs/dbraw/zinc/56/25/78/351562578.db2.gz YBBKIPFUHDZEAW-SECBINFHSA-N 0 3 191.274 2.120 10 0 AEAEHN CCOc1ccc2c(c1)[C@@H](C)NCC2 52095366 351562589 /nfs/dbraw/zinc/56/25/89/351562589.db2.gz DVAYUEHDDFQUAD-SECBINFHSA-N 0 3 191.274 2.292 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1ccccc1F 52271582 351564906 /nfs/dbraw/zinc/56/49/06/351564906.db2.gz FNKYCASLJOMORH-LDYMZIIASA-N 0 3 179.238 2.324 10 0 AEAEHN CCOc1cccc2c1CCN[C@H]2C 52095370 351562854 /nfs/dbraw/zinc/56/28/54/351562854.db2.gz YLUADHCOUCUVIP-VIFPVBQESA-N 0 3 191.274 2.292 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1ccsc1 52269988 351564533 /nfs/dbraw/zinc/56/45/33/351564533.db2.gz ADFGSFXBYNMMDK-APPZFPTMSA-N 0 3 167.277 2.246 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1ccsc1 52269994 351564544 /nfs/dbraw/zinc/56/45/44/351564544.db2.gz ADFGSFXBYNMMDK-VXNVDRBHSA-N 0 3 167.277 2.246 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1ccc(F)c(F)c1 52269615 351564662 /nfs/dbraw/zinc/56/46/62/351564662.db2.gz IERURYMRLSCFGM-RDDDGLTNSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1ccc(F)cc1F 52269397 351564924 /nfs/dbraw/zinc/56/49/24/351564924.db2.gz QFEVWKDOLNLQBG-HQJQHLMTSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1ccc(F)cc1F 52269404 351565036 /nfs/dbraw/zinc/56/50/36/351565036.db2.gz QFEVWKDOLNLQBG-RDDDGLTNSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1ccccc1F 52271578 351565091 /nfs/dbraw/zinc/56/50/91/351565091.db2.gz FNKYCASLJOMORH-KCJUWKMLSA-N 0 3 179.238 2.324 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1ccc(F)c(F)c1 52269609 351565183 /nfs/dbraw/zinc/56/51/83/351565183.db2.gz IERURYMRLSCFGM-HQJQHLMTSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1ccc(Cl)o1 52272966 351565645 /nfs/dbraw/zinc/56/56/45/351565645.db2.gz BVNCNYCPXHYDFS-HTRCEHHLSA-N 0 3 185.654 2.431 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1cccc(F)c1F 52278808 351565717 /nfs/dbraw/zinc/56/57/17/351565717.db2.gz YKDXLMCLFGDDGQ-XCBNKYQSSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1ccc(Cl)o1 52272962 351565759 /nfs/dbraw/zinc/56/57/59/351565759.db2.gz BVNCNYCPXHYDFS-SVRRBLITSA-N 0 3 185.654 2.431 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1cc(F)ccc1F 52272900 351566068 /nfs/dbraw/zinc/56/60/68/351566068.db2.gz QAMUBEITQXGJSJ-RDDDGLTNSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1cccc(F)c1F 52278812 351566082 /nfs/dbraw/zinc/56/60/82/351566082.db2.gz YKDXLMCLFGDDGQ-GMSGAONNSA-N 0 3 197.228 2.463 10 0 AEAEHN CC[C@@H](C)c1nc2c(s1)CNCC2 53335758 351569759 /nfs/dbraw/zinc/56/97/59/351569759.db2.gz WILXMRABXXUHPV-SSDOTTSWSA-N 0 3 196.319 2.302 10 0 AEAEHN C[C@@H]1CNCc2cc(F)ccc21 58518040 351581180 /nfs/dbraw/zinc/58/11/80/351581180.db2.gz XBXBNWTZYVMTQD-SSDOTTSWSA-N 0 3 165.211 2.032 10 0 AEAEHN c1coc(CN[C@@H]2CCCSC2)c1 61570526 351582221 /nfs/dbraw/zinc/58/22/21/351582221.db2.gz XJWXRHBVRHMTKW-SECBINFHSA-N 0 3 197.303 2.265 10 0 AEAEHN c1coc(CN[C@H]2CCCSC2)c1 61570531 351582554 /nfs/dbraw/zinc/58/25/54/351582554.db2.gz XJWXRHBVRHMTKW-VIFPVBQESA-N 0 3 197.303 2.265 10 0 AEAEHN CC(C)(N)c1cnc(C2CC2)s1 62201403 351586273 /nfs/dbraw/zinc/58/62/73/351586273.db2.gz QEQPDXOVMGZUDG-UHFFFAOYSA-N 0 3 182.292 2.214 10 0 AEAEHN CCOc1cc(F)ccc1[C@@H](C)N 62745228 351589823 /nfs/dbraw/zinc/58/98/23/351589823.db2.gz RNFJTKKVLCMPIH-SSDOTTSWSA-N 0 3 183.226 2.244 10 0 AEAEHN CCOc1cc(F)ccc1[C@H](C)N 62745229 351589843 /nfs/dbraw/zinc/58/98/43/351589843.db2.gz RNFJTKKVLCMPIH-ZETCQYMHSA-N 0 3 183.226 2.244 10 0 AEAEHN c1ccc2c(c1)OC[C@H]2NCC1CC1 69606612 351596842 /nfs/dbraw/zinc/59/68/42/351596842.db2.gz GFLNYJNQQJLNBQ-LLVKDONJSA-N 0 3 189.258 2.120 10 0 AEAEHN c1ccc2c(c1)OC[C@@H]2NCC1CC1 69606613 351597402 /nfs/dbraw/zinc/59/74/02/351597402.db2.gz GFLNYJNQQJLNBQ-NSHDSACASA-N 0 3 189.258 2.120 10 0 AEAEHN c1csc(CN[C@H]2CCCOC2)c1 71011076 351609284 /nfs/dbraw/zinc/60/92/84/351609284.db2.gz RJWRPHRNTFNBNA-VIFPVBQESA-N 0 3 197.303 2.017 10 0 AEAEHN c1csc(CN[C@@H]2CCCOC2)c1 71011073 351609555 /nfs/dbraw/zinc/60/95/55/351609555.db2.gz RJWRPHRNTFNBNA-SECBINFHSA-N 0 3 197.303 2.017 10 0 AEAEHN CC[C@@H](C)Nc1cccc(F)c1CN 71507369 351611772 /nfs/dbraw/zinc/61/17/72/351611772.db2.gz DTNUXSUFZUAGLL-MRVPVSSYSA-N 0 3 196.269 2.495 10 0 AEAEHN CC[C@@H](C)Nc1ccc(F)cc1CN 71507383 351613040 /nfs/dbraw/zinc/61/30/40/351613040.db2.gz WVUBBSLCMYSNMB-MRVPVSSYSA-N 0 3 196.269 2.495 10 0 AEAEHN [O-]c1ccc([C@@H]2CCC[NH2+]2)c(Cl)c1 72201740 351615597 /nfs/dbraw/zinc/61/55/97/351615597.db2.gz CKGOOXFSZALNSE-JTQLQIEISA-N 0 3 197.665 2.470 10 0 AEAEHN [O-]c1ccc([C@H]2CCC[NH2+]2)c(Cl)c1 72201741 351616263 /nfs/dbraw/zinc/61/62/63/351616263.db2.gz CKGOOXFSZALNSE-SNVBAGLBSA-N 0 3 197.665 2.470 10 0 AEAEHN CCOc1ccc2c(N)ccnc2c1 72237161 351617700 /nfs/dbraw/zinc/61/77/00/351617700.db2.gz LGHOMAJNKRILOI-UHFFFAOYSA-N 0 3 188.230 2.216 10 0 AEAEHN CC(C)CN1CCC[C@@H]1c1cc[nH]n1 72361118 351619604 /nfs/dbraw/zinc/61/96/04/351619604.db2.gz YRYYYGFPDXCDMR-LLVKDONJSA-N 0 3 193.294 2.203 10 0 AEAEHN CC(C)CN1CCC[C@H]1c1cc[nH]n1 72361119 351619960 /nfs/dbraw/zinc/61/99/60/351619960.db2.gz YRYYYGFPDXCDMR-NSHDSACASA-N 0 3 193.294 2.203 10 0 AEAEHN CCN1CCc2ccc(OC)cc2C1 74448323 351620889 /nfs/dbraw/zinc/62/08/89/351620889.db2.gz CSTOTIUMRGKITH-UHFFFAOYSA-N 0 3 191.274 2.073 10 0 AEAEHN C[C@@H]1C[C@H]1COc1ccccc1CN 87493551 351660000 /nfs/dbraw/zinc/66/00/00/351660000.db2.gz STMKZJKNRKSYCX-KOLCDFICSA-N 0 3 191.274 2.180 10 0 AEAEHN C[C@@H]1C[C@@H]1COc1ccccc1CN 87493549 351660137 /nfs/dbraw/zinc/66/01/37/351660137.db2.gz STMKZJKNRKSYCX-MWLCHTKSSA-N 0 3 191.274 2.180 10 0 AEAEHN CCSc1ccc2[nH]c(N)nc2c1 95924219 351676202 /nfs/dbraw/zinc/67/62/02/351676202.db2.gz FCEFZMUBBPBDBN-UHFFFAOYSA-N 0 3 193.275 2.257 10 0 AEAEHN CCSc1ccc2nc(N)[nH]c2c1 95924219 351676203 /nfs/dbraw/zinc/67/62/03/351676203.db2.gz FCEFZMUBBPBDBN-UHFFFAOYSA-N 0 3 193.275 2.257 10 0 AEAEHN CCOc1cccc(CN(C)C)c1 95932216 351677499 /nfs/dbraw/zinc/67/74/99/351677499.db2.gz KOOKZYKPFIUHRN-UHFFFAOYSA-N 0 3 179.263 2.147 10 0 AEAEHN NCc1ccc(C2CCOCC2)s1 107140687 351718224 /nfs/dbraw/zinc/71/82/24/351718224.db2.gz BNNSUPQTTUETEB-UHFFFAOYSA-N 0 3 197.303 2.101 10 0 AEAEHN c1cc(CN[C@@H]2CCCSC2)co1 129248418 351735221 /nfs/dbraw/zinc/73/52/21/351735221.db2.gz ADEWTLCMPFLOAI-SNVBAGLBSA-N 0 3 197.303 2.265 10 0 AEAEHN c1cc(CN[C@H]2CCCSC2)co1 129248600 351735612 /nfs/dbraw/zinc/73/56/12/351735612.db2.gz ADEWTLCMPFLOAI-JTQLQIEISA-N 0 3 197.303 2.265 10 0 AEAEHN CCOc1ccccc1[C@@H](F)CN 158068406 351752623 /nfs/dbraw/zinc/75/26/23/351752623.db2.gz CWYMPGRZINQACB-VIFPVBQESA-N 0 3 183.226 2.055 10 0 AEAEHN CCOc1ccc([C@@H](F)CN)cc1 158066565 351752654 /nfs/dbraw/zinc/75/26/54/351752654.db2.gz SFSFHADFYNBVDZ-JTQLQIEISA-N 0 3 183.226 2.055 10 0 AEAEHN CCOc1ccc([C@H](F)CN)cc1 158066420 351752803 /nfs/dbraw/zinc/75/28/03/351752803.db2.gz SFSFHADFYNBVDZ-SNVBAGLBSA-N 0 3 183.226 2.055 10 0 AEAEHN CCOc1ccccc1[C@H](F)CN 158068264 351752812 /nfs/dbraw/zinc/75/28/12/351752812.db2.gz CWYMPGRZINQACB-SECBINFHSA-N 0 3 183.226 2.055 10 0 AEAEHN Cc1ccc(F)c([C@@H](F)CN)c1F 158068717 351752881 /nfs/dbraw/zinc/75/28/81/351752881.db2.gz IXUBDRGSEYJOLH-ZETCQYMHSA-N 0 3 189.180 2.243 10 0 AEAEHN Cc1ccc(F)c([C@H](F)CN)c1F 158068552 351752948 /nfs/dbraw/zinc/75/29/48/351752948.db2.gz IXUBDRGSEYJOLH-SSDOTTSWSA-N 0 3 189.180 2.243 10 0 AEAEHN C[C@@H]1C[C@H]1NCc1cc(F)cc(F)c1 162829329 351761403 /nfs/dbraw/zinc/76/14/03/351761403.db2.gz UUNNDYUVXXIQDQ-RDDDGLTNSA-N 0 3 197.228 2.463 10 0 AEAEHN C[C@@H]1C[C@@H]1NCc1cc(F)cc(F)c1 162829090 351761644 /nfs/dbraw/zinc/76/16/44/351761644.db2.gz UUNNDYUVXXIQDQ-HQJQHLMTSA-N 0 3 197.228 2.463 10 0 AEAEHN Cc1ccc(C)c(CN(C)C)c1 196441200 351776255 /nfs/dbraw/zinc/77/62/55/351776255.db2.gz WXKVEABIFRDADS-UHFFFAOYSA-N 0 3 163.264 2.365 10 0 AEAEHN CCC[C@H](C)N1CCC(=O)[C@@H](C)C1 219736515 351791031 /nfs/dbraw/zinc/79/10/31/351791031.db2.gz HGIMIRASIMPTEP-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CCC[C@@H](C)N1CCC(=O)[C@@H](C)C1 219736454 351791363 /nfs/dbraw/zinc/79/13/63/351791363.db2.gz HGIMIRASIMPTEP-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)C[C@@H](C)N1CCC(=O)[C@@H](C)C1 219737919 351791507 /nfs/dbraw/zinc/79/15/07/351791507.db2.gz OVMSMEIMQPRSDB-WDEREUQCSA-N 0 3 197.322 2.332 10 0 AEAEHN C/C=C/CNCc1ccc(OC)cc1 220103328 351791824 /nfs/dbraw/zinc/79/18/24/351791824.db2.gz KDTSVUBYGSOGPO-ONEGZZNKSA-N 0 3 191.274 2.361 10 0 AEAEHN C/C=C/CNCc1ccccc1F 220105888 351791987 /nfs/dbraw/zinc/79/19/87/351791987.db2.gz AXXVAQCIAVQZIQ-NSCUHMNNSA-N 0 3 179.238 2.491 10 0 AEAEHN C/C=C/CNCc1ccc(F)cc1 220104833 351792048 /nfs/dbraw/zinc/79/20/48/351792048.db2.gz YUVHUAOZGQFZPH-NSCUHMNNSA-N 0 3 179.238 2.491 10 0 AEAEHN C/C=C/CNCc1ccccc1OC 220103941 351792105 /nfs/dbraw/zinc/79/21/05/351792105.db2.gz YAPOVPTZVGAINI-ONEGZZNKSA-N 0 3 191.274 2.361 10 0 AEAEHN CCCN[C@@H]1COCc2ccccc21 225973484 351800503 /nfs/dbraw/zinc/80/05/03/351800503.db2.gz XWUPZKSRGHTGFR-GFCCVEGCSA-N 0 3 191.274 2.258 10 0 AEAEHN CCCN[C@H]1COCc2ccccc21 225973500 351800662 /nfs/dbraw/zinc/80/06/62/351800662.db2.gz XWUPZKSRGHTGFR-LBPRGKRZSA-N 0 3 191.274 2.258 10 0 AEAEHN c1ccc2c(c1)COC[C@H]2NC1CC1 225973329 351800725 /nfs/dbraw/zinc/80/07/25/351800725.db2.gz DSTLDAJAPARHRB-GFCCVEGCSA-N 0 3 189.258 2.010 10 0 AEAEHN c1ccc2c(c1)COC[C@@H]2NC1CC1 225973313 351800728 /nfs/dbraw/zinc/80/07/28/351800728.db2.gz DSTLDAJAPARHRB-LBPRGKRZSA-N 0 3 189.258 2.010 10 0 AEAEHN Nc1ccncc1OC1CCCCC1 238661919 351823733 /nfs/dbraw/zinc/82/37/33/351823733.db2.gz CTMOKZKZBRYLAD-UHFFFAOYSA-N 0 3 192.262 2.375 10 0 AEAEHN CC(C)C[C@@H](C)N1CCC(=O)[C@H](C)C1 251818396 351836505 /nfs/dbraw/zinc/83/65/05/351836505.db2.gz OVMSMEIMQPRSDB-GHMZBOCLSA-N 0 3 197.322 2.332 10 0 AEAEHN COc1ccc([C@@](C)(F)[C@H](C)N)cc1 257831406 351851903 /nfs/dbraw/zinc/85/19/03/351851903.db2.gz JJPAVFSWBUTBIQ-KWQFWETISA-N 0 3 197.253 2.227 10 0 AEAEHN C[C@H](N)[C@@](C)(F)c1cccc(F)c1 257817337 351850395 /nfs/dbraw/zinc/85/03/95/351850395.db2.gz DPVUTTDQWADLSF-OIBJUYFYSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@@H](N)[C@](C)(F)c1ccc(F)cc1 257817360 351850435 /nfs/dbraw/zinc/85/04/35/351850435.db2.gz DQAVEBACHKTWPK-XCBNKYQSSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@H](N)[C@](C)(F)c1cccc(F)c1 257817341 351850487 /nfs/dbraw/zinc/85/04/87/351850487.db2.gz DPVUTTDQWADLSF-XVKPBYJWSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@@H](N)[C@@](C)(F)c1cccc(F)c1 257817154 351850674 /nfs/dbraw/zinc/85/06/74/351850674.db2.gz DPVUTTDQWADLSF-GMSGAONNSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@@H](N)[C@](C)(F)c1cccc(F)c1 257817339 351850700 /nfs/dbraw/zinc/85/07/00/351850700.db2.gz DPVUTTDQWADLSF-XCBNKYQSSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@H](N)[C@](C)(F)c1ccc(F)cc1 257817362 351850710 /nfs/dbraw/zinc/85/07/10/351850710.db2.gz DQAVEBACHKTWPK-XVKPBYJWSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@H](N)[C@@](C)(F)c1ccc(F)cc1 257817359 351850741 /nfs/dbraw/zinc/85/07/41/351850741.db2.gz DQAVEBACHKTWPK-OIBJUYFYSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@@H](N)[C@@](C)(F)c1ccc(F)cc1 257817357 351850751 /nfs/dbraw/zinc/85/07/51/351850751.db2.gz DQAVEBACHKTWPK-GMSGAONNSA-N 0 3 185.217 2.358 10 0 AEAEHN NC[C@H](F)c1ccc(F)cc1Cl 257833184 351851778 /nfs/dbraw/zinc/85/17/78/351851778.db2.gz KXIPCIWADZOOBI-QMMMGPOBSA-N 0 3 191.608 2.448 10 0 AEAEHN COc1ccc([C@@](C)(F)[C@@H](C)N)cc1 257831404 351851818 /nfs/dbraw/zinc/85/18/18/351851818.db2.gz JJPAVFSWBUTBIQ-KCJUWKMLSA-N 0 3 197.253 2.227 10 0 AEAEHN COc1ccc([C@](C)(F)[C@H](C)N)cc1 257831403 351851918 /nfs/dbraw/zinc/85/19/18/351851918.db2.gz JJPAVFSWBUTBIQ-GZMMTYOYSA-N 0 3 197.253 2.227 10 0 AEAEHN COc1ccc([C@](C)(F)[C@@H](C)N)cc1 257831408 351852020 /nfs/dbraw/zinc/85/20/20/351852020.db2.gz JJPAVFSWBUTBIQ-LDYMZIIASA-N 0 3 197.253 2.227 10 0 AEAEHN NC[C@@H](F)c1ccc(F)cc1Cl 257833182 351852044 /nfs/dbraw/zinc/85/20/44/351852044.db2.gz KXIPCIWADZOOBI-MRVPVSSYSA-N 0 3 191.608 2.448 10 0 AEAEHN CC1(c2ncc(CN)s2)CCCC1 257841992 351852369 /nfs/dbraw/zinc/85/23/69/351852369.db2.gz BXSLJCJSLJUTPA-UHFFFAOYSA-N 0 3 196.319 2.434 10 0 AEAEHN COc1cccc([C@@](C)(F)[C@H](C)N)c1 257835980 351852425 /nfs/dbraw/zinc/85/24/25/351852425.db2.gz KRRMUKMSPMSIOU-KWQFWETISA-N 0 3 197.253 2.227 10 0 AEAEHN COc1cccc([C@@](C)(F)[C@@H](C)N)c1 257835978 351852435 /nfs/dbraw/zinc/85/24/35/351852435.db2.gz KRRMUKMSPMSIOU-KCJUWKMLSA-N 0 3 197.253 2.227 10 0 AEAEHN COc1cccc([C@](C)(F)[C@@H](C)N)c1 257835982 351852584 /nfs/dbraw/zinc/85/25/84/351852584.db2.gz KRRMUKMSPMSIOU-LDYMZIIASA-N 0 3 197.253 2.227 10 0 AEAEHN COc1cccc([C@](C)(F)[C@H](C)N)c1 257835977 351852928 /nfs/dbraw/zinc/85/29/28/351852928.db2.gz KRRMUKMSPMSIOU-GZMMTYOYSA-N 0 3 197.253 2.227 10 0 AEAEHN CSc1ccc([C@@H](F)CN)cc1 257862150 351853073 /nfs/dbraw/zinc/85/30/73/351853073.db2.gz VYYNMBAWBLXYFZ-VIFPVBQESA-N 0 3 185.267 2.378 10 0 AEAEHN NC[C@@H](F)c1ccc(F)c(Cl)c1 257858248 351853297 /nfs/dbraw/zinc/85/32/97/351853297.db2.gz UMNIDDLKFRHXLF-MRVPVSSYSA-N 0 3 191.608 2.448 10 0 AEAEHN NC[C@H](F)c1ccc(F)c(Cl)c1 257858249 351853304 /nfs/dbraw/zinc/85/33/04/351853304.db2.gz UMNIDDLKFRHXLF-QMMMGPOBSA-N 0 3 191.608 2.448 10 0 AEAEHN CSc1ccc([C@H](F)CN)cc1 257862149 351853578 /nfs/dbraw/zinc/85/35/78/351853578.db2.gz VYYNMBAWBLXYFZ-SECBINFHSA-N 0 3 185.267 2.378 10 0 AEAEHN C[C@@H](N)[C@](C)(F)c1ccccc1F 257910337 351854708 /nfs/dbraw/zinc/85/47/08/351854708.db2.gz QGNURQYBVQCAPT-XCBNKYQSSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@H](N)[C@](C)(F)c1ccccc1F 257910340 351854810 /nfs/dbraw/zinc/85/48/10/351854810.db2.gz QGNURQYBVQCAPT-XVKPBYJWSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@@H](N)[C@@](C)(F)c1ccccc1F 257910332 351855015 /nfs/dbraw/zinc/85/50/15/351855015.db2.gz QGNURQYBVQCAPT-GMSGAONNSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@H](N)[C@@](C)(F)c1ccccc1F 257910334 351855022 /nfs/dbraw/zinc/85/50/22/351855022.db2.gz QGNURQYBVQCAPT-OIBJUYFYSA-N 0 3 185.217 2.358 10 0 AEAEHN C[C@H](N)c1c(Cl)cccc1N(C)C 257987761 351856624 /nfs/dbraw/zinc/85/66/24/351856624.db2.gz AZYOLSCOWHVIMU-ZETCQYMHSA-N 0 3 198.697 2.426 10 0 AEAEHN C[C@@H](N)c1c(Cl)cccc1N(C)C 257987759 351856880 /nfs/dbraw/zinc/85/68/80/351856880.db2.gz AZYOLSCOWHVIMU-SSDOTTSWSA-N 0 3 198.697 2.426 10 0 AEAEHN CC1(c2nc(CN)cs2)CCCC1 258025215 351857293 /nfs/dbraw/zinc/85/72/93/351857293.db2.gz IFVTXADOVDZUPH-UHFFFAOYSA-N 0 3 196.319 2.434 10 0 AEAEHN CC(C)n1cncc1CN1CCCC1 258213919 351860668 /nfs/dbraw/zinc/86/06/68/351860668.db2.gz OVYNBAAJFVQFIR-UHFFFAOYSA-N 0 3 193.294 2.060 10 0 AEAEHN Cc1ncc(CN2CCCCCC2)o1 258331784 351861313 /nfs/dbraw/zinc/86/13/13/351861313.db2.gz XGWHTMLJOMZMIU-UHFFFAOYSA-N 0 3 194.278 2.359 10 0 AEAEHN CC(C)N1CCC[C@@H]1c1cccnn1 259278046 351872052 /nfs/dbraw/zinc/87/20/52/351872052.db2.gz BJBZDHYANHZFIV-LLVKDONJSA-N 0 3 191.278 2.022 10 0 AEAEHN CC(C)N1CCC[C@H]1c1cccnn1 259278049 351872273 /nfs/dbraw/zinc/87/22/73/351872273.db2.gz BJBZDHYANHZFIV-NSHDSACASA-N 0 3 191.278 2.022 10 0 AEAEHN NCc1cccc(Cc2ccccc2)n1 259297570 351872885 /nfs/dbraw/zinc/87/28/85/351872885.db2.gz UYPIMLWTNGSVJN-UHFFFAOYSA-N 0 3 198.269 2.131 10 0 AEAEHN CCN1CCCC[C@H]1c1cccnn1 259514820 351875135 /nfs/dbraw/zinc/87/51/35/351875135.db2.gz SBQJOHIJKFJRDK-NSHDSACASA-N 0 3 191.278 2.024 10 0 AEAEHN CCN1CCCC[C@@H]1c1cccnn1 259514816 351875355 /nfs/dbraw/zinc/87/53/55/351875355.db2.gz SBQJOHIJKFJRDK-LLVKDONJSA-N 0 3 191.278 2.024 10 0 AEAEHN CC1(c2nc(CN)c[nH]2)CCCCC1 259705313 351878151 /nfs/dbraw/zinc/87/81/51/351878151.db2.gz KQQIFUNKNOGPGM-UHFFFAOYSA-N 0 3 193.294 2.090 10 0 AEAEHN NC[C@H](F)c1coc2ccccc12 259787905 351879770 /nfs/dbraw/zinc/87/97/70/351879770.db2.gz QXSVHAGLQFDDPL-VIFPVBQESA-N 0 3 179.194 2.402 10 0 AEAEHN NC[C@@H](F)c1coc2ccccc12 259787897 351879841 /nfs/dbraw/zinc/87/98/41/351879841.db2.gz QXSVHAGLQFDDPL-SECBINFHSA-N 0 3 179.194 2.402 10 0 AEAEHN Cc1cc(CNC2(C)CCCC2)on1 306156954 351902709 /nfs/dbraw/zinc/90/27/09/351902709.db2.gz CUZDEHWGERBFGK-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN C[C@@H]1CCCN(Cc2cncs2)C1 306170000 351904585 /nfs/dbraw/zinc/90/45/85/351904585.db2.gz YQNCZTJJFMQXPM-SECBINFHSA-N 0 3 196.319 2.375 10 0 AEAEHN C[C@@H]1CCCN(Cc2ccc[nH]2)C1 306173688 351904990 /nfs/dbraw/zinc/90/49/90/351904990.db2.gz BOFWOTDSWMSIHA-SNVBAGLBSA-N 0 3 178.279 2.247 10 0 AEAEHN C[C@H]1CCCN(Cc2ccc[nH]2)C1 306173686 351905102 /nfs/dbraw/zinc/90/51/02/351905102.db2.gz BOFWOTDSWMSIHA-JTQLQIEISA-N 0 3 178.279 2.247 10 0 AEAEHN C[C@@H]1CSC[C@@H]1NCc1ccoc1 306191493 351905909 /nfs/dbraw/zinc/90/59/09/351905909.db2.gz OZBDDUJAQQNCJU-SCZZXKLOSA-N 0 3 197.303 2.121 10 0 AEAEHN C[C@@H]1CSC[C@H]1NCc1ccoc1 306191490 351906134 /nfs/dbraw/zinc/90/61/34/351906134.db2.gz OZBDDUJAQQNCJU-PSASIEDQSA-N 0 3 197.303 2.121 10 0 AEAEHN CC[C@@H]1CC[C@H](C)N(CC(C)=O)C1 306199203 351906528 /nfs/dbraw/zinc/90/65/28/351906528.db2.gz RQGPVYXPFRGPME-GXSJLCMTSA-N 0 3 183.295 2.086 10 0 AEAEHN C[C@H]1[C@@H](C)OCCN1CC(C)(C)C 306226979 351910555 /nfs/dbraw/zinc/91/05/55/351910555.db2.gz GJZLQRWQHXIGTF-VHSXEESVSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@@H]1OCCN(CC(C)(C)C)[C@H]1C 306226978 351910479 /nfs/dbraw/zinc/91/04/79/351910479.db2.gz GJZLQRWQHXIGTF-UWVGGRQHSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@@H]1OCCN(CC(C)(C)C)[C@@H]1C 306226981 351910498 /nfs/dbraw/zinc/91/04/98/351910498.db2.gz GJZLQRWQHXIGTF-ZJUUUORDSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@H]1OCCN(CC(C)(C)C)[C@@H]1C 306226975 351910615 /nfs/dbraw/zinc/91/06/15/351910615.db2.gz GJZLQRWQHXIGTF-NXEZZACHSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@@H]1CC[C@@H]1NCc1ccco1 306239659 351911785 /nfs/dbraw/zinc/91/17/85/351911785.db2.gz SKARMIBUDDWFNH-SCZZXKLOSA-N 0 3 165.236 2.168 10 0 AEAEHN C[C@@H]1CC[C@H]1NCc1ccco1 306239658 351911795 /nfs/dbraw/zinc/91/17/95/351911795.db2.gz SKARMIBUDDWFNH-PSASIEDQSA-N 0 3 165.236 2.168 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCC(F)(F)F 306333534 351920504 /nfs/dbraw/zinc/92/05/04/351920504.db2.gz FETIFZAUYULPBR-RNFRBKRXSA-N 0 3 181.201 2.422 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1ccco1 306351786 351922225 /nfs/dbraw/zinc/92/22/25/351922225.db2.gz XZVJCRVJFITGEW-RKDXNWHRSA-N 0 3 165.236 2.262 10 0 AEAEHN C[C@@H]1CC[C@@H]1NCc1cncs1 306435639 351929127 /nfs/dbraw/zinc/92/91/27/351929127.db2.gz LAAHFFLZOQDQNT-APPZFPTMSA-N 0 3 182.292 2.031 10 0 AEAEHN Cc1cc(CNC2(C)CCC2)on1 306490959 351936752 /nfs/dbraw/zinc/93/67/52/351936752.db2.gz ZUVLRSXOEJAPOE-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1ccn(C)c1 306617576 351950965 /nfs/dbraw/zinc/95/09/65/351950965.db2.gz QTFTXIRPPXXHCQ-NXEZZACHSA-N 0 3 178.279 2.008 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1ccncc1 306823943 351967434 /nfs/dbraw/zinc/96/74/34/351967434.db2.gz RWPNULVJOIKYFS-NXEZZACHSA-N 0 3 176.263 2.064 10 0 AEAEHN Cc1nc(C)c(CN[C@@H]2CC[C@@H]2C)o1 306979754 351979521 /nfs/dbraw/zinc/97/95/21/351979521.db2.gz PCUQELZTSKXBNG-OIBJUYFYSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1nc(C)c(CN[C@@H]2CC[C@H]2C)o1 306979753 351979578 /nfs/dbraw/zinc/97/95/78/351979578.db2.gz PCUQELZTSKXBNG-GMSGAONNSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1nc(C)c(CN[C@H]2CC[C@@H]2C)o1 306979756 351979619 /nfs/dbraw/zinc/97/96/19/351979619.db2.gz PCUQELZTSKXBNG-XVKPBYJWSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1nc(C)c(CN[C@H]2CC[C@H]2C)o1 306979755 351979646 /nfs/dbraw/zinc/97/96/46/351979646.db2.gz PCUQELZTSKXBNG-XCBNKYQSSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1nc(C)c(CNC2CC(C)C2)o1 307038828 351983092 /nfs/dbraw/zinc/98/30/92/351983092.db2.gz PPVHGVXBVDSSOQ-UHFFFAOYSA-N 0 3 194.278 2.180 10 0 AEAEHN Cc1cc(CN[C@H]2CC=CCC2)on1 307163416 351991238 /nfs/dbraw/zinc/99/12/38/351991238.db2.gz IUWONIZECOWDNL-JTQLQIEISA-N 0 3 192.262 2.181 10 0 AEAEHN Cc1cc(CN[C@@H]2CC=CCC2)on1 307163417 351991375 /nfs/dbraw/zinc/99/13/75/351991375.db2.gz IUWONIZECOWDNL-SNVBAGLBSA-N 0 3 192.262 2.181 10 0 AEAEHN CC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 307196234 351993421 /nfs/dbraw/zinc/99/34/21/351993421.db2.gz SVQKMSBSTJIOQJ-PSASIEDQSA-N 0 3 193.294 2.175 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1cccn1C 307196780 351993428 /nfs/dbraw/zinc/99/34/28/351993428.db2.gz UHSWLNLODGKOQF-NXEZZACHSA-N 0 3 178.279 2.008 10 0 AEAEHN CC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 307196235 351993476 /nfs/dbraw/zinc/99/34/76/351993476.db2.gz SVQKMSBSTJIOQJ-SCZZXKLOSA-N 0 3 193.294 2.175 10 0 AEAEHN Cc1cc(-c2ocnc2CN)cs1 307213549 351995933 /nfs/dbraw/zinc/99/59/33/351995933.db2.gz YCEBCBIBJOYRHO-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN C[C@@H]1CN(CCC(F)(F)F)[C@@H]1C 307230134 351997444 /nfs/dbraw/zinc/99/74/44/351997444.db2.gz BOXYFXIWUWYRBZ-RNFRBKRXSA-N 0 3 181.201 2.279 10 0 AEAEHN c1nc(CN[C@H]2C[C@@H]3C[C@@H]3C2)cs1 307346464 352005804 /nfs/dbraw/zinc/00/58/04/352005804.db2.gz PBMGVMSLILWUSJ-AYMMMOKOSA-N 0 3 194.303 2.031 10 0 AEAEHN c1coc(CN[C@H]2C[C@@H]3C[C@@H]3C2)c1 307362191 352007153 /nfs/dbraw/zinc/00/71/53/352007153.db2.gz IHOJTNISRJSIHU-ILWJIGKKSA-N 0 3 177.247 2.168 10 0 AEAEHN NC1(c2nccc3occc23)CCC1 307413115 352011367 /nfs/dbraw/zinc/01/13/67/352011367.db2.gz ROJSELONIAVJPG-UHFFFAOYSA-N 0 3 188.230 2.166 10 0 AEAEHN Cc1nocc1CN[C@@H]1C[C@H](C)[C@@H]1C 307542758 352021247 /nfs/dbraw/zinc/02/12/47/352021247.db2.gz UFUDOKUFGNBIQH-DKCNOQQISA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1nocc1CN[C@@H]1C[C@H](C)[C@H]1C 307542765 352021452 /nfs/dbraw/zinc/02/14/52/352021452.db2.gz UFUDOKUFGNBIQH-VAOFZXAKSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1nocc1CN[C@@H]1C[C@@H](C)[C@@H]1C 307542769 352021466 /nfs/dbraw/zinc/02/14/66/352021466.db2.gz UFUDOKUFGNBIQH-VHSKPIJISA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1nocc1CN[C@@H]1C[C@@H](C)[C@H]1C 307542761 352021484 /nfs/dbraw/zinc/02/14/84/352021484.db2.gz UFUDOKUFGNBIQH-SOCHQFKDSA-N 0 3 194.278 2.117 10 0 AEAEHN Cc1ccc([C@@H](N)C2=COCC2)s1 307679957 352031197 /nfs/dbraw/zinc/03/11/97/352031197.db2.gz SRAAKEGXOZKBKT-JTQLQIEISA-N 0 3 195.287 2.361 10 0 AEAEHN Cc1ccc([C@H](N)C2=COCC2)s1 307679958 352031268 /nfs/dbraw/zinc/03/12/68/352031268.db2.gz SRAAKEGXOZKBKT-SNVBAGLBSA-N 0 3 195.287 2.361 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1ccccn1 307696209 352033204 /nfs/dbraw/zinc/03/32/04/352033204.db2.gz KADCWHSHDKAEQC-NXEZZACHSA-N 0 3 176.263 2.064 10 0 AEAEHN CC(C)=CCN(C)[C@H]1CCCOC1 307748479 352037350 /nfs/dbraw/zinc/03/73/50/352037350.db2.gz BXROJBXESXWVGS-NSHDSACASA-N 0 3 183.295 2.063 10 0 AEAEHN CC(C)=CCN(C)[C@@H]1CCCOC1 307748478 352037530 /nfs/dbraw/zinc/03/75/30/352037530.db2.gz BXROJBXESXWVGS-LLVKDONJSA-N 0 3 183.295 2.063 10 0 AEAEHN CCCC[C@@H](C)N(C)CC(C)=O 308005569 352041936 /nfs/dbraw/zinc/04/19/36/352041936.db2.gz DBELFFDXJDOCAN-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CCCC[C@H](C)N(C)CC(C)=O 308005570 352042501 /nfs/dbraw/zinc/04/25/01/352042501.db2.gz DBELFFDXJDOCAN-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN COC[C@H](C)NCc1csc(C)c1 308232398 352045937 /nfs/dbraw/zinc/04/59/37/352045937.db2.gz UHRHUHOIDZPLMK-QMMMGPOBSA-N 0 3 199.319 2.181 10 0 AEAEHN CC(C)[C@H](C)CNCc1ccon1 308297116 352048436 /nfs/dbraw/zinc/04/84/36/352048436.db2.gz WHSFPGHBBHWLRD-SECBINFHSA-N 0 3 182.267 2.056 10 0 AEAEHN CC(C)[C@@H](C)CNCc1ccon1 308297117 352048762 /nfs/dbraw/zinc/04/87/62/352048762.db2.gz WHSFPGHBBHWLRD-VIFPVBQESA-N 0 3 182.267 2.056 10 0 AEAEHN CCC[C@@H]1C[C@@H]1NCc1cc(C)no1 308712779 352053570 /nfs/dbraw/zinc/05/35/70/352053570.db2.gz ZPXCRKYBXKOTRO-KOLCDFICSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1cc(C)no1 308712781 352053893 /nfs/dbraw/zinc/05/38/93/352053893.db2.gz ZPXCRKYBXKOTRO-MWLCHTKSSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@H]1C[C@H]1NCc1cc(C)no1 308712777 352053963 /nfs/dbraw/zinc/05/39/63/352053963.db2.gz ZPXCRKYBXKOTRO-GXSJLCMTSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1cc(CNCCCC2CC2)on1 308706030 352054025 /nfs/dbraw/zinc/05/40/25/352054025.db2.gz WUHKSZQYATUAFJ-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN CCC[C@H]1C[C@@H]1NCc1cc(C)no1 308712783 352054082 /nfs/dbraw/zinc/05/40/82/352054082.db2.gz ZPXCRKYBXKOTRO-ONGXEEELSA-N 0 3 194.278 2.261 10 0 AEAEHN CCc1nocc1CN1CCC[C@H]1C 334226944 352059652 /nfs/dbraw/zinc/05/96/52/352059652.db2.gz BCVRQBNIBHQHLC-SECBINFHSA-N 0 3 194.278 2.221 10 0 AEAEHN CCc1nocc1CN1CCC[C@@H]1C 334226950 352059711 /nfs/dbraw/zinc/05/97/11/352059711.db2.gz BCVRQBNIBHQHLC-VIFPVBQESA-N 0 3 194.278 2.221 10 0 AEAEHN C[C@@H]1CCCCCN1Cc1c[nH]cn1 334279528 352062245 /nfs/dbraw/zinc/06/22/45/352062245.db2.gz QGAOOZXDFBJCQC-SNVBAGLBSA-N 0 3 193.294 2.174 10 0 AEAEHN C[C@@H]1CCCN(Cc2cc[nH]n2)CC1 334315506 352063728 /nfs/dbraw/zinc/06/37/28/352063728.db2.gz NQPSRYPNTDFVAV-SNVBAGLBSA-N 0 3 193.294 2.032 10 0 AEAEHN C[C@@H]1CCC[C@@H](C)N1Cc1cc[nH]n1 334338670 352065316 /nfs/dbraw/zinc/06/53/16/352065316.db2.gz ZAMKRTAMCVYWFS-NXEZZACHSA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@@H]1CCCCCN1Cc1cc[nH]n1 334424931 352069043 /nfs/dbraw/zinc/06/90/43/352069043.db2.gz UDHYSLLLLBJABK-SNVBAGLBSA-N 0 3 193.294 2.174 10 0 AEAEHN Cc1cccc(CN2C[C@H](C)[C@H]2C)n1 334436887 352069740 /nfs/dbraw/zinc/06/97/40/352069740.db2.gz QLSHTTRJCONQRB-GXSJLCMTSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cccc(CN2C[C@@H](C)[C@@H]2C)n1 334436888 352070139 /nfs/dbraw/zinc/07/01/39/352070139.db2.gz QLSHTTRJCONQRB-KOLCDFICSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cccc(CN2C[C@@H](C)[C@H]2C)n1 334436890 352070204 /nfs/dbraw/zinc/07/02/04/352070204.db2.gz QLSHTTRJCONQRB-MWLCHTKSSA-N 0 3 190.290 2.230 10 0 AEAEHN CC(C)[C@H]1CCCN1Cc1cc[nH]n1 334453466 352070875 /nfs/dbraw/zinc/07/08/75/352070875.db2.gz DJZAQWLNJJSXIM-LLVKDONJSA-N 0 3 193.294 2.030 10 0 AEAEHN CC(C)[C@@H]1CCCN1Cc1cc[nH]n1 334453468 352070981 /nfs/dbraw/zinc/07/09/81/352070981.db2.gz DJZAQWLNJJSXIM-NSHDSACASA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@@H]1CCCN(Cc2c[nH]cn2)CC1 334474599 352072304 /nfs/dbraw/zinc/07/23/04/352072304.db2.gz MXELBPFTJDLKHZ-SNVBAGLBSA-N 0 3 193.294 2.032 10 0 AEAEHN C[C@@H]1CCCN(Cc2cnc[nH]2)CC1 334474599 352072307 /nfs/dbraw/zinc/07/23/07/352072307.db2.gz MXELBPFTJDLKHZ-SNVBAGLBSA-N 0 3 193.294 2.032 10 0 AEAEHN C[C@@H]1CCCCN(Cc2cc[nH]n2)C1 334639711 352077266 /nfs/dbraw/zinc/07/72/66/352077266.db2.gz YNKUPUYBXATQFF-SNVBAGLBSA-N 0 3 193.294 2.032 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCc1cncs1 334646789 352077279 /nfs/dbraw/zinc/07/72/79/352077279.db2.gz NLIZUGYLILMVCX-RKDXNWHRSA-N 0 3 196.319 2.168 10 0 AEAEHN C[C@@H]1CCN(Cc2ccno2)[C@H](C)C1 335091076 352089035 /nfs/dbraw/zinc/08/90/35/352089035.db2.gz CZURGBIHPFQZJS-NXEZZACHSA-N 0 3 194.278 2.295 10 0 AEAEHN C[C@@H]1CC[C@@]2(CCN(CC(N)=O)C2)C1 335312893 352094428 /nfs/dbraw/zinc/09/44/28/352094428.db2.gz HVKRJZIUSFBOMT-MWLCHTKSSA-N 0 3 196.294 2.034 10 0 AEAEHN C[C@@H]1CC[C@]2(CCN(CC(N)=O)C2)C1 335312891 352094555 /nfs/dbraw/zinc/09/45/55/352094555.db2.gz HVKRJZIUSFBOMT-KOLCDFICSA-N 0 3 196.294 2.034 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N(Cc2c[nH]cn2)C1 335723352 352110676 /nfs/dbraw/zinc/11/06/76/352110676.db2.gz XYLAFLATCGUYNQ-NXEZZACHSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N(Cc2cnc[nH]2)C1 335723352 352110679 /nfs/dbraw/zinc/11/06/79/352110679.db2.gz XYLAFLATCGUYNQ-NXEZZACHSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CC[C@@H](C)CN1Cc1c[nH]cn1 335723357 352110891 /nfs/dbraw/zinc/11/08/91/352110891.db2.gz XYLAFLATCGUYNQ-ZJUUUORDSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CC[C@@H](C)CN1Cc1cnc[nH]1 335723357 352110894 /nfs/dbraw/zinc/11/08/94/352110894.db2.gz XYLAFLATCGUYNQ-ZJUUUORDSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@@H]1CCCCCN1Cc1ccno1 335971291 352120705 /nfs/dbraw/zinc/12/07/05/352120705.db2.gz GMSPTYLIPXFKNR-SNVBAGLBSA-N 0 3 194.278 2.439 10 0 AEAEHN C[C@@H]1CN(C2CCC2)C[C@H](C2CC2)O1 336056008 352123464 /nfs/dbraw/zinc/12/34/64/352123464.db2.gz OVIVXFJWRZTFPZ-BXKDBHETSA-N 0 3 195.306 2.038 10 0 AEAEHN C[C@@H]1CN(C2CCC2)C[C@@H](C2CC2)O1 336056011 352123787 /nfs/dbraw/zinc/12/37/87/352123787.db2.gz OVIVXFJWRZTFPZ-SKDRFNHKSA-N 0 3 195.306 2.038 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCc1ccccn1 336055054 352124079 /nfs/dbraw/zinc/12/40/79/352124079.db2.gz BLAPSYMYVNUUPG-GHMZBOCLSA-N 0 3 190.290 2.107 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCc1cscn1 336204133 352128708 /nfs/dbraw/zinc/12/87/08/352128708.db2.gz LMTNQKUPDHGNPD-RKDXNWHRSA-N 0 3 196.319 2.168 10 0 AEAEHN c1cnc2oc(CNC3CC3)cc2c1 336219716 352129748 /nfs/dbraw/zinc/12/97/48/352129748.db2.gz QFGQGYCFAQAWAC-UHFFFAOYSA-N 0 3 188.230 2.080 10 0 AEAEHN c1coc(CN2CC[C@H]2C2CC2)c1 336215297 352129785 /nfs/dbraw/zinc/12/97/85/352129785.db2.gz IYPMWWXRRDXRJJ-NSHDSACASA-N 0 3 177.247 2.264 10 0 AEAEHN c1coc(CN2CC[C@@H]2C2CC2)c1 336215296 352130036 /nfs/dbraw/zinc/13/00/36/352130036.db2.gz IYPMWWXRRDXRJJ-LLVKDONJSA-N 0 3 177.247 2.264 10 0 AEAEHN c1ccc(CN2CC[C@@H]2C2CC2)nc1 336215319 352130206 /nfs/dbraw/zinc/13/02/06/352130206.db2.gz KMGAWODBZOXORE-GFCCVEGCSA-N 0 3 188.274 2.066 10 0 AEAEHN c1ccc(CN2CC[C@H]2C2CC2)nc1 336215320 352130417 /nfs/dbraw/zinc/13/04/17/352130417.db2.gz KMGAWODBZOXORE-LBPRGKRZSA-N 0 3 188.274 2.066 10 0 AEAEHN C[C@@H]1CN(CCc2cscn2)[C@@H]1C 336265821 352133852 /nfs/dbraw/zinc/13/38/52/352133852.db2.gz VTEQAPGIBBVNFA-RKDXNWHRSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@@H]1CN(CCc2cncs2)[C@@H]1C 336281031 352134190 /nfs/dbraw/zinc/13/41/90/352134190.db2.gz OZHLYKLVLXHIJE-RKDXNWHRSA-N 0 3 196.319 2.026 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCc1ccncc1 336340092 352136453 /nfs/dbraw/zinc/13/64/53/352136453.db2.gz URRWUQWFUFNPSL-GHMZBOCLSA-N 0 3 190.290 2.107 10 0 AEAEHN C[C@@]1(C(N)=O)CCCCN1CC1CC1 336358066 352138554 /nfs/dbraw/zinc/13/85/54/352138554.db2.gz VOCLDZMNYZBOJU-NSHDSACASA-N 0 3 196.294 2.176 10 0 AEAEHN C[C@@H]1CC[C@@H](C)N(Cc2ccno2)C1 336427680 352141464 /nfs/dbraw/zinc/14/14/64/352141464.db2.gz RCGPFAILGIKNGH-NXEZZACHSA-N 0 3 194.278 2.295 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1CCc1cccnc1 336458794 352141846 /nfs/dbraw/zinc/14/18/46/352141846.db2.gz IXAOOWAMGMBGOD-GHMZBOCLSA-N 0 3 190.290 2.107 10 0 AEAEHN C[C@@H]1CN(C2CCCC2)[C@H](C)CO1 336552340 352145679 /nfs/dbraw/zinc/14/56/79/352145679.db2.gz JTTSTISVNKDUOE-NXEZZACHSA-N 0 3 183.295 2.038 10 0 AEAEHN C[C@@H]1COC[C@@H](C)N1C1CCCC1 336626668 352151324 /nfs/dbraw/zinc/15/13/24/352151324.db2.gz IBQQISTZQYSSKQ-NXEZZACHSA-N 0 3 183.295 2.038 10 0 AEAEHN CCC1(NCc2cc(C)no2)CC1 379732075 352153338 /nfs/dbraw/zinc/15/33/38/352153338.db2.gz XAVIQNFNPVTLMP-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN Cc1cc(CNC[C@@H]2CC2(C)C)on1 393661364 352154260 /nfs/dbraw/zinc/15/42/60/352154260.db2.gz UQBQNAZHPIFRRH-VIFPVBQESA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1cc(CNC[C@H]2CC2(C)C)on1 393661363 352154277 /nfs/dbraw/zinc/15/42/77/352154277.db2.gz UQBQNAZHPIFRRH-SECBINFHSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1ccc(F)c2ccnc(CN)c12 521400875 352163695 /nfs/dbraw/zinc/16/36/95/352163695.db2.gz FIBLLNFKJJZUPC-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN CCCOc1cccc(CN)c1F 521401588 352164229 /nfs/dbraw/zinc/16/42/29/352164229.db2.gz LDXADLUCRSHPFV-UHFFFAOYSA-N 0 3 183.226 2.073 10 0 AEAEHN CC(C)Oc1cccc(CN)c1F 521401250 352164242 /nfs/dbraw/zinc/16/42/42/352164242.db2.gz IOMCMMNSSOVEHW-UHFFFAOYSA-N 0 3 183.226 2.072 10 0 AEAEHN Cc1ccc2c(CN)nccc2c1F 521401837 352164666 /nfs/dbraw/zinc/16/46/66/352164666.db2.gz QCKYFRBHXIRKCJ-UHFFFAOYSA-N 0 3 190.221 2.141 10 0 AEAEHN CCCN(C)Cc1ccnc(C)c1 527531745 352165598 /nfs/dbraw/zinc/16/55/98/352165598.db2.gz BLYQNHKCEGSBRW-UHFFFAOYSA-N 0 3 178.279 2.232 10 0 AEAEHN CC[C@@H]1CCN1Cc1ccnc(C)c1 527538284 352166795 /nfs/dbraw/zinc/16/67/95/352166795.db2.gz CPZQFEMWTKTTJJ-GFCCVEGCSA-N 0 3 190.290 2.374 10 0 AEAEHN Cc1cc(CN2[C@@H](C)C[C@H]2C)ccn1 527540673 352166808 /nfs/dbraw/zinc/16/68/08/352166808.db2.gz SVSDAYHOPZSCEJ-PHIMTYICSA-N 0 3 190.290 2.373 10 0 AEAEHN CC[C@H]1CCN1Cc1ccnc(C)c1 527538287 352167224 /nfs/dbraw/zinc/16/72/24/352167224.db2.gz CPZQFEMWTKTTJJ-LBPRGKRZSA-N 0 3 190.290 2.374 10 0 AEAEHN Cc1cc(CN2[C@@H](C)C[C@@H]2C)ccn1 527540675 352167291 /nfs/dbraw/zinc/16/72/91/352167291.db2.gz SVSDAYHOPZSCEJ-QWRGUYRKSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1cc(CN2[C@H](C)C[C@H]2C)ccn1 527540669 352167409 /nfs/dbraw/zinc/16/74/09/352167409.db2.gz SVSDAYHOPZSCEJ-GHMZBOCLSA-N 0 3 190.290 2.373 10 0 AEAEHN Cc1nocc1CNCC1CC=CC1 527745188 352168544 /nfs/dbraw/zinc/16/85/44/352168544.db2.gz OQHBMVKSGPHHNO-UHFFFAOYSA-N 0 3 192.262 2.039 10 0 AEAEHN C[C@@H]1COCCN1CC1CC(C)(C)C1 528479292 352178373 /nfs/dbraw/zinc/17/83/73/352178373.db2.gz WEOKPBFWTHEPHR-SNVBAGLBSA-N 0 3 197.322 2.143 10 0 AEAEHN Cc1cnccc1CN1C[C@H](C)[C@H]1C 528512564 352179369 /nfs/dbraw/zinc/17/93/69/352179369.db2.gz MDGCJQGLCFULLM-WDEREUQCSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1cnccc1CN1C[C@H](C)[C@@H]1C 528512562 352179681 /nfs/dbraw/zinc/17/96/81/352179681.db2.gz MDGCJQGLCFULLM-QWRGUYRKSA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1CN(CC2CC(C)(C)C2)CCO1 528511151 352179706 /nfs/dbraw/zinc/17/97/06/352179706.db2.gz DLGBIDJXLODUBV-JTQLQIEISA-N 0 3 197.322 2.143 10 0 AEAEHN Cc1cnccc1CN1C[C@@H](C)[C@H]1C 528512546 352179739 /nfs/dbraw/zinc/17/97/39/352179739.db2.gz MDGCJQGLCFULLM-GHMZBOCLSA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@@H]1CN(CC2CC(C)(C)C2)CCO1 528511153 352179793 /nfs/dbraw/zinc/17/97/93/352179793.db2.gz DLGBIDJXLODUBV-SNVBAGLBSA-N 0 3 197.322 2.143 10 0 AEAEHN Cc1cnccc1CN1C[C@@H](C)[C@@H]1C 528512559 352179814 /nfs/dbraw/zinc/17/98/14/352179814.db2.gz MDGCJQGLCFULLM-MNOVXSKESA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1COCCN1CC1CC(C)(C)C1 528519796 352179972 /nfs/dbraw/zinc/17/99/72/352179972.db2.gz WEOKPBFWTHEPHR-JTQLQIEISA-N 0 3 197.322 2.143 10 0 AEAEHN Fc1ccccc1CN1CCCC1 575191137 352196327 /nfs/dbraw/zinc/19/63/27/352196327.db2.gz GGVOFPMVOUXMKW-UHFFFAOYSA-N 0 3 178.230 2.235 10 0 AEAEHN Fc1cccc(CN2CCCC2)c1 575191131 352196375 /nfs/dbraw/zinc/19/63/75/352196375.db2.gz FVMSCNRKGHFCAW-UHFFFAOYSA-N 0 3 178.230 2.235 10 0 AEAEHN Cc1ccccc1-c1cc(N)c(N)cn1 575434015 352202210 /nfs/dbraw/zinc/20/22/10/352202210.db2.gz DPGNDFQLXNUFTH-UHFFFAOYSA-N 0 3 199.257 2.221 10 0 AEAEHN Cc1cccc(-c2cc(N)c(N)cn2)c1 575434193 352202249 /nfs/dbraw/zinc/20/22/49/352202249.db2.gz QSLNOIHCSGHBAM-UHFFFAOYSA-N 0 3 199.257 2.221 10 0 AEAEHN N[C@@H](CCF)c1ccc(F)cc1F 575437991 352202658 /nfs/dbraw/zinc/20/26/58/352202658.db2.gz BENDXJPBRNTSQO-VIFPVBQESA-N 0 3 189.180 2.324 10 0 AEAEHN N[C@H](CC(F)F)c1ccccc1F 575437637 352202797 /nfs/dbraw/zinc/20/27/97/352202797.db2.gz LGNJREUBVUWMRX-MRVPVSSYSA-N 0 3 189.180 2.481 10 0 AEAEHN N[C@@H](CC(F)F)c1ccccc1F 575437638 352202997 /nfs/dbraw/zinc/20/29/97/352202997.db2.gz LGNJREUBVUWMRX-QMMMGPOBSA-N 0 3 189.180 2.481 10 0 AEAEHN N[C@H](CCF)c1ccc(F)cc1F 575438708 352203123 /nfs/dbraw/zinc/20/31/23/352203123.db2.gz BENDXJPBRNTSQO-SECBINFHSA-N 0 3 189.180 2.324 10 0 AEAEHN N[C@H](CCF)c1cccc(F)c1F 575439394 352203882 /nfs/dbraw/zinc/20/38/82/352203882.db2.gz INUVUMKXWAVAOD-MRVPVSSYSA-N 0 3 189.180 2.324 10 0 AEAEHN N[C@H](CCF)c1cc(F)ccc1F 575439430 352203904 /nfs/dbraw/zinc/20/39/04/352203904.db2.gz KSZSQAYWFQYQJO-SECBINFHSA-N 0 3 189.180 2.324 10 0 AEAEHN CCOc1ccccc1[C@H](N)CCF 575439896 352203954 /nfs/dbraw/zinc/20/39/54/352203954.db2.gz NVVKSVRQTICRAF-SNVBAGLBSA-N 0 3 197.253 2.445 10 0 AEAEHN COc1ccccc1[C@H](N)CCF 575440294 352204655 /nfs/dbraw/zinc/20/46/55/352204655.db2.gz ZXLHUBKAKIQHSH-SECBINFHSA-N 0 3 183.226 2.055 10 0 AEAEHN N[C@@H](CCF)c1cc(F)ccc1F 575440150 352204669 /nfs/dbraw/zinc/20/46/69/352204669.db2.gz KSZSQAYWFQYQJO-VIFPVBQESA-N 0 3 189.180 2.324 10 0 AEAEHN CCOc1ccccc1[C@@H](N)CCF 575440321 352204764 /nfs/dbraw/zinc/20/47/64/352204764.db2.gz NVVKSVRQTICRAF-JTQLQIEISA-N 0 3 197.253 2.445 10 0 AEAEHN N[C@@H](CCF)c1cccc(F)c1F 575440077 352204827 /nfs/dbraw/zinc/20/48/27/352204827.db2.gz INUVUMKXWAVAOD-QMMMGPOBSA-N 0 3 189.180 2.324 10 0 AEAEHN COc1ccccc1[C@@H](N)CCF 575440503 352204879 /nfs/dbraw/zinc/20/48/79/352204879.db2.gz ZXLHUBKAKIQHSH-VIFPVBQESA-N 0 3 183.226 2.055 10 0 AEAEHN N[C@@H](CCF)c1c(F)cccc1F 575440490 352204856 /nfs/dbraw/zinc/20/48/56/352204856.db2.gz YQYXHRSNKDZDSB-QMMMGPOBSA-N 0 3 189.180 2.324 10 0 AEAEHN N[C@H](CCF)c1c(F)cccc1F 575440278 352204899 /nfs/dbraw/zinc/20/48/99/352204899.db2.gz YQYXHRSNKDZDSB-MRVPVSSYSA-N 0 3 189.180 2.324 10 0 AEAEHN CCO[C@@H](N)Cc1cccc(Cl)c1 575448793 352207409 /nfs/dbraw/zinc/20/74/09/352207409.db2.gz GHLTWIGASSWEQK-SNVBAGLBSA-N 0 3 199.681 2.204 10 0 AEAEHN CCO[C@H](N)Cc1cccc(Cl)c1 575448791 352207446 /nfs/dbraw/zinc/20/74/46/352207446.db2.gz GHLTWIGASSWEQK-JTQLQIEISA-N 0 3 199.681 2.204 10 0 AEAEHN Cc1c(CN)csc1[C@@H]1CCOC1 575450541 352210312 /nfs/dbraw/zinc/21/03/12/352210312.db2.gz FOBHBFGIFMRMOX-MRVPVSSYSA-N 0 3 197.303 2.019 10 0 AEAEHN NC1(c2cccc(Cl)c2)CSC1 575450564 352210434 /nfs/dbraw/zinc/21/04/34/352210434.db2.gz BTKPEDVJDXECDM-UHFFFAOYSA-N 0 3 199.706 2.241 10 0 AEAEHN Cc1c(CN)csc1[C@H]1CCOC1 575450544 352210575 /nfs/dbraw/zinc/21/05/75/352210575.db2.gz FOBHBFGIFMRMOX-QMMMGPOBSA-N 0 3 197.303 2.019 10 0 AEAEHN C/C(=C/Cl)CN[C@H]1C=CCC1 575450950 352211819 /nfs/dbraw/zinc/21/18/19/352211819.db2.gz NYASTRRGNDZZFQ-XZLDQRQTSA-N 0 3 171.671 2.437 10 0 AEAEHN C/C(=C/Cl)CN[C@@H]1C=CCC1 575450949 352212050 /nfs/dbraw/zinc/21/20/50/352212050.db2.gz NYASTRRGNDZZFQ-JGAIRUGNSA-N 0 3 171.671 2.437 10 0 AEAEHN C/C=C/[C@@H](N)c1cnc(C)cc1C 575451217 352213253 /nfs/dbraw/zinc/21/32/53/352213253.db2.gz QXVNDWAIBIKTNI-SGUJLRQBSA-N 0 3 176.263 2.274 10 0 AEAEHN C/C=C/[C@H](N)c1cnc(C)cc1C 575451218 352213516 /nfs/dbraw/zinc/21/35/16/352213516.db2.gz QXVNDWAIBIKTNI-ZWNMCFTASA-N 0 3 176.263 2.274 10 0 AEAEHN c1cc2c(o1)[C@@H](C1CCC1)NCC2 575453132 352218863 /nfs/dbraw/zinc/21/88/63/352218863.db2.gz PBRIDABOAABVFF-SNVBAGLBSA-N 0 3 177.247 2.267 10 0 AEAEHN c1cc2c(o1)[C@H](C1CCC1)NCC2 575453126 352218923 /nfs/dbraw/zinc/21/89/23/352218923.db2.gz PBRIDABOAABVFF-JTQLQIEISA-N 0 3 177.247 2.267 10 0 AEAEHN FC1(F)CC(N[C@H]2C=CCCC2)C1 575453445 352220273 /nfs/dbraw/zinc/22/02/73/352220273.db2.gz CHKJMXLRLBMRDO-QMMMGPOBSA-N 0 3 187.233 2.482 10 0 AEAEHN FC1(F)CC(N[C@@H]2C=CCCC2)C1 575453427 352220596 /nfs/dbraw/zinc/22/05/96/352220596.db2.gz CHKJMXLRLBMRDO-MRVPVSSYSA-N 0 3 187.233 2.482 10 0 AEAEHN C[C@@]1(Cc2cccs2)NCCS1 575454057 352222545 /nfs/dbraw/zinc/22/25/45/352222545.db2.gz PLSNDVONXWBYAB-SECBINFHSA-N 0 3 199.344 2.343 10 0 AEAEHN C[C@]1(Cc2cccs2)NCCS1 575454091 352223492 /nfs/dbraw/zinc/22/34/92/352223492.db2.gz PLSNDVONXWBYAB-VIFPVBQESA-N 0 3 199.344 2.343 10 0 AEAEHN Cc1nc([C@H](N)[C@H]2CC23CC3)cs1 575455511 352226052 /nfs/dbraw/zinc/22/60/52/352226052.db2.gz MCCFZUZRJCFIMW-VXNVDRBHSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1nc([C@@H](N)[C@H]2CC23CC3)cs1 575455506 352226065 /nfs/dbraw/zinc/22/60/65/352226065.db2.gz MCCFZUZRJCFIMW-APPZFPTMSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1nc([C@@H](N)[C@@H]2CC23CC3)cs1 575455509 352226133 /nfs/dbraw/zinc/22/61/33/352226133.db2.gz MCCFZUZRJCFIMW-CBAPKCEASA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1nc([C@H](N)[C@@H]2CC23CC3)cs1 575455510 352226269 /nfs/dbraw/zinc/22/62/69/352226269.db2.gz MCCFZUZRJCFIMW-IONNQARKSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1c(CN)csc1[C@H]1CCCO1 575455556 352226698 /nfs/dbraw/zinc/22/66/98/352226698.db2.gz LAHHCZVGQVJXHY-SECBINFHSA-N 0 3 197.303 2.367 10 0 AEAEHN NCc1ccc(-c2cncs2)s1 575455595 352226971 /nfs/dbraw/zinc/22/69/71/352226971.db2.gz MMMYOLWUSZWRPC-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN Cc1c(CN)csc1[C@@H]1CCCO1 575455564 352227185 /nfs/dbraw/zinc/22/71/85/352227185.db2.gz LAHHCZVGQVJXHY-VIFPVBQESA-N 0 3 197.303 2.367 10 0 AEAEHN CC1CC([C@@H](N)c2ccns2)C1 575456089 352228952 /nfs/dbraw/zinc/22/89/52/352228952.db2.gz AWISCCHZYNNCKK-QXUHLLMWSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1CC([C@H](N)c2ccns2)C1 575456087 352229066 /nfs/dbraw/zinc/22/90/66/352229066.db2.gz AWISCCHZYNNCKK-IEIXJENWSA-N 0 3 182.292 2.189 10 0 AEAEHN Cc1ncoc1-c1ccsc1CN 575456335 352229666 /nfs/dbraw/zinc/22/96/66/352229666.db2.gz RHIMRLOQLFLMLC-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CC(C)(C)[C@@](C)(N)c1cncs1 575458309 352236068 /nfs/dbraw/zinc/23/60/68/352236068.db2.gz PTIZLCVALIQGQH-VIFPVBQESA-N 0 3 184.308 2.363 10 0 AEAEHN CC(C)(C)[C@](C)(N)c1cncs1 575458304 352236432 /nfs/dbraw/zinc/23/64/32/352236432.db2.gz PTIZLCVALIQGQH-SECBINFHSA-N 0 3 184.308 2.363 10 0 AEAEHN CSc1c(CN)ccc(F)c1F 575458676 352237526 /nfs/dbraw/zinc/23/75/26/352237526.db2.gz HFKNBPDSHOPBOJ-UHFFFAOYSA-N 0 3 189.230 2.145 10 0 AEAEHN Cc1ncsc1-c1cc(CN)co1 575458928 352238670 /nfs/dbraw/zinc/23/86/70/352238670.db2.gz GGYQGNDQACUZAY-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN C[C@@H]1OCC[C@H]1c1ccsc1CN 575459345 352240454 /nfs/dbraw/zinc/24/04/54/352240454.db2.gz GCUAJWGZLJKRCC-JGVFFNPUSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@H]1OCC[C@@H]1c1ccsc1CN 575459346 352240525 /nfs/dbraw/zinc/24/05/25/352240525.db2.gz GCUAJWGZLJKRCC-SFYZADRCSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1OCC[C@@H]1c1ccsc1CN 575459347 352240684 /nfs/dbraw/zinc/24/06/84/352240684.db2.gz GCUAJWGZLJKRCC-YUMQZZPRSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@H]1OCC[C@H]1c1ccsc1CN 575459344 352240968 /nfs/dbraw/zinc/24/09/68/352240968.db2.gz GCUAJWGZLJKRCC-HTQZYQBOSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2ccsc2)CO1 575460603 352243681 /nfs/dbraw/zinc/24/36/81/352243681.db2.gz HHYYXXKZKATFPW-SCZZXKLOSA-N 0 3 197.303 2.101 10 0 AEAEHN C[C@H]1CC[C@](N)(c2ccsc2)CO1 575460604 352243783 /nfs/dbraw/zinc/24/37/83/352243783.db2.gz HHYYXXKZKATFPW-WCBMZHEXSA-N 0 3 197.303 2.101 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2ccsc2)CO1 575460607 352244020 /nfs/dbraw/zinc/24/40/20/352244020.db2.gz HHYYXXKZKATFPW-WPRPVWTQSA-N 0 3 197.303 2.101 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2ccsc2)CO1 575460601 352244028 /nfs/dbraw/zinc/24/40/28/352244028.db2.gz HHYYXXKZKATFPW-PSASIEDQSA-N 0 3 197.303 2.101 10 0 AEAEHN CSCc1csc(CN)c1 575460935 352245362 /nfs/dbraw/zinc/24/53/62/352245362.db2.gz MMPMCZWVSVARTN-UHFFFAOYSA-N 0 3 173.306 2.070 10 0 AEAEHN Cc1ncsc1-c1ccoc1CN 575461314 352246589 /nfs/dbraw/zinc/24/65/89/352246589.db2.gz UBDVFGGLWMOWDW-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN COc1ccc([C@]2(N)CC[C@@H]2C)s1 575462747 352252930 /nfs/dbraw/zinc/25/29/30/352252930.db2.gz HESCGEIWVFEPAF-XVKPBYJWSA-N 0 3 197.303 2.341 10 0 AEAEHN COc1ccc([C@@]2(N)CC[C@H]2C)s1 575462744 352252958 /nfs/dbraw/zinc/25/29/58/352252958.db2.gz HESCGEIWVFEPAF-GMSGAONNSA-N 0 3 197.303 2.341 10 0 AEAEHN COc1ccc([C@@]2(N)CC[C@@H]2C)s1 575462745 352253252 /nfs/dbraw/zinc/25/32/52/352253252.db2.gz HESCGEIWVFEPAF-OIBJUYFYSA-N 0 3 197.303 2.341 10 0 AEAEHN COc1ccc([C@]2(N)CC[C@H]2C)s1 575462746 352253297 /nfs/dbraw/zinc/25/32/97/352253297.db2.gz HESCGEIWVFEPAF-XCBNKYQSSA-N 0 3 197.303 2.341 10 0 AEAEHN Cc1nocc1-c1ccsc1CN 575463346 352254281 /nfs/dbraw/zinc/25/42/81/352254281.db2.gz MCTVLEAKPQODRE-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN Cc1cc(Cl)cnc1C(C)(C)N 575464237 352258369 /nfs/dbraw/zinc/25/83/69/352258369.db2.gz UMVDAYLURWSWJH-UHFFFAOYSA-N 0 3 184.670 2.237 10 0 AEAEHN C/C=C/[C@H](N)c1ccc(C)c(C)n1 575464849 352260695 /nfs/dbraw/zinc/26/06/95/352260695.db2.gz XTSJHVJISSYSIR-YEZKRMTDSA-N 0 3 176.263 2.274 10 0 AEAEHN Cc1ncc(-c2ccoc2CN)s1 575464847 352260754 /nfs/dbraw/zinc/26/07/54/352260754.db2.gz XSJPGWMXYALODX-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN C/C=C/[C@@H](N)c1ccc(C)c(C)n1 575464848 352260819 /nfs/dbraw/zinc/26/08/19/352260819.db2.gz XTSJHVJISSYSIR-ORAHPGNNSA-N 0 3 176.263 2.274 10 0 AEAEHN Cc1ncsc1[C@@]1(N)CC[C@H](C)C1 575464942 352260872 /nfs/dbraw/zinc/26/08/72/352260872.db2.gz MNFLVPURLWRPLF-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncsc1[C@]1(N)CC[C@H](C)C1 575464944 352260921 /nfs/dbraw/zinc/26/09/21/352260921.db2.gz MNFLVPURLWRPLF-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncsc1[C@]1(N)CC[C@@H](C)C1 575464943 352260934 /nfs/dbraw/zinc/26/09/34/352260934.db2.gz MNFLVPURLWRPLF-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncsc1[C@@]1(N)CC[C@@H](C)C1 575464941 352260990 /nfs/dbraw/zinc/26/09/90/352260990.db2.gz MNFLVPURLWRPLF-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN NCc1cscc1C1(Cl)CC1 575465225 352262277 /nfs/dbraw/zinc/26/22/77/352262277.db2.gz HEWJEHHBHFTRPO-UHFFFAOYSA-N 0 3 187.695 2.435 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2cccs2)CO1 575465788 352264449 /nfs/dbraw/zinc/26/44/49/352264449.db2.gz RTTJSCTUJHEQCV-SCZZXKLOSA-N 0 3 197.303 2.101 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2cccs2)CO1 575465791 352264456 /nfs/dbraw/zinc/26/44/56/352264456.db2.gz RTTJSCTUJHEQCV-WPRPVWTQSA-N 0 3 197.303 2.101 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2cccs2)CO1 575465786 352264479 /nfs/dbraw/zinc/26/44/79/352264479.db2.gz RTTJSCTUJHEQCV-PSASIEDQSA-N 0 3 197.303 2.101 10 0 AEAEHN C[C@H]1CC[C@](N)(c2cccs2)CO1 575465790 352264563 /nfs/dbraw/zinc/26/45/63/352264563.db2.gz RTTJSCTUJHEQCV-WCBMZHEXSA-N 0 3 197.303 2.101 10 0 AEAEHN Cc1cc(-c2ccsc2CN)on1 575466047 352266273 /nfs/dbraw/zinc/26/62/73/352266273.db2.gz YJKLVYSTKPEMEU-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CC(C)=C[C@@H](N)c1cnc(Cl)n1C 575467731 352272452 /nfs/dbraw/zinc/27/24/52/352272452.db2.gz NSBLDGQTJVNBBJ-SSDOTTSWSA-N 0 3 199.685 2.040 10 0 AEAEHN CC(C)=C[C@H](N)c1cnc(Cl)n1C 575467732 352272650 /nfs/dbraw/zinc/27/26/50/352272650.db2.gz NSBLDGQTJVNBBJ-ZETCQYMHSA-N 0 3 199.685 2.040 10 0 AEAEHN C1=C[C@H](c2cnc(C3CC3)s2)NC1 575468073 352273349 /nfs/dbraw/zinc/27/33/49/352273349.db2.gz HDXCKWLPBKWHHT-MRVPVSSYSA-N 0 3 192.287 2.221 10 0 AEAEHN C1=C[C@@H](c2cnc(C3CC3)s2)NC1 575468074 352273533 /nfs/dbraw/zinc/27/35/33/352273533.db2.gz HDXCKWLPBKWHHT-QMMMGPOBSA-N 0 3 192.287 2.221 10 0 AEAEHN CC1(C)CN[C@H]1c1ccncc1Cl 575468831 352276401 /nfs/dbraw/zinc/27/64/01/352276401.db2.gz OXXAHDYRRYUPKC-VIFPVBQESA-N 0 3 196.681 2.406 10 0 AEAEHN CC1(C)CN[C@@H]1c1ccncc1Cl 575468830 352276520 /nfs/dbraw/zinc/27/65/20/352276520.db2.gz OXXAHDYRRYUPKC-SECBINFHSA-N 0 3 196.681 2.406 10 0 AEAEHN CSCc1ccsc1CN 575469174 352278001 /nfs/dbraw/zinc/27/80/01/352278001.db2.gz FJTCYPXIMDWKTG-UHFFFAOYSA-N 0 3 173.306 2.070 10 0 AEAEHN C(=C1CNC1)c1csc(C2CC2)n1 575469402 352279340 /nfs/dbraw/zinc/27/93/40/352279340.db2.gz QVOUKLZBVGLXIA-UHFFFAOYSA-N 0 3 192.287 2.007 10 0 AEAEHN Cc1cc([C@@H](N)[C@@H]2CC23CC3)sn1 575469684 352280003 /nfs/dbraw/zinc/28/00/03/352280003.db2.gz NREVBULWPUPYLM-CBAPKCEASA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1cc([C@@H](N)[C@H]2CC23CC3)sn1 575469683 352280256 /nfs/dbraw/zinc/28/02/56/352280256.db2.gz NREVBULWPUPYLM-APPZFPTMSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1cc([C@H](N)[C@@H]2CC23CC3)sn1 575469685 352280305 /nfs/dbraw/zinc/28/03/05/352280305.db2.gz NREVBULWPUPYLM-IONNQARKSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1cc([C@H](N)[C@H]2CC23CC3)sn1 575469686 352280352 /nfs/dbraw/zinc/28/03/52/352280352.db2.gz NREVBULWPUPYLM-VXNVDRBHSA-N 0 3 194.303 2.251 10 0 AEAEHN C[C@]1(c2ccsc2CN)CCCO1 575469645 352280435 /nfs/dbraw/zinc/28/04/35/352280435.db2.gz BXPGIVURIIEMQA-SNVBAGLBSA-N 0 3 197.303 2.232 10 0 AEAEHN C[C@@]1(c2ccsc2CN)CCCO1 575469644 352280451 /nfs/dbraw/zinc/28/04/51/352280451.db2.gz BXPGIVURIIEMQA-JTQLQIEISA-N 0 3 197.303 2.232 10 0 AEAEHN C[C@]1(c2ccsc2CN)C[C@@H]1F 575469947 352280776 /nfs/dbraw/zinc/28/07/76/352280776.db2.gz AWBMLPOVCDSPQT-DTWKUNHWSA-N 0 3 185.267 2.206 10 0 AEAEHN C[C@]1(c2ccsc2CN)C[C@H]1F 575469950 352280810 /nfs/dbraw/zinc/28/08/10/352280810.db2.gz AWBMLPOVCDSPQT-RKDXNWHRSA-N 0 3 185.267 2.206 10 0 AEAEHN C[C@@]1(c2ccsc2CN)C[C@@H]1F 575469948 352281033 /nfs/dbraw/zinc/28/10/33/352281033.db2.gz AWBMLPOVCDSPQT-IUCAKERBSA-N 0 3 185.267 2.206 10 0 AEAEHN C[C@@]1(c2ccsc2CN)C[C@H]1F 575469941 352281150 /nfs/dbraw/zinc/28/11/50/352281150.db2.gz AWBMLPOVCDSPQT-BDAKNGLRSA-N 0 3 185.267 2.206 10 0 AEAEHN Cc1ccc([C@@]2(N)CCO[C@@H]2C)s1 575470269 352282211 /nfs/dbraw/zinc/28/22/11/352282211.db2.gz HKWNZTSTPFIHTN-PSASIEDQSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1ccc([C@]2(N)CCO[C@H]2C)s1 575470276 352282240 /nfs/dbraw/zinc/28/22/40/352282240.db2.gz HKWNZTSTPFIHTN-WPRPVWTQSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1ccc([C@]2(N)CCO[C@@H]2C)s1 575470272 352282304 /nfs/dbraw/zinc/28/23/04/352282304.db2.gz HKWNZTSTPFIHTN-SCZZXKLOSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1ccc([C@@]2(N)CCO[C@H]2C)s1 575470273 352282315 /nfs/dbraw/zinc/28/23/15/352282315.db2.gz HKWNZTSTPFIHTN-WCBMZHEXSA-N 0 3 197.303 2.019 10 0 AEAEHN CC(C)(C)[C@](C)(N)c1ccns1 575471966 352288687 /nfs/dbraw/zinc/28/86/87/352288687.db2.gz QDHLHNWITJHNOU-SECBINFHSA-N 0 3 184.308 2.363 10 0 AEAEHN CC(C)(C)[C@@](C)(N)c1cscn1 575471917 352288781 /nfs/dbraw/zinc/28/87/81/352288781.db2.gz VYQIEZFPDKXSHU-VIFPVBQESA-N 0 3 184.308 2.363 10 0 AEAEHN Cc1ncc(-c2cc(CN)co2)s1 575471995 352288844 /nfs/dbraw/zinc/28/88/44/352288844.db2.gz APMBVUNKVPXNIJ-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN CC(C)(C)[C@](C)(N)c1cscn1 575471916 352288906 /nfs/dbraw/zinc/28/89/06/352288906.db2.gz VYQIEZFPDKXSHU-SECBINFHSA-N 0 3 184.308 2.363 10 0 AEAEHN CC(C)(C)[C@@](C)(N)c1ccns1 575471967 352288922 /nfs/dbraw/zinc/28/89/22/352288922.db2.gz QDHLHNWITJHNOU-VIFPVBQESA-N 0 3 184.308 2.363 10 0 AEAEHN CCc1cccc(C2(N)CSC2)c1 575472193 352289605 /nfs/dbraw/zinc/28/96/05/352289605.db2.gz PKDMRXBVYZDEOA-UHFFFAOYSA-N 0 3 193.315 2.150 10 0 AEAEHN Cc1cc([C@](C)(N)C2CC2)sn1 575475414 352292328 /nfs/dbraw/zinc/29/23/28/352292328.db2.gz LHOSGBLKTJVYBE-SECBINFHSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1cc([C@@](C)(N)C2CC2)sn1 575475415 352292344 /nfs/dbraw/zinc/29/23/44/352292344.db2.gz LHOSGBLKTJVYBE-VIFPVBQESA-N 0 3 182.292 2.035 10 0 AEAEHN C1CC[C@@]2(NC3=NCCS3)C[C@H]2C1 575478657 352296567 /nfs/dbraw/zinc/29/65/67/352296567.db2.gz CJUZILHBAGDWMI-PSASIEDQSA-N 0 3 196.319 2.012 10 0 AEAEHN C1CC[C@]2(NC3=NCCS3)C[C@@H]2C1 575478666 352296851 /nfs/dbraw/zinc/29/68/51/352296851.db2.gz CJUZILHBAGDWMI-WPRPVWTQSA-N 0 3 196.319 2.012 10 0 AEAEHN C[C@@H]1CN=C(N[C@@]23CCC[C@@H]2C3)S1 575478863 352297155 /nfs/dbraw/zinc/29/71/55/352297155.db2.gz CSSQTHKMJOQWNB-NQMVMOMDSA-N 0 3 196.319 2.010 10 0 AEAEHN C[C@@H]1CN=C(N[C@]23CCC[C@H]2C3)S1 575478864 352297338 /nfs/dbraw/zinc/29/73/38/352297338.db2.gz CSSQTHKMJOQWNB-WEDXCCLWSA-N 0 3 196.319 2.010 10 0 AEAEHN C[C@@H]1CSC(N[C@]23CCC[C@H]2C3)=N1 575479895 352302413 /nfs/dbraw/zinc/30/24/13/352302413.db2.gz IUVQUERBOQPDFD-WEDXCCLWSA-N 0 3 196.319 2.010 10 0 AEAEHN FC1(F)CC(NC/C=C/Cl)C1 575481280 352310263 /nfs/dbraw/zinc/31/02/63/352310263.db2.gz FHMJEFOKQNOATK-OWOJBTEDSA-N 0 3 181.613 2.126 10 0 AEAEHN Cc1cocc1[C@@H](N)[C@@H]1CC12CC2 575482173 352314682 /nfs/dbraw/zinc/31/46/82/352314682.db2.gz KEPRXWSNUDMYGC-VHSXEESVSA-N 0 3 177.247 2.388 10 0 AEAEHN Cc1cocc1[C@H](N)[C@@H]1CC12CC2 575482171 352314580 /nfs/dbraw/zinc/31/45/80/352314580.db2.gz KEPRXWSNUDMYGC-UWVGGRQHSA-N 0 3 177.247 2.388 10 0 AEAEHN Cc1cocc1[C@H](N)[C@H]1CC12CC2 575482174 352314705 /nfs/dbraw/zinc/31/47/05/352314705.db2.gz KEPRXWSNUDMYGC-ZJUUUORDSA-N 0 3 177.247 2.388 10 0 AEAEHN Cc1cocc1[C@@H](N)[C@H]1CC12CC2 575482168 352314847 /nfs/dbraw/zinc/31/48/47/352314847.db2.gz KEPRXWSNUDMYGC-NXEZZACHSA-N 0 3 177.247 2.388 10 0 AEAEHN C[C@@H](N)c1csc([C@@H]2CC23CC3)n1 575482642 352317010 /nfs/dbraw/zinc/31/70/10/352317010.db2.gz MCHYYYKSASLFGH-RQJHMYQMSA-N 0 3 194.303 2.430 10 0 AEAEHN C[C@H](N)c1csc([C@H]2CC23CC3)n1 575482639 352317040 /nfs/dbraw/zinc/31/70/40/352317040.db2.gz MCHYYYKSASLFGH-NKWVEPMBSA-N 0 3 194.303 2.430 10 0 AEAEHN C[C@@H](N)c1csc([C@H]2CC23CC3)n1 575482640 352317162 /nfs/dbraw/zinc/31/71/62/352317162.db2.gz MCHYYYKSASLFGH-RNFRBKRXSA-N 0 3 194.303 2.430 10 0 AEAEHN C[C@H](N)c1csc([C@@H]2CC23CC3)n1 575482638 352317293 /nfs/dbraw/zinc/31/72/93/352317293.db2.gz MCHYYYKSASLFGH-BQBZGAKWSA-N 0 3 194.303 2.430 10 0 AEAEHN C1CN=C(N[C@]23CCC[C@H]2C3)SC1 575483083 352319468 /nfs/dbraw/zinc/31/94/68/352319468.db2.gz ZNGCMNRJNMRCQM-WPRPVWTQSA-N 0 3 196.319 2.012 10 0 AEAEHN C1CN=C(N[C@@]23CCC[C@@H]2C3)SC1 575483070 352319705 /nfs/dbraw/zinc/31/97/05/352319705.db2.gz ZNGCMNRJNMRCQM-PSASIEDQSA-N 0 3 196.319 2.012 10 0 AEAEHN N[C@H](c1ccco1)[C@H]1CC12CC2 575484437 352327047 /nfs/dbraw/zinc/32/70/47/352327047.db2.gz VHDJFHHNROWJFD-APPZFPTMSA-N 0 3 163.220 2.080 10 0 AEAEHN N[C@@H](c1ccco1)[C@H]1CC12CC2 575484441 352327069 /nfs/dbraw/zinc/32/70/69/352327069.db2.gz VHDJFHHNROWJFD-VXNVDRBHSA-N 0 3 163.220 2.080 10 0 AEAEHN N[C@@H](c1ccco1)[C@@H]1CC12CC2 575484439 352327131 /nfs/dbraw/zinc/32/71/31/352327131.db2.gz VHDJFHHNROWJFD-IONNQARKSA-N 0 3 163.220 2.080 10 0 AEAEHN N[C@H](c1ccco1)[C@@H]1CC12CC2 575484438 352327178 /nfs/dbraw/zinc/32/71/78/352327178.db2.gz VHDJFHHNROWJFD-CBAPKCEASA-N 0 3 163.220 2.080 10 0 AEAEHN C[C@H](N)c1cnc([C@H]2CC23CC3)s1 575485020 352329644 /nfs/dbraw/zinc/32/96/44/352329644.db2.gz XXPJBJHZQNQHTE-NKWVEPMBSA-N 0 3 194.303 2.430 10 0 AEAEHN C[C@@H](N)c1cnc([C@H]2CC23CC3)s1 575485021 352329687 /nfs/dbraw/zinc/32/96/87/352329687.db2.gz XXPJBJHZQNQHTE-RNFRBKRXSA-N 0 3 194.303 2.430 10 0 AEAEHN C[C@H](N)c1cnc([C@@H]2CC23CC3)s1 575485019 352329708 /nfs/dbraw/zinc/32/97/08/352329708.db2.gz XXPJBJHZQNQHTE-BQBZGAKWSA-N 0 3 194.303 2.430 10 0 AEAEHN C[C@@H](N)c1cnc([C@@H]2CC23CC3)s1 575485022 352329922 /nfs/dbraw/zinc/32/99/22/352329922.db2.gz XXPJBJHZQNQHTE-RQJHMYQMSA-N 0 3 194.303 2.430 10 0 AEAEHN Cc1cc([C@H](N)C2CC(C)C2)sn1 575485710 352332144 /nfs/dbraw/zinc/33/21/44/352332144.db2.gz AIPQIPAZVCNTGE-PCWHVXPSSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1cc([C@@H](N)C2CC(C)C2)sn1 575485703 352332313 /nfs/dbraw/zinc/33/23/13/352332313.db2.gz AIPQIPAZVCNTGE-KZKLSOMYSA-N 0 3 196.319 2.497 10 0 AEAEHN CC(C)C(C)(C)Nc1ccncc1 575486136 352335148 /nfs/dbraw/zinc/33/51/48/352335148.db2.gz GAASQHHABZPFHU-UHFFFAOYSA-N 0 3 178.279 2.350 10 0 AEAEHN CC(C)C(C)(C)Nc1nccn1C 575486143 352335179 /nfs/dbraw/zinc/33/51/79/352335179.db2.gz GBCKRLKQEKSEKK-UHFFFAOYSA-N 0 3 181.283 2.267 10 0 AEAEHN C[C@@H]1CN[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)SC1 575486220 352335350 /nfs/dbraw/zinc/33/53/50/352335350.db2.gz AVBXFHIPLZDRFS-NZFPMDFQSA-N 0 3 197.347 2.331 10 0 AEAEHN C[C@@H]1CN[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)SC1 575486219 352335446 /nfs/dbraw/zinc/33/54/46/352335446.db2.gz AVBXFHIPLZDRFS-KAMPLNKDSA-N 0 3 197.347 2.331 10 0 AEAEHN CC1CC([C@@H](N)c2ccsn2)C1 575486298 352335774 /nfs/dbraw/zinc/33/57/74/352335774.db2.gz HUFZLTWJDQWZIR-QXUHLLMWSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1CC[C@@]12NCCc1ccoc12 575486284 352335801 /nfs/dbraw/zinc/33/58/01/352335801.db2.gz HQLBVLUDBCABAN-LDYMZIIASA-N 0 3 177.247 2.051 10 0 AEAEHN C[C@@H]1CC[C@]12NCCc1ccoc12 575486280 352335982 /nfs/dbraw/zinc/33/59/82/352335982.db2.gz HQLBVLUDBCABAN-KCJUWKMLSA-N 0 3 177.247 2.051 10 0 AEAEHN C[C@H]1CC[C@@]12NCCc1ccoc12 575486278 352335951 /nfs/dbraw/zinc/33/59/51/352335951.db2.gz HQLBVLUDBCABAN-GZMMTYOYSA-N 0 3 177.247 2.051 10 0 AEAEHN Cc1ncc([C@@H](N)C2CC(C)C2)s1 575486257 352335986 /nfs/dbraw/zinc/33/59/86/352335986.db2.gz HESFQOYVPWELBC-KZKLSOMYSA-N 0 3 196.319 2.497 10 0 AEAEHN CC1CC([C@H](N)c2ccsn2)C1 575486297 352336021 /nfs/dbraw/zinc/33/60/21/352336021.db2.gz HUFZLTWJDQWZIR-IEIXJENWSA-N 0 3 182.292 2.189 10 0 AEAEHN CC[C@@]1(C)NCCc2ccoc21 575486336 352336122 /nfs/dbraw/zinc/33/61/22/352336122.db2.gz IEEQJXVYFTVWCR-SNVBAGLBSA-N 0 3 165.236 2.051 10 0 AEAEHN C[C@H]1CC[C@]12NCCc1ccoc12 575486281 352336160 /nfs/dbraw/zinc/33/61/60/352336160.db2.gz HQLBVLUDBCABAN-KWQFWETISA-N 0 3 177.247 2.051 10 0 AEAEHN Cc1ncc([C@H](N)C2CC(C)C2)s1 575486258 352336165 /nfs/dbraw/zinc/33/61/65/352336165.db2.gz HESFQOYVPWELBC-PCWHVXPSSA-N 0 3 196.319 2.497 10 0 AEAEHN CC[C@]1(C)NCCc2ccoc21 575486334 352336190 /nfs/dbraw/zinc/33/61/90/352336190.db2.gz IEEQJXVYFTVWCR-JTQLQIEISA-N 0 3 165.236 2.051 10 0 AEAEHN FC[C@@H]1CCC2(CCCC2)CN1 575486479 352336708 /nfs/dbraw/zinc/33/67/08/352336708.db2.gz HEAOPHFBDWXQPD-VIFPVBQESA-N 0 3 171.259 2.268 10 0 AEAEHN FC[C@H]1CCC2(CCCC2)CN1 575486472 352336803 /nfs/dbraw/zinc/33/68/03/352336803.db2.gz HEAOPHFBDWXQPD-SECBINFHSA-N 0 3 171.259 2.268 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)S1 575486701 352338011 /nfs/dbraw/zinc/33/80/11/352338011.db2.gz GOGKJRYQXCDWDA-NZFPMDFQSA-N 0 3 197.347 2.474 10 0 AEAEHN C[C@@H]1CCN[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)S1 575486698 352338080 /nfs/dbraw/zinc/33/80/80/352338080.db2.gz GOGKJRYQXCDWDA-KAMPLNKDSA-N 0 3 197.347 2.474 10 0 AEAEHN Cc1ncsc1[C@@H](N)C1CC(C)C1 575486765 352338901 /nfs/dbraw/zinc/33/89/01/352338901.db2.gz LOICJTOMAXKRKZ-DMBGQZSHSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncsc1[C@H](N)C1CC(C)C1 575486767 352338927 /nfs/dbraw/zinc/33/89/27/352338927.db2.gz LOICJTOMAXKRKZ-KPIFQKDSSA-N 0 3 196.319 2.497 10 0 AEAEHN CC1CC([C@@H](N)c2cncs2)C1 575487044 352340388 /nfs/dbraw/zinc/34/03/88/352340388.db2.gz OBOYJVZDQMFGDN-QXUHLLMWSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1CC([C@H](N)c2cncs2)C1 575487043 352340490 /nfs/dbraw/zinc/34/04/90/352340490.db2.gz OBOYJVZDQMFGDN-IEIXJENWSA-N 0 3 182.292 2.189 10 0 AEAEHN C1CN[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)SC1 575487512 352343252 /nfs/dbraw/zinc/34/32/52/352343252.db2.gz QSLFHAOWBRQWHW-UTINFBMNSA-N 0 3 183.320 2.085 10 0 AEAEHN C1CN[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)SC1 575487506 352343277 /nfs/dbraw/zinc/34/32/77/352343277.db2.gz QSLFHAOWBRQWHW-JXUBOQSCSA-N 0 3 183.320 2.085 10 0 AEAEHN Cc1nc([C@@H](N)C2CC(C)C2)cs1 575487484 352343373 /nfs/dbraw/zinc/34/33/73/352343373.db2.gz TVNDTOHHZPWVOP-KZKLSOMYSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1nc([C@H](N)C2CC(C)C2)cs1 575487485 352343426 /nfs/dbraw/zinc/34/34/26/352343426.db2.gz TVNDTOHHZPWVOP-PCWHVXPSSA-N 0 3 196.319 2.497 10 0 AEAEHN C[C@@H]1CCS[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)N1 575487709 352344443 /nfs/dbraw/zinc/34/44/43/352344443.db2.gz SDLBEIBPUUWZQP-NZFPMDFQSA-N 0 3 197.347 2.474 10 0 AEAEHN C[C@@H]1CCS[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)N1 575487708 352344661 /nfs/dbraw/zinc/34/46/61/352344661.db2.gz SDLBEIBPUUWZQP-KAMPLNKDSA-N 0 3 197.347 2.474 10 0 AEAEHN CC1CC([C@H](N)c2ccco2)C1 575487812 352345257 /nfs/dbraw/zinc/34/52/57/352345257.db2.gz WFOMWLILHAVRBI-KTOWXAHTSA-N 0 3 165.236 2.326 10 0 AEAEHN CC1CC([C@@H](N)c2ccco2)C1 575487818 352345362 /nfs/dbraw/zinc/34/53/62/352345362.db2.gz WFOMWLILHAVRBI-SFVIPPHHSA-N 0 3 165.236 2.326 10 0 AEAEHN CC1CC([C@H](N)c2cscn2)C1 575487973 352346385 /nfs/dbraw/zinc/34/63/85/352346385.db2.gz XMFSBEBKRKEWBR-IEIXJENWSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1CC([C@@H](N)c2cscn2)C1 575487974 352346409 /nfs/dbraw/zinc/34/64/09/352346409.db2.gz XMFSBEBKRKEWBR-QXUHLLMWSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1CC2(C1)NCCc1ccoc12 575488063 352346710 /nfs/dbraw/zinc/34/67/10/352346710.db2.gz YWEOWFDWMZJLCB-UHFFFAOYSA-N 0 3 177.247 2.051 10 0 AEAEHN CC1CC([C@H](N)c2cnsc2)C1 575488042 352346857 /nfs/dbraw/zinc/34/68/57/352346857.db2.gz YVXKSKAYWVGHPA-IEIXJENWSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1CC([C@@H](N)c2cnsc2)C1 575488043 352347092 /nfs/dbraw/zinc/34/70/92/352347092.db2.gz YVXKSKAYWVGHPA-QXUHLLMWSA-N 0 3 182.292 2.189 10 0 AEAEHN C1CN[C@H]([C@@H]2CC[C@@H]3C[C@@H]3C2)SC1 575488303 352348125 /nfs/dbraw/zinc/34/81/25/352348125.db2.gz YCFXLZGETOJYGG-DBIOUOCHSA-N 0 3 197.347 2.475 10 0 AEAEHN C1CN[C@H]([C@@H]2CC[C@H]3C[C@H]3C2)SC1 575488304 352348248 /nfs/dbraw/zinc/34/82/48/352348248.db2.gz YCFXLZGETOJYGG-VLEAKVRGSA-N 0 3 197.347 2.475 10 0 AEAEHN Cc1nc([C@H]2CC23CC3)sc1CN 575488971 352351203 /nfs/dbraw/zinc/35/12/03/352351203.db2.gz ZUUNSYDIVXFZCL-SSDOTTSWSA-N 0 3 194.303 2.178 10 0 AEAEHN Cc1nc([C@@H]2CC23CC3)sc1CN 575488974 352351285 /nfs/dbraw/zinc/35/12/85/352351285.db2.gz ZUUNSYDIVXFZCL-ZETCQYMHSA-N 0 3 194.303 2.178 10 0 AEAEHN CC(C)C(C)(C)N1CCC(=O)CC1 575489356 352353218 /nfs/dbraw/zinc/35/32/18/352353218.db2.gz CMFZZKCEUJCONF-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1ncc([C@H](N)[C@H]2C[C@@H]2C)s1 575490255 352356642 /nfs/dbraw/zinc/35/66/42/352356642.db2.gz BFNIVXPZGFFGKF-XWDQLLGVSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1ncc([C@H](N)[C@@H]2C[C@H]2C)s1 575490254 352356662 /nfs/dbraw/zinc/35/66/62/352356662.db2.gz BFNIVXPZGFFGKF-SLBFFKMLSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1ncc([C@H](N)[C@H]2C[C@H]2C)s1 575490257 352356870 /nfs/dbraw/zinc/35/68/70/352356870.db2.gz BFNIVXPZGFFGKF-XZKCWBSRSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1ncc([C@H](N)[C@@H]2C[C@@H]2C)s1 575490253 352356907 /nfs/dbraw/zinc/35/69/07/352356907.db2.gz BFNIVXPZGFFGKF-MTQIGAJGSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1ncc([C@H](N)C2(C)CC2)s1 575490520 352357981 /nfs/dbraw/zinc/35/79/81/352357981.db2.gz GYRNBQQNPVLVJM-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1ncc([C@@H](N)C2(C)CC2)s1 575490515 352358200 /nfs/dbraw/zinc/35/82/00/352358200.db2.gz GYRNBQQNPVLVJM-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1ncc([C@@H](N)[C@@H]2CC2(C)C)s1 575490816 352358589 /nfs/dbraw/zinc/35/85/89/352358589.db2.gz MIMBQZKKTWCKOW-CBAPKCEASA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncc([C@@H](N)[C@H]2CC2(C)C)s1 575490814 352358715 /nfs/dbraw/zinc/35/87/15/352358715.db2.gz MIMBQZKKTWCKOW-APPZFPTMSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncc([C@H](N)[C@@H]2CC2(C)C)s1 575490817 352358840 /nfs/dbraw/zinc/35/88/40/352358840.db2.gz MIMBQZKKTWCKOW-IONNQARKSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncc([C@H](F)C(C)(C)N)s1 575490880 352359426 /nfs/dbraw/zinc/35/94/26/352359426.db2.gz NRKBOPPSNJWKSB-ZETCQYMHSA-N 0 3 188.271 2.199 10 0 AEAEHN Cc1ncc([C@@H](F)C(C)(C)N)s1 575490878 352359433 /nfs/dbraw/zinc/35/94/33/352359433.db2.gz NRKBOPPSNJWKSB-SSDOTTSWSA-N 0 3 188.271 2.199 10 0 AEAEHN Cc1ncc([C@H](N)[C@H]2CC23CC3)s1 575491424 352361890 /nfs/dbraw/zinc/36/18/90/352361890.db2.gz WAXMFEJHYVTYTB-VXNVDRBHSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1ncc([C@H](N)[C@@H]2CC23CC3)s1 575491423 352361986 /nfs/dbraw/zinc/36/19/86/352361986.db2.gz WAXMFEJHYVTYTB-IONNQARKSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1ncc([C@@H](N)[C@@H]2CC23CC3)s1 575491422 352362050 /nfs/dbraw/zinc/36/20/50/352362050.db2.gz WAXMFEJHYVTYTB-CBAPKCEASA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1ncc([C@@H](N)[C@H]2CC23CC3)s1 575491421 352362101 /nfs/dbraw/zinc/36/21/01/352362101.db2.gz WAXMFEJHYVTYTB-APPZFPTMSA-N 0 3 194.303 2.251 10 0 AEAEHN C[C@@]1(C2CC2)NCCc2ccoc21 575491556 352362812 /nfs/dbraw/zinc/36/28/12/352362812.db2.gz KUAYTGSKNDSBMQ-NSHDSACASA-N 0 3 177.247 2.051 10 0 AEAEHN C[C@]1(C2CC2)NCCc2ccoc21 575491555 352363023 /nfs/dbraw/zinc/36/30/23/352363023.db2.gz KUAYTGSKNDSBMQ-LLVKDONJSA-N 0 3 177.247 2.051 10 0 AEAEHN Cc1ncc([C@]2(N)CC[C@@H](C)C2)s1 575491680 352363581 /nfs/dbraw/zinc/36/35/81/352363581.db2.gz YWBRYJROLFJGGU-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc([C@]2(N)CC[C@H](C)C2)s1 575491681 352363643 /nfs/dbraw/zinc/36/36/43/352363643.db2.gz YWBRYJROLFJGGU-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc([C@@]2(N)CC[C@H](C)C2)s1 575491679 352363852 /nfs/dbraw/zinc/36/38/52/352363852.db2.gz YWBRYJROLFJGGU-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc([C@@]2(N)CC[C@@H](C)C2)s1 575491678 352363901 /nfs/dbraw/zinc/36/39/01/352363901.db2.gz YWBRYJROLFJGGU-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN CCC[C@@]1(C)NCCc2ccoc21 575491793 352364139 /nfs/dbraw/zinc/36/41/39/352364139.db2.gz NREQHOIQVJSQHG-LLVKDONJSA-N 0 3 179.263 2.441 10 0 AEAEHN CCC[C@]1(C)NCCc2ccoc21 575491794 352364260 /nfs/dbraw/zinc/36/42/60/352364260.db2.gz NREQHOIQVJSQHG-NSHDSACASA-N 0 3 179.263 2.441 10 0 AEAEHN CC(C)[C@]1(C)NCCc2ccoc21 575491957 352364922 /nfs/dbraw/zinc/36/49/22/352364922.db2.gz RCBQPTDDMZHOPJ-NSHDSACASA-N 0 3 179.263 2.297 10 0 AEAEHN CCC[C@@H]1NCCc2ccoc21 575491878 352364959 /nfs/dbraw/zinc/36/49/59/352364959.db2.gz PEYFHUQGMQBIHM-VIFPVBQESA-N 0 3 165.236 2.267 10 0 AEAEHN CC(C)[C@@]1(C)NCCc2ccoc21 575491954 352364990 /nfs/dbraw/zinc/36/49/90/352364990.db2.gz RCBQPTDDMZHOPJ-LLVKDONJSA-N 0 3 179.263 2.297 10 0 AEAEHN CCC[C@H]1NCCc2ccoc21 575491875 352365149 /nfs/dbraw/zinc/36/51/49/352365149.db2.gz PEYFHUQGMQBIHM-SECBINFHSA-N 0 3 165.236 2.267 10 0 AEAEHN c1cc2c(o1)C1(CCCC1)NCC2 575492202 352366162 /nfs/dbraw/zinc/36/61/62/352366162.db2.gz WTZCPAJORMIMGF-UHFFFAOYSA-N 0 3 177.247 2.195 10 0 AEAEHN C(CCC1CCC1)=C1CNC1 575494625 352379741 /nfs/dbraw/zinc/37/97/41/352379741.db2.gz ZVIBZWOPZXOHSQ-UHFFFAOYSA-N 0 3 151.253 2.096 10 0 AEAEHN C(=C1CNC1)[C@@H]1CC2CCC1CC2 575495749 352382781 /nfs/dbraw/zinc/38/27/81/352382781.db2.gz AMMWSKLRLQULSA-NHNAUAITSA-N 0 3 177.291 2.342 10 0 AEAEHN C(=C1CNC1)[C@H]1CC2CCC1CC2 575495750 352382791 /nfs/dbraw/zinc/38/27/91/352382791.db2.gz AMMWSKLRLQULSA-QEWOUOOISA-N 0 3 177.291 2.342 10 0 AEAEHN Cc1cc(Cl)cnc1C1(N)CCC1 575496138 352384716 /nfs/dbraw/zinc/38/47/16/352384716.db2.gz KEBBOCQSDVVANM-UHFFFAOYSA-N 0 3 196.681 2.381 10 0 AEAEHN C[C@H]1C[C@H](c2ccsc2CN)CO1 575497105 352388286 /nfs/dbraw/zinc/38/82/86/352388286.db2.gz CWFQVFGTERQDAR-YUMQZZPRSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1C[C@@H](c2ccsc2CN)CO1 575497102 352388349 /nfs/dbraw/zinc/38/83/49/352388349.db2.gz CWFQVFGTERQDAR-HTQZYQBOSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1C[C@H](c2ccsc2CN)CO1 575497104 352388478 /nfs/dbraw/zinc/38/84/78/352388478.db2.gz CWFQVFGTERQDAR-SFYZADRCSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@H]1C[C@@H](c2ccsc2CN)CO1 575497103 352388488 /nfs/dbraw/zinc/38/84/88/352388488.db2.gz CWFQVFGTERQDAR-JGVFFNPUSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1CC[C@@H](c2ccsc2CN)O1 575497725 352390771 /nfs/dbraw/zinc/39/07/71/352390771.db2.gz KFQDZMIPCAMOJO-APPZFPTMSA-N 0 3 197.303 2.447 10 0 AEAEHN C[C@@H]1CC[C@H](c2ccsc2CN)O1 575497728 352390996 /nfs/dbraw/zinc/39/09/96/352390996.db2.gz KFQDZMIPCAMOJO-VXNVDRBHSA-N 0 3 197.303 2.447 10 0 AEAEHN C[C@H]1CC[C@H](c2ccsc2CN)O1 575497727 352391103 /nfs/dbraw/zinc/39/11/03/352391103.db2.gz KFQDZMIPCAMOJO-IONNQARKSA-N 0 3 197.303 2.447 10 0 AEAEHN C[C@H]1CC[C@@H](c2ccsc2CN)O1 575497726 352391289 /nfs/dbraw/zinc/39/12/89/352391289.db2.gz KFQDZMIPCAMOJO-CBAPKCEASA-N 0 3 197.303 2.447 10 0 AEAEHN C[C@H]1CCO[C@H]1c1ccsc1CN 575498023 352393057 /nfs/dbraw/zinc/39/30/57/352393057.db2.gz QZNVRINJEGDMAV-OIBJUYFYSA-N 0 3 197.303 2.304 10 0 AEAEHN C[C@@H]1CCO[C@H]1c1ccsc1CN 575498022 352393080 /nfs/dbraw/zinc/39/30/80/352393080.db2.gz QZNVRINJEGDMAV-GMSGAONNSA-N 0 3 197.303 2.304 10 0 AEAEHN C[C@H]1CCO[C@@H]1c1ccsc1CN 575498025 352393301 /nfs/dbraw/zinc/39/33/01/352393301.db2.gz QZNVRINJEGDMAV-XVKPBYJWSA-N 0 3 197.303 2.304 10 0 AEAEHN NCc1sccc1[C@H]1CCSC1 575498093 352393306 /nfs/dbraw/zinc/39/33/06/352393306.db2.gz RLJLCUCFOZKVDK-ZETCQYMHSA-N 0 3 199.344 2.427 10 0 AEAEHN C[C@@H]1CCO[C@@H]1c1ccsc1CN 575498024 352393333 /nfs/dbraw/zinc/39/33/33/352393333.db2.gz QZNVRINJEGDMAV-XCBNKYQSSA-N 0 3 197.303 2.304 10 0 AEAEHN NCc1sccc1[C@@H]1CCSC1 575498091 352393407 /nfs/dbraw/zinc/39/34/07/352393407.db2.gz RLJLCUCFOZKVDK-SSDOTTSWSA-N 0 3 199.344 2.427 10 0 AEAEHN N[C@@H](c1ccsn1)[C@@H]1C[C@@H]2C[C@@H]2C1 575499897 352403883 /nfs/dbraw/zinc/40/38/83/352403883.db2.gz AXRQVHZOGPNJDC-CHIQAWFVSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@H](c1ccsn1)[C@@H]1C[C@@H]2C[C@@H]2C1 575499901 352403981 /nfs/dbraw/zinc/40/39/81/352403981.db2.gz AXRQVHZOGPNJDC-WHQQTDPMSA-N 0 3 194.303 2.189 10 0 AEAEHN C[C@H]1C[C@H]1c1ccsc1CN 575500079 352405287 /nfs/dbraw/zinc/40/52/87/352405287.db2.gz CMVHFLUVDAHCTC-POYBYMJQSA-N 0 3 167.277 2.330 10 0 AEAEHN C[C@@H]1C[C@@H]1c1ccsc1CN 575500080 352405357 /nfs/dbraw/zinc/40/53/57/352405357.db2.gz CMVHFLUVDAHCTC-SVRRBLITSA-N 0 3 167.277 2.330 10 0 AEAEHN C[C@H]1C[C@@H]1c1ccsc1CN 575500081 352405378 /nfs/dbraw/zinc/40/53/78/352405378.db2.gz CMVHFLUVDAHCTC-XPUUQOCRSA-N 0 3 167.277 2.330 10 0 AEAEHN C[C@@H]1C[C@H]1c1ccsc1CN 575500077 352405648 /nfs/dbraw/zinc/40/56/48/352405648.db2.gz CMVHFLUVDAHCTC-HTRCEHHLSA-N 0 3 167.277 2.330 10 0 AEAEHN NCc1sccc1C1CCC1 575500905 352409464 /nfs/dbraw/zinc/40/94/64/352409464.db2.gz HXNHXUVFGAHFJB-UHFFFAOYSA-N 0 3 167.277 2.474 10 0 AEAEHN NCc1sccc1CC1CC1 575501385 352411993 /nfs/dbraw/zinc/41/19/93/352411993.db2.gz KOOBYNVTZRNART-UHFFFAOYSA-N 0 3 167.277 2.159 10 0 AEAEHN NCc1sccc1[C@H]1CCCCO1 575501631 352413528 /nfs/dbraw/zinc/41/35/28/352413528.db2.gz NPNHTDMILAHESI-SECBINFHSA-N 0 3 197.303 2.448 10 0 AEAEHN NCc1sccc1[C@@H]1CCCCO1 575501634 352413695 /nfs/dbraw/zinc/41/36/95/352413695.db2.gz NPNHTDMILAHESI-VIFPVBQESA-N 0 3 197.303 2.448 10 0 AEAEHN CC1(c2ccsc2CN)CC1 575501996 352414697 /nfs/dbraw/zinc/41/46/97/352414697.db2.gz SKDNODTUOMBYQG-UHFFFAOYSA-N 0 3 167.277 2.258 10 0 AEAEHN NCc1sccc1[C@@H]1CCCOC1 575502313 352416732 /nfs/dbraw/zinc/41/67/32/352416732.db2.gz VRZSNFHJUOYBLS-MRVPVSSYSA-N 0 3 197.303 2.101 10 0 AEAEHN NCc1sccc1[C@H]1CCCOC1 575502314 352416920 /nfs/dbraw/zinc/41/69/20/352416920.db2.gz VRZSNFHJUOYBLS-QMMMGPOBSA-N 0 3 197.303 2.101 10 0 AEAEHN NCc1sccc1[C@H]1CCCO1 575502643 352418186 /nfs/dbraw/zinc/41/81/86/352418186.db2.gz XHZUASFKKIIBRC-MRVPVSSYSA-N 0 3 183.276 2.058 10 0 AEAEHN Cc1cc(-c2ccsc2CN)no1 575502680 352418220 /nfs/dbraw/zinc/41/82/20/352418220.db2.gz XNUAUYNBCHXTJL-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN NCc1sccc1[C@@H]1CCCO1 575502647 352418406 /nfs/dbraw/zinc/41/84/06/352418406.db2.gz XHZUASFKKIIBRC-QMMMGPOBSA-N 0 3 183.276 2.058 10 0 AEAEHN NCc1sccc1C1CCOCC1 575502756 352418899 /nfs/dbraw/zinc/41/88/99/352418899.db2.gz YWMULYCAWBGUSC-UHFFFAOYSA-N 0 3 197.303 2.101 10 0 AEAEHN Cl/C=C/CN[C@@H]1C=CCC1 575503158 352420612 /nfs/dbraw/zinc/42/06/12/352420612.db2.gz DQHLLUDFVGCTCV-GWSCVKMXSA-N 0 3 157.644 2.047 10 0 AEAEHN Cl/C=C/CN[C@H]1C=CCC1 575503159 352421019 /nfs/dbraw/zinc/42/10/19/352421019.db2.gz DQHLLUDFVGCTCV-HFSLJOEWSA-N 0 3 157.644 2.047 10 0 AEAEHN CC(C)c1nc([C@@H]2CCN2)cs1 575504439 352426750 /nfs/dbraw/zinc/42/67/50/352426750.db2.gz ISUUVHYHOWALHG-ZETCQYMHSA-N 0 3 182.292 2.301 10 0 AEAEHN CC(C)c1nc([C@H]2CCN2)cs1 575504435 352426879 /nfs/dbraw/zinc/42/68/79/352426879.db2.gz ISUUVHYHOWALHG-SSDOTTSWSA-N 0 3 182.292 2.301 10 0 AEAEHN CC(C)c1nc([C@]2(N)C[C@H]2C)cs1 575505846 352432221 /nfs/dbraw/zinc/43/22/21/352432221.db2.gz VBFFZHGJILAOLE-XCBNKYQSSA-N 0 3 196.319 2.460 10 0 AEAEHN CC[C@@H]1C[C@]1(N)c1csc(C)n1 575505878 352432167 /nfs/dbraw/zinc/43/21/67/352432167.db2.gz VLFDPTHMGVCAJH-VXNVDRBHSA-N 0 3 182.292 2.035 10 0 AEAEHN CC(C)c1nc([C@@]2(N)C[C@@H]2C)cs1 575505835 352432226 /nfs/dbraw/zinc/43/22/26/352432226.db2.gz VBFFZHGJILAOLE-OIBJUYFYSA-N 0 3 196.319 2.460 10 0 AEAEHN CC(C)c1nc([C@@]2(N)C[C@H]2C)cs1 575505833 352432255 /nfs/dbraw/zinc/43/22/55/352432255.db2.gz VBFFZHGJILAOLE-GMSGAONNSA-N 0 3 196.319 2.460 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1csc(C)n1 575505875 352432333 /nfs/dbraw/zinc/43/23/33/352432333.db2.gz VLFDPTHMGVCAJH-CBAPKCEASA-N 0 3 182.292 2.035 10 0 AEAEHN CC[C@@H]1C[C@@]1(N)c1csc(C)n1 575505873 352432339 /nfs/dbraw/zinc/43/23/39/352432339.db2.gz VLFDPTHMGVCAJH-APPZFPTMSA-N 0 3 182.292 2.035 10 0 AEAEHN CC(C)c1nc([C@]2(N)C[C@@H]2C)cs1 575505849 352432365 /nfs/dbraw/zinc/43/23/65/352432365.db2.gz VBFFZHGJILAOLE-XVKPBYJWSA-N 0 3 196.319 2.460 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1csc(C)n1 575505877 352432556 /nfs/dbraw/zinc/43/25/56/352432556.db2.gz VLFDPTHMGVCAJH-IONNQARKSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1nc([C@]2(N)[C@H]3CCC[C@H]32)cs1 575506080 352433226 /nfs/dbraw/zinc/43/32/26/352433226.db2.gz XIKLTTQZZIJGED-DIYOJNKTSA-N 0 3 194.303 2.035 10 0 AEAEHN NCc1csc2c1CCC1(CC1)C2 575511628 352466843 /nfs/dbraw/zinc/46/68/43/352466843.db2.gz TXPCOAJRICDSHX-UHFFFAOYSA-N 0 3 193.315 2.476 10 0 AEAEHN NC1(C(F)F)CCC2(CC2)CC1 575512989 352476016 /nfs/dbraw/zinc/47/60/16/352476016.db2.gz WNOZGDSYDHAFEE-UHFFFAOYSA-N 0 3 175.222 2.303 10 0 AEAEHN CC[C@](C)(N)c1cnc(C)s1 575513470 352477861 /nfs/dbraw/zinc/47/78/61/352477861.db2.gz SLNVMVVQMGUTPQ-QMMMGPOBSA-N 0 3 170.281 2.035 10 0 AEAEHN Cc1ncsc1[C@](C)(N)C(C)C 575513449 352477711 /nfs/dbraw/zinc/47/77/11/352477711.db2.gz CCHCZSZALQPBLH-SECBINFHSA-N 0 3 184.308 2.281 10 0 AEAEHN CC[C@@](C)(N)c1cnc(C)s1 575513469 352477739 /nfs/dbraw/zinc/47/77/39/352477739.db2.gz SLNVMVVQMGUTPQ-MRVPVSSYSA-N 0 3 170.281 2.035 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@H]1CC12CC2 575513404 352477951 /nfs/dbraw/zinc/47/79/51/352477951.db2.gz AYTHSSMNWFDZLO-HTQZYQBOSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1ncsc1[C@@H](N)[C@@H]1CC12CC2 575513407 352477959 /nfs/dbraw/zinc/47/79/59/352477959.db2.gz AYTHSSMNWFDZLO-YUMQZZPRSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1ncsc1[C@@](C)(N)C(C)C 575513450 352477995 /nfs/dbraw/zinc/47/79/95/352477995.db2.gz CCHCZSZALQPBLH-VIFPVBQESA-N 0 3 184.308 2.281 10 0 AEAEHN Cc1ncsc1[C@@H](N)[C@H]1CC12CC2 575513406 352478065 /nfs/dbraw/zinc/47/80/65/352478065.db2.gz AYTHSSMNWFDZLO-SFYZADRCSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1ncc([C@](C)(N)C(C)C)s1 575513464 352478080 /nfs/dbraw/zinc/47/80/80/352478080.db2.gz RBQNPZHMRMONFK-SECBINFHSA-N 0 3 184.308 2.281 10 0 AEAEHN Cc1ncc([C@@](C)(N)C(C)C)s1 575513466 352478219 /nfs/dbraw/zinc/47/82/19/352478219.db2.gz RBQNPZHMRMONFK-VIFPVBQESA-N 0 3 184.308 2.281 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@@H]1CC12CC2 575513405 352478361 /nfs/dbraw/zinc/47/83/61/352478361.db2.gz AYTHSSMNWFDZLO-JGVFFNPUSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1ncc([C@@](C)(N)C2CC2)s1 575513458 352478394 /nfs/dbraw/zinc/47/83/94/352478394.db2.gz IGMBAOXEVIBYBF-VIFPVBQESA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ncc([C@](C)(N)C2CC2)s1 575513457 352478408 /nfs/dbraw/zinc/47/84/08/352478408.db2.gz IGMBAOXEVIBYBF-SECBINFHSA-N 0 3 182.292 2.035 10 0 AEAEHN C[C@H]1CCN[C@@H](c2cncs2)C1 575513962 352481038 /nfs/dbraw/zinc/48/10/38/352481038.db2.gz CXHZBFUVMSMZIH-JGVFFNPUSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@@H]1CCN[C@H](c2cncs2)C1 575513963 352481216 /nfs/dbraw/zinc/48/12/16/352481216.db2.gz CXHZBFUVMSMZIH-SFYZADRCSA-N 0 3 182.292 2.204 10 0 AEAEHN NCc1cc(-c2cncs2)cs1 575513946 352481360 /nfs/dbraw/zinc/48/13/60/352481360.db2.gz CPIUWPLIFWNNQW-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN Cc1ncsc1[C@@](C)(N)C1CC1 575514000 352481311 /nfs/dbraw/zinc/48/13/11/352481311.db2.gz HOICKNSIEUEZJM-VIFPVBQESA-N 0 3 182.292 2.035 10 0 AEAEHN C[C@H]1CCN[C@H](c2cncs2)C1 575513964 352481401 /nfs/dbraw/zinc/48/14/01/352481401.db2.gz CXHZBFUVMSMZIH-YUMQZZPRSA-N 0 3 182.292 2.204 10 0 AEAEHN C[C@@H]1CCN[C@@H](c2cncs2)C1 575513961 352481445 /nfs/dbraw/zinc/48/14/45/352481445.db2.gz CXHZBFUVMSMZIH-HTQZYQBOSA-N 0 3 182.292 2.204 10 0 AEAEHN Cc1ncsc1[C@](C)(N)C1CC1 575513999 352481554 /nfs/dbraw/zinc/48/15/54/352481554.db2.gz HOICKNSIEUEZJM-SECBINFHSA-N 0 3 182.292 2.035 10 0 AEAEHN CCCc1ccsc1CN 575514121 352481978 /nfs/dbraw/zinc/48/19/78/352481978.db2.gz SOWALXKVXVPYPV-UHFFFAOYSA-N 0 3 155.266 2.159 10 0 AEAEHN NCc1csc(-c2cncs2)c1 575514260 352482824 /nfs/dbraw/zinc/48/28/24/352482824.db2.gz GVWYBEMZEVSCJL-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN CC[C@](C)(N)c1scnc1C 575514286 352483607 /nfs/dbraw/zinc/48/36/07/352483607.db2.gz IUWMJMYNYPPPDW-QMMMGPOBSA-N 0 3 170.281 2.035 10 0 AEAEHN CC[C@@](C)(N)c1scnc1C 575514284 352483664 /nfs/dbraw/zinc/48/36/64/352483664.db2.gz IUWMJMYNYPPPDW-MRVPVSSYSA-N 0 3 170.281 2.035 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@H]1CC1(C)C 575514568 352484334 /nfs/dbraw/zinc/48/43/34/352484334.db2.gz KWOKQERSCJTNIP-HTQZYQBOSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@@H]1CC1(C)C 575514569 352484463 /nfs/dbraw/zinc/48/44/63/352484463.db2.gz KWOKQERSCJTNIP-JGVFFNPUSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncsc1[C@@H](N)[C@@H]1CC1(C)C 575514577 352484475 /nfs/dbraw/zinc/48/44/75/352484475.db2.gz KWOKQERSCJTNIP-YUMQZZPRSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncsc1[C@H](F)C(C)(C)N 575514529 352484494 /nfs/dbraw/zinc/48/44/94/352484494.db2.gz IMSIJHJJJMZFET-ZETCQYMHSA-N 0 3 188.271 2.199 10 0 AEAEHN Cc1ncsc1[C@@H](N)[C@H]1CC1(C)C 575514575 352484547 /nfs/dbraw/zinc/48/45/47/352484547.db2.gz KWOKQERSCJTNIP-SFYZADRCSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncsc1[C@@H](F)C(C)(C)N 575514515 352484675 /nfs/dbraw/zinc/48/46/75/352484675.db2.gz IMSIJHJJJMZFET-SSDOTTSWSA-N 0 3 188.271 2.199 10 0 AEAEHN CCC(N)(CC)c1cncs1 575515139 352487397 /nfs/dbraw/zinc/48/73/97/352487397.db2.gz OPWXMQJXRIEJAE-UHFFFAOYSA-N 0 3 170.281 2.117 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@H]1C[C@H]1C 575515385 352488959 /nfs/dbraw/zinc/48/89/59/352488959.db2.gz QYNRHFMRNXYESF-MHSYXAOVSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@@H]1C[C@@H]1C 575515386 352489172 /nfs/dbraw/zinc/48/91/72/352489172.db2.gz QYNRHFMRNXYESF-UIISKDMLSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@@H]1C[C@H]1C 575515383 352489184 /nfs/dbraw/zinc/48/91/84/352489184.db2.gz QYNRHFMRNXYESF-LPBLVHEISA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@H]1C[C@@H]1C 575515381 352489277 /nfs/dbraw/zinc/48/92/77/352489277.db2.gz QYNRHFMRNXYESF-APQOSEDMSA-N 0 3 182.292 2.107 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2cncs2)C1 575515657 352489643 /nfs/dbraw/zinc/48/96/43/352489643.db2.gz RRPVWDSKZKFYFU-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CC[C@](N)(c2cncs2)C1 575515655 352489800 /nfs/dbraw/zinc/48/98/00/352489800.db2.gz RRPVWDSKZKFYFU-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN NCc1sccc1-c1cncs1 575515621 352489811 /nfs/dbraw/zinc/48/98/11/352489811.db2.gz RJJYYLHUPXAARL-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2cncs2)C1 575515653 352489924 /nfs/dbraw/zinc/48/99/24/352489924.db2.gz RRPVWDSKZKFYFU-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2cncs2)C1 575515651 352490011 /nfs/dbraw/zinc/49/00/11/352490011.db2.gz RRPVWDSKZKFYFU-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H](N)c1cncs1 575515746 352490282 /nfs/dbraw/zinc/49/02/82/352490282.db2.gz STJKCWHUJRPHMT-HTRCEHHLSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@H](N)c1cncs1 575515749 352490315 /nfs/dbraw/zinc/49/03/15/352490315.db2.gz STJKCWHUJRPHMT-XPUUQOCRSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@@H]1[C@H](N)c1cncs1 575515748 352490326 /nfs/dbraw/zinc/49/03/26/352490326.db2.gz STJKCWHUJRPHMT-SVRRBLITSA-N 0 3 182.292 2.189 10 0 AEAEHN CC1(C)C[C@H]1[C@@H](N)c1cncs1 575515747 352490472 /nfs/dbraw/zinc/49/04/72/352490472.db2.gz STJKCWHUJRPHMT-POYBYMJQSA-N 0 3 182.292 2.189 10 0 AEAEHN Cc1ncsc1[C@@H](N)C1(C)CC1 575516293 352493683 /nfs/dbraw/zinc/49/36/83/352493683.db2.gz YUURBTNVAGGZLE-MRVPVSSYSA-N 0 3 182.292 2.251 10 0 AEAEHN Cc1ncsc1[C@H](N)C1(C)CC1 575516294 352493715 /nfs/dbraw/zinc/49/37/15/352493715.db2.gz YUURBTNVAGGZLE-QMMMGPOBSA-N 0 3 182.292 2.251 10 0 AEAEHN C[C@]1(C2CC2)NCCc2occc21 575516846 352494593 /nfs/dbraw/zinc/49/45/93/352494593.db2.gz ADMRCJIRYNBGMM-LLVKDONJSA-N 0 3 177.247 2.051 10 0 AEAEHN c1cc2c(o1)CCN[C@@H]2C1CCC1 575516920 352494731 /nfs/dbraw/zinc/49/47/31/352494731.db2.gz AYQYONRSSXDLIE-LLVKDONJSA-N 0 3 177.247 2.267 10 0 AEAEHN c1cc2c(o1)CCN[C@H]2C1CCC1 575516922 352494876 /nfs/dbraw/zinc/49/48/76/352494876.db2.gz AYQYONRSSXDLIE-NSHDSACASA-N 0 3 177.247 2.267 10 0 AEAEHN C[C@@]1(C2CC2)NCCc2occc21 575516850 352494946 /nfs/dbraw/zinc/49/49/46/352494946.db2.gz ADMRCJIRYNBGMM-NSHDSACASA-N 0 3 177.247 2.051 10 0 AEAEHN CCC[C@]1(C)NCCc2occc21 575516999 352495363 /nfs/dbraw/zinc/49/53/63/352495363.db2.gz BYHPDTUFRBVVHY-NSHDSACASA-N 0 3 179.263 2.441 10 0 AEAEHN C[C@H]1CC[C@]12NCCc1occc12 575517219 352496088 /nfs/dbraw/zinc/49/60/88/352496088.db2.gz COEBWDNWYWQHSN-KWQFWETISA-N 0 3 177.247 2.051 10 0 AEAEHN C[C@@H]1CC[C@]12NCCc1occc12 575517218 352496131 /nfs/dbraw/zinc/49/61/31/352496131.db2.gz COEBWDNWYWQHSN-KCJUWKMLSA-N 0 3 177.247 2.051 10 0 AEAEHN C[C@@H]1CC[C@@]12NCCc1occc12 575517220 352496182 /nfs/dbraw/zinc/49/61/82/352496182.db2.gz COEBWDNWYWQHSN-LDYMZIIASA-N 0 3 177.247 2.051 10 0 AEAEHN C[C@H]1CC[C@@]12NCCc1occc12 575517217 352496288 /nfs/dbraw/zinc/49/62/88/352496288.db2.gz COEBWDNWYWQHSN-GZMMTYOYSA-N 0 3 177.247 2.051 10 0 AEAEHN CC(C)[C@@]1(C)NCCc2occc21 575517374 352496611 /nfs/dbraw/zinc/49/66/11/352496611.db2.gz DZZDOPFAILTNMA-LLVKDONJSA-N 0 3 179.263 2.297 10 0 AEAEHN N[C@@H](c1cncs1)[C@H]1C[C@@H]2C[C@@H]2C1 575517288 352496626 /nfs/dbraw/zinc/49/66/26/352496626.db2.gz DLBZRLKOTXDWSW-IBCQBUCCSA-N 0 3 194.303 2.189 10 0 AEAEHN CC(C)[C@]1(C)NCCc2occc21 575517377 352496891 /nfs/dbraw/zinc/49/68/91/352496891.db2.gz DZZDOPFAILTNMA-NSHDSACASA-N 0 3 179.263 2.297 10 0 AEAEHN N[C@H](c1cncs1)[C@H]1C[C@@H]2C[C@@H]2C1 575517291 352496921 /nfs/dbraw/zinc/49/69/21/352496921.db2.gz DLBZRLKOTXDWSW-ODHVRURNSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@H](c1cncs1)[C@]12CCC[C@H]1C2 575518169 352500514 /nfs/dbraw/zinc/50/05/14/352500514.db2.gz MEJJPDRLKBCZBB-SFGNSQDASA-N 0 3 194.303 2.333 10 0 AEAEHN CCC1(CC)NCCc2occc21 575518157 352500546 /nfs/dbraw/zinc/50/05/46/352500546.db2.gz LXBXCFKGNIBXCL-UHFFFAOYSA-N 0 3 179.263 2.441 10 0 AEAEHN N[C@H](c1cncs1)[C@@]12CCC[C@@H]1C2 575518313 352501519 /nfs/dbraw/zinc/50/15/19/352501519.db2.gz MEJJPDRLKBCZBB-SZEHBUNVSA-N 0 3 194.303 2.333 10 0 AEAEHN CC1CC2(C1)NCCc1occc12 575518345 352501600 /nfs/dbraw/zinc/50/16/00/352501600.db2.gz NILZWSLXNORYJW-UHFFFAOYSA-N 0 3 177.247 2.051 10 0 AEAEHN N[C@H](c1cncs1)[C@@H]1[C@H]2CCC[C@H]21 575518393 352502288 /nfs/dbraw/zinc/50/22/88/352502288.db2.gz OCLUOGQCKWHHKG-GOZTYBTRSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1cncs1)[C@@H]1[C@H]2CCC[C@H]21 575518397 352502432 /nfs/dbraw/zinc/50/24/32/352502432.db2.gz OCLUOGQCKWHHKG-WDQPUEAGSA-N 0 3 194.303 2.189 10 0 AEAEHN CCC(C)(C)CC=C1CNC1 575519002 352504729 /nfs/dbraw/zinc/50/47/29/352504729.db2.gz YCVHFJNNQRDULF-UHFFFAOYSA-N 0 3 153.269 2.342 10 0 AEAEHN NC1(C(F)F)CCC(F)(F)CC1 575520509 352512334 /nfs/dbraw/zinc/51/23/34/352512334.db2.gz QDBWGEBCROIOOW-UHFFFAOYSA-N 0 3 185.164 2.158 10 0 AEAEHN N[C@H](c1cncs1)[C@@H]1C[C@@H]2C[C@@H]2C1 575520624 352512983 /nfs/dbraw/zinc/51/29/83/352512983.db2.gz DLBZRLKOTXDWSW-WHQQTDPMSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1cncs1)[C@@H]1C[C@@H]2C[C@@H]2C1 575520623 352513219 /nfs/dbraw/zinc/51/32/19/352513219.db2.gz DLBZRLKOTXDWSW-CHIQAWFVSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1cscn1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521035 352514671 /nfs/dbraw/zinc/51/46/71/352514671.db2.gz MKFGKVVIWHKCEK-CHIQAWFVSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@H](c1cscn1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521036 352514765 /nfs/dbraw/zinc/51/47/65/352514765.db2.gz MKFGKVVIWHKCEK-WHQQTDPMSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1cnsc1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521435 352517300 /nfs/dbraw/zinc/51/73/00/352517300.db2.gz VQCUROWOYRBMJM-CHIQAWFVSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@H](c1cnsc1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521436 352517320 /nfs/dbraw/zinc/51/73/20/352517320.db2.gz VQCUROWOYRBMJM-WHQQTDPMSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1ccns1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521433 352517334 /nfs/dbraw/zinc/51/73/34/352517334.db2.gz VOLWMUVVJCCXRW-CHIQAWFVSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@H](c1ccns1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521434 352517455 /nfs/dbraw/zinc/51/74/55/352517455.db2.gz VOLWMUVVJCCXRW-WHQQTDPMSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1ccco1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521985 352519808 /nfs/dbraw/zinc/51/98/08/352519808.db2.gz WSJCWWIWRBXTDQ-UYAYMFIHSA-N 0 3 177.247 2.326 10 0 AEAEHN N[C@H](c1ccco1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521984 352519905 /nfs/dbraw/zinc/51/99/05/352519905.db2.gz WSJCWWIWRBXTDQ-SJQPAMGKSA-N 0 3 177.247 2.326 10 0 AEAEHN C1CCC2(C1)CC[C@@]21NCCS1 575523351 352525336 /nfs/dbraw/zinc/52/53/36/352525336.db2.gz QFTTXFJQCPLMIR-JTQLQIEISA-N 0 3 183.320 2.373 10 0 AEAEHN C1CCC2(C1)CC[C@]21NCCS1 575523352 352525470 /nfs/dbraw/zinc/52/54/70/352525470.db2.gz QFTTXFJQCPLMIR-SNVBAGLBSA-N 0 3 183.320 2.373 10 0 AEAEHN NC[C@H](F)Cc1ccsc1Cl 575523452 352525934 /nfs/dbraw/zinc/52/59/34/352525934.db2.gz KSQNGIKYVKNSLP-ZCFIWIBFSA-N 0 3 193.674 2.241 10 0 AEAEHN NC[C@@H](F)Cc1ccsc1Cl 575523440 352525995 /nfs/dbraw/zinc/52/59/95/352525995.db2.gz KSQNGIKYVKNSLP-LURJTMIESA-N 0 3 193.674 2.241 10 0 AEAEHN CC(F)(F)C(C)(C)C=C1CNC1 575524124 352528730 /nfs/dbraw/zinc/52/87/30/352528730.db2.gz AMMOCWCNUPCAKE-UHFFFAOYSA-N 0 3 175.222 2.197 10 0 AEAEHN Cc1nc([C@@](C)(N)C2CC2)cs1 575524206 352528871 /nfs/dbraw/zinc/52/88/71/352528871.db2.gz BKBKLKGUJHODMX-VIFPVBQESA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1nc([C@](C)(N)C2CC2)cs1 575524204 352528967 /nfs/dbraw/zinc/52/89/67/352528967.db2.gz BKBKLKGUJHODMX-SECBINFHSA-N 0 3 182.292 2.035 10 0 AEAEHN C[C@]1(Cc2ccsc2)NCCS1 575524740 352531276 /nfs/dbraw/zinc/53/12/76/352531276.db2.gz RPJYLRHCDDHKDB-VIFPVBQESA-N 0 3 199.344 2.343 10 0 AEAEHN C[C@@]1(Cc2ccsc2)NCCS1 575524738 352531416 /nfs/dbraw/zinc/53/14/16/352531416.db2.gz RPJYLRHCDDHKDB-SECBINFHSA-N 0 3 199.344 2.343 10 0 AEAEHN C[C@H]1CN=C(NC2(C3CC3)CC2)S1 575525231 352533426 /nfs/dbraw/zinc/53/34/26/352533426.db2.gz CWBIPGIGDXFLMK-ZETCQYMHSA-N 0 3 196.319 2.010 10 0 AEAEHN C1CC2(C1)CC(NC1=NCCS1)C2 575525197 352533541 /nfs/dbraw/zinc/53/35/41/352533541.db2.gz CIDUKWJYLXIZCN-UHFFFAOYSA-N 0 3 196.319 2.012 10 0 AEAEHN C[C@@H]1CN=C(NC2(C3CC3)CC2)S1 575525230 352533655 /nfs/dbraw/zinc/53/36/55/352533655.db2.gz CWBIPGIGDXFLMK-SSDOTTSWSA-N 0 3 196.319 2.010 10 0 AEAEHN C[C@H]1CSC(NC2(C3CC3)CC2)=N1 575525787 352536897 /nfs/dbraw/zinc/53/68/97/352536897.db2.gz KLGLHHZIQMOYGE-ZETCQYMHSA-N 0 3 196.319 2.010 10 0 AEAEHN C[C@@H]1CSC(NC2(C3CC3)CC2)=N1 575525786 352537197 /nfs/dbraw/zinc/53/71/97/352537197.db2.gz KLGLHHZIQMOYGE-SSDOTTSWSA-N 0 3 196.319 2.010 10 0 AEAEHN C1CC(C2(NC3=NCCS3)CC2)C1 575526523 352540384 /nfs/dbraw/zinc/54/03/84/352540384.db2.gz UVHBLWUIIXICIA-UHFFFAOYSA-N 0 3 196.319 2.012 10 0 AEAEHN C1CN=C(NC2(C3CC3)CC2)SC1 575526675 352541117 /nfs/dbraw/zinc/54/11/17/352541117.db2.gz WCJLCONMOXXYHW-UHFFFAOYSA-N 0 3 196.319 2.012 10 0 AEAEHN Clc1sccc1C=C1CNC1 575526820 352541714 /nfs/dbraw/zinc/54/17/14/352541714.db2.gz YKOVJBAAPAWAGM-UHFFFAOYSA-N 0 3 185.679 2.388 10 0 AEAEHN N[C@H](c1ccc[nH]1)[C@@]12CCC[C@@H]1C2 575530264 352555334 /nfs/dbraw/zinc/55/53/34/352555334.db2.gz CNGSTLLSEYKVBE-FBIMIBRVSA-N 0 3 176.263 2.205 10 0 AEAEHN N[C@H](c1ccc[nH]1)[C@]12CCC[C@H]1C2 575530468 352556561 /nfs/dbraw/zinc/55/65/61/352556561.db2.gz CNGSTLLSEYKVBE-GDPRMGEGSA-N 0 3 176.263 2.205 10 0 AEAEHN NCc1cc2cscc2s1 575530826 352557826 /nfs/dbraw/zinc/55/78/26/352557826.db2.gz IAUFQTHXHLNHMH-UHFFFAOYSA-N 0 3 169.274 2.422 10 0 AEAEHN N[C@H](c1cnsc1)[C@]12CCC[C@H]1C2 575530870 352558515 /nfs/dbraw/zinc/55/85/15/352558515.db2.gz FQHBMYVYNAMCQZ-AEJSXWLSSA-N 0 3 194.303 2.333 10 0 AEAEHN N[C@H](c1cnsc1)[C@@]12CCC[C@@H]1C2 575530883 352558652 /nfs/dbraw/zinc/55/86/52/352558652.db2.gz FQHBMYVYNAMCQZ-OPRDCNLKSA-N 0 3 194.303 2.333 10 0 AEAEHN N[C@H](c1ccns1)[C@]12CCC[C@H]1C2 575531128 352559537 /nfs/dbraw/zinc/55/95/37/352559537.db2.gz HAVXUIDVHMDOBB-SFGNSQDASA-N 0 3 194.303 2.333 10 0 AEAEHN N[C@H](c1ccns1)[C@@]12CCC[C@@H]1C2 575531130 352559818 /nfs/dbraw/zinc/55/98/18/352559818.db2.gz HAVXUIDVHMDOBB-SZEHBUNVSA-N 0 3 194.303 2.333 10 0 AEAEHN N[C@H](c1ccoc1)[C@@]12CCC[C@@H]1C2 575533316 352570329 /nfs/dbraw/zinc/57/03/29/352570329.db2.gz RGVKCIVZTQYIQS-GMTAPVOTSA-N 0 3 177.247 2.470 10 0 AEAEHN N[C@H](c1ccoc1)[C@]12CCC[C@H]1C2 575533304 352570593 /nfs/dbraw/zinc/57/05/93/352570593.db2.gz RGVKCIVZTQYIQS-AXFHLTTASA-N 0 3 177.247 2.470 10 0 AEAEHN N[C@H](c1ccsn1)[C@]12CCC[C@H]1C2 575533833 352573018 /nfs/dbraw/zinc/57/30/18/352573018.db2.gz UNJBIXILNWDULW-SFGNSQDASA-N 0 3 194.303 2.333 10 0 AEAEHN N[C@H](c1ccsn1)[C@@]12CCC[C@@H]1C2 575533834 352573149 /nfs/dbraw/zinc/57/31/49/352573149.db2.gz UNJBIXILNWDULW-SZEHBUNVSA-N 0 3 194.303 2.333 10 0 AEAEHN N[C@H](c1cscn1)[C@@]12CCC[C@@H]1C2 575534844 352576507 /nfs/dbraw/zinc/57/65/07/352576507.db2.gz YVVSUSHGHYVPMB-SZEHBUNVSA-N 0 3 194.303 2.333 10 0 AEAEHN N[C@H](c1cscn1)[C@]12CCC[C@H]1C2 575534843 352576586 /nfs/dbraw/zinc/57/65/86/352576586.db2.gz YVVSUSHGHYVPMB-SFGNSQDASA-N 0 3 194.303 2.333 10 0 AEAEHN CCCc1cccc2c1OC[C@H]2N 575536672 352585131 /nfs/dbraw/zinc/58/51/31/352585131.db2.gz DCAIYSBDRCPJER-SNVBAGLBSA-N 0 3 177.247 2.031 10 0 AEAEHN CCCc1cccc2c1OC[C@@H]2N 575536671 352585307 /nfs/dbraw/zinc/58/53/07/352585307.db2.gz DCAIYSBDRCPJER-JTQLQIEISA-N 0 3 177.247 2.031 10 0 AEAEHN Cc1nc([C@H](N)C(C)(C)C)[nH]c1C 575537396 352589996 /nfs/dbraw/zinc/58/99/96/352589996.db2.gz HTTSEDHFZUXNOM-QMMMGPOBSA-N 0 3 181.283 2.072 10 0 AEAEHN N[C@]1(c2nccs2)CCCC12CC2 575537513 352590099 /nfs/dbraw/zinc/59/00/99/352590099.db2.gz GDGDUHLMLHXGTC-JTQLQIEISA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@@]1(c2nccs2)CCCC12CC2 575537515 352590311 /nfs/dbraw/zinc/59/03/11/352590311.db2.gz GDGDUHLMLHXGTC-SNVBAGLBSA-N 0 3 194.303 2.261 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@H]1NCCc2occc21 575538879 352595950 /nfs/dbraw/zinc/59/59/50/352595950.db2.gz QLWRYMPQUSXAQF-HDBBIHSSSA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@@H]1C[C@H]1[C@@H]1NCCc2occc21 575538812 352596176 /nfs/dbraw/zinc/59/61/76/352596176.db2.gz QLWRYMPQUSXAQF-BCMRRPTOSA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@@H]1C[C@H]1[C@H]1NCCc2occc21 575538884 352596189 /nfs/dbraw/zinc/59/61/89/352596189.db2.gz QLWRYMPQUSXAQF-ZOFUNIGCSA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@@H]1NCCc2occc21 575538882 352596399 /nfs/dbraw/zinc/59/63/99/352596399.db2.gz QLWRYMPQUSXAQF-POZPLHJXSA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@@H]1C[C@H]1[C@H]1NCCc2ccoc21 575539416 352599143 /nfs/dbraw/zinc/59/91/43/352599143.db2.gz WFHVJASMECTALN-SZEHBUNVSA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@H]1NCCc2ccoc21 575539412 352599263 /nfs/dbraw/zinc/59/92/63/352599263.db2.gz WFHVJASMECTALN-FKTZTGRPSA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@@H]1C[C@@H]1[C@@H]1NCCc2ccoc21 575539413 352599351 /nfs/dbraw/zinc/59/93/51/352599351.db2.gz WFHVJASMECTALN-JEZHCXPESA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@@H]1C[C@H]1[C@@H]1NCCc2ccoc21 575539415 352599375 /nfs/dbraw/zinc/59/93/75/352599375.db2.gz WFHVJASMECTALN-QNSHHTMESA-N 0 3 177.247 2.122 10 0 AEAEHN C[C@H]1CC/C(=C\Br)CN1 575543830 352616122 /nfs/dbraw/zinc/61/61/22/352616122.db2.gz AYDYEGPQVCGHDP-PDKRUMACSA-N 0 3 190.084 2.037 10 0 AEAEHN C[C@H]1CC/C(=C/Br)CN1 575543827 352616165 /nfs/dbraw/zinc/61/61/65/352616165.db2.gz AYDYEGPQVCGHDP-BBEKVSQQSA-N 0 3 190.084 2.037 10 0 AEAEHN C[C@@H]1CC/C(=C/Br)CN1 575543828 352616172 /nfs/dbraw/zinc/61/61/72/352616172.db2.gz AYDYEGPQVCGHDP-CDXJMXTPSA-N 0 3 190.084 2.037 10 0 AEAEHN C[C@@H]1CC/C(=C\Br)CN1 575543829 352616221 /nfs/dbraw/zinc/61/62/21/352616221.db2.gz AYDYEGPQVCGHDP-LTYDNXFVSA-N 0 3 190.084 2.037 10 0 AEAEHN C[C@@H](Nc1nccn1C)C1(C)CC1 575543880 352616830 /nfs/dbraw/zinc/61/68/30/352616830.db2.gz BPYOUZIHPIQURM-MRVPVSSYSA-N 0 3 179.267 2.021 10 0 AEAEHN C[C@H](Nc1nccn1C)C1(C)CC1 575543881 352616933 /nfs/dbraw/zinc/61/69/33/352616933.db2.gz BPYOUZIHPIQURM-QMMMGPOBSA-N 0 3 179.267 2.021 10 0 AEAEHN NCc1csc([C@H]2C[C@@H]3C[C@@H]3C2)n1 575544240 352617344 /nfs/dbraw/zinc/61/73/44/352617344.db2.gz GMPSIQHZRLZFMK-RNLVFQAGSA-N 0 3 194.303 2.115 10 0 AEAEHN C/C=C/[C@H](N)c1cncc(Cl)c1 575544421 352618163 /nfs/dbraw/zinc/61/81/63/352618163.db2.gz FWFYZYCCSHQABA-HPOULIHZSA-N 0 3 182.654 2.311 10 0 AEAEHN C/C=C/[C@@H](N)c1cncc(Cl)c1 575544420 352618190 /nfs/dbraw/zinc/61/81/90/352618190.db2.gz FWFYZYCCSHQABA-GKQMSVHHSA-N 0 3 182.654 2.311 10 0 AEAEHN Br/C=C/[C@H]1CCCCN1 575544783 352619361 /nfs/dbraw/zinc/61/93/61/352619361.db2.gz HRSAQHPRALFEER-SMMXGFFBSA-N 0 3 190.084 2.037 10 0 AEAEHN Br/C=C/[C@@H]1CCCCN1 575544782 352619417 /nfs/dbraw/zinc/61/94/17/352619417.db2.gz HRSAQHPRALFEER-KPJROHGDSA-N 0 3 190.084 2.037 10 0 AEAEHN NCc1cnc([C@H]2C[C@@H]3C[C@@H]3C2)s1 575544779 352619479 /nfs/dbraw/zinc/61/94/79/352619479.db2.gz LAUZAPCWKGWWAG-RNLVFQAGSA-N 0 3 194.303 2.115 10 0 AEAEHN C[C@H]1NCCC/C1=C/Br 575545194 352621354 /nfs/dbraw/zinc/62/13/54/352621354.db2.gz IYQSCGCKFKXHDI-XOQWBGJWSA-N 0 3 190.084 2.037 10 0 AEAEHN C[C@@H]1NCCC/C1=C/Br 575545198 352621532 /nfs/dbraw/zinc/62/15/32/352621532.db2.gz IYQSCGCKFKXHDI-ZHURGCMGSA-N 0 3 190.084 2.037 10 0 AEAEHN C[C@H]1NCCC/C1=C\Br 575545188 352621549 /nfs/dbraw/zinc/62/15/49/352621549.db2.gz IYQSCGCKFKXHDI-LUFONEFESA-N 0 3 190.084 2.037 10 0 AEAEHN C[C@@H]1NCCC/C1=C\Br 575545195 352621646 /nfs/dbraw/zinc/62/16/46/352621646.db2.gz IYQSCGCKFKXHDI-YXXZKMSWSA-N 0 3 190.084 2.037 10 0 AEAEHN CC1(C)C[C@]1(C)Nc1ccncc1 575545604 352621973 /nfs/dbraw/zinc/62/19/73/352621973.db2.gz PFOWHTFIVGBLEM-NSHDSACASA-N 0 3 176.263 2.104 10 0 AEAEHN CC1(C)C[C@@]1(C)Nc1ccncc1 575545602 352621988 /nfs/dbraw/zinc/62/19/88/352621988.db2.gz PFOWHTFIVGBLEM-LLVKDONJSA-N 0 3 176.263 2.104 10 0 AEAEHN N[C@@]1(c2cncs2)CCCC12CC2 575545874 352623484 /nfs/dbraw/zinc/62/34/84/352623484.db2.gz NUYRQQGCZJVTAJ-SNVBAGLBSA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@]1(c2ccns2)CCCC12CC2 575545875 352623581 /nfs/dbraw/zinc/62/35/81/352623581.db2.gz NWOISMUFUGBSNZ-JTQLQIEISA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@@]1(c2ccns2)CCCC12CC2 575545876 352623697 /nfs/dbraw/zinc/62/36/97/352623697.db2.gz NWOISMUFUGBSNZ-SNVBAGLBSA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@H](c1nccs1)[C@H]1C[C@@H]2C[C@@H]2C1 575546279 352625158 /nfs/dbraw/zinc/62/51/58/352625158.db2.gz TWFUTCUTMIVVHN-KZVJFYERSA-N 0 3 194.303 2.189 10 0 AEAEHN N[C@@H](c1nccs1)[C@H]1C[C@@H]2C[C@@H]2C1 575546278 352625209 /nfs/dbraw/zinc/62/52/09/352625209.db2.gz TWFUTCUTMIVVHN-BZNPZCIMSA-N 0 3 194.303 2.189 10 0 AEAEHN C[C@H](Nc1ccncc1)C1(C)CC1 575546372 352625225 /nfs/dbraw/zinc/62/52/25/352625225.db2.gz RMEVMSKCQUNNDG-VIFPVBQESA-N 0 3 176.263 2.104 10 0 AEAEHN C1CN[C@]2(CCCC23CC3)SC1 575546457 352625492 /nfs/dbraw/zinc/62/54/92/352625492.db2.gz SXFXMTPPGNZSTL-SNVBAGLBSA-N 0 3 183.320 2.373 10 0 AEAEHN C1CN[C@@]2(CCCC23CC3)SC1 575546454 352625671 /nfs/dbraw/zinc/62/56/71/352625671.db2.gz SXFXMTPPGNZSTL-JTQLQIEISA-N 0 3 183.320 2.373 10 0 AEAEHN C[C@@H]1CS[C@]2(CCCC23CC3)N1 575547146 352627507 /nfs/dbraw/zinc/62/75/07/352627507.db2.gz XRQQLKONVNNZOY-SCZZXKLOSA-N 0 3 183.320 2.372 10 0 AEAEHN C[C@@H]1CS[C@@]2(CCCC23CC3)N1 575547138 352627638 /nfs/dbraw/zinc/62/76/38/352627638.db2.gz XRQQLKONVNNZOY-PSASIEDQSA-N 0 3 183.320 2.372 10 0 AEAEHN C[C@H]1CS[C@]2(CCCC23CC3)N1 575547149 352627817 /nfs/dbraw/zinc/62/78/17/352627817.db2.gz XRQQLKONVNNZOY-WPRPVWTQSA-N 0 3 183.320 2.372 10 0 AEAEHN C[C@H]1CS[C@@]2(CCCC23CC3)N1 575547147 352627968 /nfs/dbraw/zinc/62/79/68/352627968.db2.gz XRQQLKONVNNZOY-WCBMZHEXSA-N 0 3 183.320 2.372 10 0 AEAEHN N[C@@]1(c2cnsc2)CCCC12CC2 575547285 352628245 /nfs/dbraw/zinc/62/82/45/352628245.db2.gz YYXBDZKHZAMOSF-SNVBAGLBSA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@@]1(c2cscn2)CCCC12CC2 575547351 352628351 /nfs/dbraw/zinc/62/83/51/352628351.db2.gz ZUBIPAQDUGIHOH-SNVBAGLBSA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@]1(c2cscn2)CCCC12CC2 575547350 352628475 /nfs/dbraw/zinc/62/84/75/352628475.db2.gz ZUBIPAQDUGIHOH-JTQLQIEISA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@]1(c2cnsc2)CCCC12CC2 575547284 352628576 /nfs/dbraw/zinc/62/85/76/352628576.db2.gz YYXBDZKHZAMOSF-JTQLQIEISA-N 0 3 194.303 2.261 10 0 AEAEHN CC1(C)C[C@@](N)(c2cccs2)CO1 575548051 352629263 /nfs/dbraw/zinc/62/92/63/352629263.db2.gz AIYXJYJMTIRZNN-JTQLQIEISA-N 0 3 197.303 2.101 10 0 AEAEHN CC1(C)C[C@](N)(c2cccs2)CO1 575548052 352629322 /nfs/dbraw/zinc/62/93/22/352629322.db2.gz AIYXJYJMTIRZNN-SNVBAGLBSA-N 0 3 197.303 2.101 10 0 AEAEHN Cc1ncsc1[C@@](C)(N)C1CCC1 575548103 352629904 /nfs/dbraw/zinc/62/99/04/352629904.db2.gz BGKFEJAETRNQMV-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc(C2(N)CSC2)ccc1F 575548075 352629910 /nfs/dbraw/zinc/62/99/10/352629910.db2.gz AWWDQDUAWHRCBT-UHFFFAOYSA-N 0 3 197.278 2.035 10 0 AEAEHN Cc1ccc(F)c(C2(N)CSC2)c1 575548205 352630304 /nfs/dbraw/zinc/63/03/04/352630304.db2.gz CBCPRUARVPSOKW-UHFFFAOYSA-N 0 3 197.278 2.035 10 0 AEAEHN Cc1ncsc1[C@](C)(N)C1CCC1 575548105 352630335 /nfs/dbraw/zinc/63/03/35/352630335.db2.gz BGKFEJAETRNQMV-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc(F)cc(C2(N)CSC2)c1 575548288 352630662 /nfs/dbraw/zinc/63/06/62/352630662.db2.gz CRBKDZCUFQCCQJ-UHFFFAOYSA-N 0 3 197.278 2.035 10 0 AEAEHN C[C@H]1CCCCC1=C1CNC1 575548517 352631337 /nfs/dbraw/zinc/63/13/37/352631337.db2.gz FFMKWBWMHPJXRK-QMMMGPOBSA-N 0 3 151.253 2.096 10 0 AEAEHN C[C@@H]1CCCCC1=C1CNC1 575548516 352631340 /nfs/dbraw/zinc/63/13/40/352631340.db2.gz FFMKWBWMHPJXRK-MRVPVSSYSA-N 0 3 151.253 2.096 10 0 AEAEHN Cc1nc([C@](C)(N)C2CCC2)cs1 575548424 352631371 /nfs/dbraw/zinc/63/13/71/352631371.db2.gz DDWQPRSQPNJLAU-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1nc([C@@](C)(N)C2CCC2)cs1 575548423 352631399 /nfs/dbraw/zinc/63/13/99/352631399.db2.gz DDWQPRSQPNJLAU-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ccc(C2(N)CSC2)cc1F 575548448 352631530 /nfs/dbraw/zinc/63/15/30/352631530.db2.gz DLBGZTBSPYWXAN-UHFFFAOYSA-N 0 3 197.278 2.035 10 0 AEAEHN C[C@](N)(c1ccns1)C1CCC1 575549135 352633619 /nfs/dbraw/zinc/63/36/19/352633619.db2.gz HWJQMAKBZWNHMM-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@](N)(c1ccns1)C1CCC1 575549137 352633672 /nfs/dbraw/zinc/63/36/72/352633672.db2.gz HWJQMAKBZWNHMM-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@](N)(c1cncs1)C1CCC1 575549473 352634570 /nfs/dbraw/zinc/63/45/70/352634570.db2.gz KYNPSYRUHRRXHT-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@](N)(c1cscn1)C1CCC1 575549411 352634602 /nfs/dbraw/zinc/63/46/02/352634602.db2.gz JFPRZFPISHWGMA-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN NC1(c2ccccc2Cl)CSC1 575549469 352634608 /nfs/dbraw/zinc/63/46/08/352634608.db2.gz KVHKBMNJUVNHOE-UHFFFAOYSA-N 0 3 199.706 2.241 10 0 AEAEHN C[C@](N)(c1cscn1)C1CCC1 575549410 352634617 /nfs/dbraw/zinc/63/46/17/352634617.db2.gz JFPRZFPISHWGMA-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@](N)(c1cncs1)C1CCC1 575549474 352634695 /nfs/dbraw/zinc/63/46/95/352634695.db2.gz KYNPSYRUHRRXHT-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)C[C@](N)(c2ccsc2)CO1 575549486 352634966 /nfs/dbraw/zinc/63/49/66/352634966.db2.gz LQHUVFYXAZEAJH-SNVBAGLBSA-N 0 3 197.303 2.101 10 0 AEAEHN Cc1ccc(C)c(C2(N)CSC2)c1 575549402 352634986 /nfs/dbraw/zinc/63/49/86/352634986.db2.gz IZFOFHRUZOYDIG-UHFFFAOYSA-N 0 3 193.315 2.204 10 0 AEAEHN Cc1cc(F)ccc1C1(N)CSC1 575549931 352636100 /nfs/dbraw/zinc/63/61/00/352636100.db2.gz NTORMJLXZNDXGE-UHFFFAOYSA-N 0 3 197.278 2.035 10 0 AEAEHN NCc1ccncc1C1=CCCC1 575550035 352636719 /nfs/dbraw/zinc/63/67/19/352636719.db2.gz OQYPEBXIXLRLJJ-UHFFFAOYSA-N 0 3 174.247 2.108 10 0 AEAEHN Cc1cc(C)cc(C2(N)CSC2)c1 575549987 352636870 /nfs/dbraw/zinc/63/68/70/352636870.db2.gz PFCCHEMAQJCODF-UHFFFAOYSA-N 0 3 193.315 2.204 10 0 AEAEHN CCc1ccccc1C1(N)CSC1 575550151 352637313 /nfs/dbraw/zinc/63/73/13/352637313.db2.gz PSEXNQNPPIMQPR-UHFFFAOYSA-N 0 3 193.315 2.150 10 0 AEAEHN Cc1ncc([C@@](C)(N)C2CCC2)s1 575550222 352637318 /nfs/dbraw/zinc/63/73/18/352637318.db2.gz RCKHSENKYRHYEG-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ccc(C2(N)CSC2)cc1C 575550165 352637447 /nfs/dbraw/zinc/63/74/47/352637447.db2.gz QCJYRKTUTQOETJ-UHFFFAOYSA-N 0 3 193.315 2.204 10 0 AEAEHN Cc1ncc([C@](C)(N)C2CCC2)s1 575550224 352637509 /nfs/dbraw/zinc/63/75/09/352637509.db2.gz RCKHSENKYRHYEG-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN N[C@@H]1COc2c1ccc1sccc21 575550334 352637999 /nfs/dbraw/zinc/63/79/99/352637999.db2.gz SMIBFXHESHUBDG-MRVPVSSYSA-N 0 3 191.255 2.294 10 0 AEAEHN N[C@H]1COc2c1ccc1sccc21 575550335 352638220 /nfs/dbraw/zinc/63/82/20/352638220.db2.gz SMIBFXHESHUBDG-QMMMGPOBSA-N 0 3 191.255 2.294 10 0 AEAEHN Cc1ccc(F)cc1C1(N)CSC1 575550577 352638921 /nfs/dbraw/zinc/63/89/21/352638921.db2.gz UTMBJIPFVYLHCU-UHFFFAOYSA-N 0 3 197.278 2.035 10 0 AEAEHN NC1(c2ccc(Cl)cc2)CSC1 575551485 352642533 /nfs/dbraw/zinc/64/25/33/352642533.db2.gz YKYYWKZERUABMJ-UHFFFAOYSA-N 0 3 199.706 2.241 10 0 AEAEHN CC1(C)C[C@@]1(C)[C@@H](N)C1=CCCO1 575553641 352649184 /nfs/dbraw/zinc/64/91/84/352649184.db2.gz BTGQWEVRJSJMMS-ONGXEEELSA-N 0 3 181.279 2.054 10 0 AEAEHN Cc1cc(C2(N)CC(C)C2)sn1 575553932 352650109 /nfs/dbraw/zinc/65/01/09/352650109.db2.gz BHRPPRUCOCNSDY-UHFFFAOYSA-N 0 3 182.292 2.035 10 0 AEAEHN CC1(C)C[C@@]1(C)[C@H](N)c1ccc[nH]1 575553865 352650196 /nfs/dbraw/zinc/65/01/96/352650196.db2.gz KVRAMAHSWOQFDO-KOLCDFICSA-N 0 3 178.279 2.451 10 0 AEAEHN CC1(C)C[C@]1(C)[C@@H](N)c1ccc[nH]1 575553864 352650405 /nfs/dbraw/zinc/65/04/05/352650405.db2.gz KVRAMAHSWOQFDO-GXSJLCMTSA-N 0 3 178.279 2.451 10 0 AEAEHN CC1(C)C[C@]1(C)[C@H](N)c1ccc[nH]1 575553866 352650440 /nfs/dbraw/zinc/65/04/40/352650440.db2.gz KVRAMAHSWOQFDO-MWLCHTKSSA-N 0 3 178.279 2.451 10 0 AEAEHN CC1(C)C[C@@]1(C)[C@@H](N)c1ccc[nH]1 575553867 352650527 /nfs/dbraw/zinc/65/05/27/352650527.db2.gz KVRAMAHSWOQFDO-ONGXEEELSA-N 0 3 178.279 2.451 10 0 AEAEHN C[C@@H]1CCC[C@@]1(N)c1ccsn1 575554106 352651066 /nfs/dbraw/zinc/65/10/66/352651066.db2.gz CSPWBWIMNAYKFQ-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CCC[C@]1(N)c1ccsn1 575554108 352651166 /nfs/dbraw/zinc/65/11/66/352651166.db2.gz CSPWBWIMNAYKFQ-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CCC[C@@]1(N)c1ccsn1 575554107 352651260 /nfs/dbraw/zinc/65/12/60/352651260.db2.gz CSPWBWIMNAYKFQ-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1ncsc1C1(N)CC(C)C1 575554123 352651668 /nfs/dbraw/zinc/65/16/68/352651668.db2.gz CYRBVAALQGQQMM-UHFFFAOYSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ncsc1[C@@]1(N)CC[C@@H]1C 575554183 352651784 /nfs/dbraw/zinc/65/17/84/352651784.db2.gz DOZMWUFYCJBWDS-IMTBSYHQSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ncsc1[C@]1(N)CC[C@H]1C 575554186 352651811 /nfs/dbraw/zinc/65/18/11/352651811.db2.gz DOZMWUFYCJBWDS-MUWHJKNJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ncc([C@]2(N)CCC[C@@H]2C)s1 575554140 352651852 /nfs/dbraw/zinc/65/18/52/352651852.db2.gz DFHCVPWEGZRWPO-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncsc1[C@@]1(N)CC[C@H]1C 575554181 352651897 /nfs/dbraw/zinc/65/18/97/352651897.db2.gz DOZMWUFYCJBWDS-HZGVNTEJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ncc([C@]2(N)CCC[C@H]2C)s1 575554139 352651945 /nfs/dbraw/zinc/65/19/45/352651945.db2.gz DFHCVPWEGZRWPO-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc([C@@]2(N)CCC[C@@H]2C)s1 575554138 352651954 /nfs/dbraw/zinc/65/19/54/352651954.db2.gz DFHCVPWEGZRWPO-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@@H]1CCC[C@]1(N)c1ccsn1 575554109 352651975 /nfs/dbraw/zinc/65/19/75/352651975.db2.gz CSPWBWIMNAYKFQ-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1ncsc1[C@]1(N)CC[C@@H]1C 575554187 352652017 /nfs/dbraw/zinc/65/20/17/352652017.db2.gz DOZMWUFYCJBWDS-RCOVLWMOSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ncc([C@@]2(N)CCC[C@H]2C)s1 575554137 352652021 /nfs/dbraw/zinc/65/20/21/352652021.db2.gz DFHCVPWEGZRWPO-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN NC1(c2cnc(C3CC3)s2)CCC1 575554122 352652055 /nfs/dbraw/zinc/65/20/55/352652055.db2.gz CYFGYRKPDZWGJH-UHFFFAOYSA-N 0 3 194.303 2.358 10 0 AEAEHN C[C@@H](C=C1CNC1)C(C)(C)C 575554411 352652611 /nfs/dbraw/zinc/65/26/11/352652611.db2.gz BLFXIXKGZVLKBO-QMMMGPOBSA-N 0 3 153.269 2.198 10 0 AEAEHN C[C@H](C=C1CNC1)C(C)(C)C 575554409 352652667 /nfs/dbraw/zinc/65/26/67/352652667.db2.gz BLFXIXKGZVLKBO-MRVPVSSYSA-N 0 3 153.269 2.198 10 0 AEAEHN C[C@@](N)(c1ccc(Cl)cn1)C1CC1 575554601 352652967 /nfs/dbraw/zinc/65/29/67/352652967.db2.gz GDTAONKUYKJCOU-JTQLQIEISA-N 0 3 196.681 2.319 10 0 AEAEHN C[C@](N)(c1ccc(Cl)cn1)C1CC1 575554602 352653318 /nfs/dbraw/zinc/65/33/18/352653318.db2.gz GDTAONKUYKJCOU-SNVBAGLBSA-N 0 3 196.681 2.319 10 0 AEAEHN C[C@H]1CCC[C@]1(N)c1cscn1 575554921 352654282 /nfs/dbraw/zinc/65/42/82/352654282.db2.gz IENMETVJUGKTGM-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CCC[C@@]1(N)c1cscn1 575554919 352654285 /nfs/dbraw/zinc/65/42/85/352654285.db2.gz IENMETVJUGKTGM-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CCC[C@]1(N)c1ccns1 575555016 352654289 /nfs/dbraw/zinc/65/42/89/352654289.db2.gz ISENMITXDVTVIX-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@H]1CCC[C@@]1(N)c1ccns1 575555003 352654302 /nfs/dbraw/zinc/65/43/02/352654302.db2.gz ISENMITXDVTVIX-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CCC[C@]1(N)c1cscn1 575554922 352654354 /nfs/dbraw/zinc/65/43/54/352654354.db2.gz IENMETVJUGKTGM-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CCC[C@@]1(N)c1ccns1 575555002 352654378 /nfs/dbraw/zinc/65/43/78/352654378.db2.gz ISENMITXDVTVIX-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CCC[C@]1(N)c1ccns1 575555018 352655096 /nfs/dbraw/zinc/65/50/96/352655096.db2.gz ISENMITXDVTVIX-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1nc([C@]2(N)CC[C@H]2C)cs1 575555306 352655699 /nfs/dbraw/zinc/65/56/99/352655699.db2.gz JYFTWVWUIZYPGE-MUWHJKNJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1nc([C@@]2(N)CC[C@@H]2C)cs1 575555304 352655836 /nfs/dbraw/zinc/65/58/36/352655836.db2.gz JYFTWVWUIZYPGE-IMTBSYHQSA-N 0 3 182.292 2.035 10 0 AEAEHN C[C@H]1CCC[C@@]1(N)c1cncs1 575555389 352655872 /nfs/dbraw/zinc/65/58/72/352655872.db2.gz KSXNJKWBTXDBPL-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN C[C@@H]1CCC[C@@]1(N)c1cncs1 575555388 352655904 /nfs/dbraw/zinc/65/59/04/352655904.db2.gz KSXNJKWBTXDBPL-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1nc([C@]2(N)CC[C@@H]2C)cs1 575555307 352655977 /nfs/dbraw/zinc/65/59/77/352655977.db2.gz JYFTWVWUIZYPGE-RCOVLWMOSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1nc([C@@]2(N)CC[C@H]2C)cs1 575555302 352655980 /nfs/dbraw/zinc/65/59/80/352655980.db2.gz JYFTWVWUIZYPGE-HZGVNTEJSA-N 0 3 182.292 2.035 10 0 AEAEHN C[C@H]1CCC[C@]1(N)c1cncs1 575555391 352656253 /nfs/dbraw/zinc/65/62/53/352656253.db2.gz KSXNJKWBTXDBPL-IONNQARKSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1cc([C@@]2(N)CCC[C@H]2C)sn1 575555444 352656429 /nfs/dbraw/zinc/65/64/29/352656429.db2.gz LAKGZIMFNIKPOE-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@]2(N)CCC[C@@H]2C)sn1 575555607 352656444 /nfs/dbraw/zinc/65/64/44/352656444.db2.gz LAKGZIMFNIKPOE-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc([C@]2(N)CC[C@@H]2C)s1 575555611 352656467 /nfs/dbraw/zinc/65/64/67/352656467.db2.gz LBONTCDKWJCYAC-RCOVLWMOSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1nc(C2(N)CC(C)C2)cs1 575555431 352656536 /nfs/dbraw/zinc/65/65/36/352656536.db2.gz KYEJUINXUDWBLE-UHFFFAOYSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1ncc([C@]2(N)CC[C@H]2C)s1 575555610 352656618 /nfs/dbraw/zinc/65/66/18/352656618.db2.gz LBONTCDKWJCYAC-MUWHJKNJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1cc([C@]2(N)CCC[C@H]2C)sn1 575555606 352656554 /nfs/dbraw/zinc/65/65/54/352656554.db2.gz LAKGZIMFNIKPOE-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@@H]1CCC[C@]1(N)c1cncs1 575555392 352656585 /nfs/dbraw/zinc/65/65/85/352656585.db2.gz KSXNJKWBTXDBPL-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1ncc([C@@]2(N)CC[C@@H]2C)s1 575555609 352656590 /nfs/dbraw/zinc/65/65/90/352656590.db2.gz LBONTCDKWJCYAC-IMTBSYHQSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1cc([C@@]2(N)CCC[C@@H]2C)sn1 575555445 352656597 /nfs/dbraw/zinc/65/65/97/352656597.db2.gz LAKGZIMFNIKPOE-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc([C@@]2(N)CC[C@H]2C)s1 575555608 352656632 /nfs/dbraw/zinc/65/66/32/352656632.db2.gz LBONTCDKWJCYAC-HZGVNTEJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1c(Cl)ccc2c1OCCNC2 575556074 352658292 /nfs/dbraw/zinc/65/82/92/352658292.db2.gz GKBKNTBIXNBLDN-UHFFFAOYSA-N 0 3 197.665 2.130 10 0 AEAEHN COc1ccc(C2(N)CC(C)C2)s1 575556233 352659021 /nfs/dbraw/zinc/65/90/21/352659021.db2.gz OQCIUMVWZQOAIG-UHFFFAOYSA-N 0 3 197.303 2.341 10 0 AEAEHN Cc1cc([C@@]2(N)CC[C@H]2C)sn1 575556211 352659127 /nfs/dbraw/zinc/65/91/27/352659127.db2.gz OKFFQJFUNVCQOE-HZGVNTEJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1cc([C@]2(N)CC[C@H]2C)sn1 575556214 352659175 /nfs/dbraw/zinc/65/91/75/352659175.db2.gz OKFFQJFUNVCQOE-MUWHJKNJSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1cc([C@@]2(N)CC[C@@H]2C)sn1 575556213 352659225 /nfs/dbraw/zinc/65/92/25/352659225.db2.gz OKFFQJFUNVCQOE-IMTBSYHQSA-N 0 3 182.292 2.035 10 0 AEAEHN Cc1cc([C@]2(N)CC[C@@H]2C)sn1 575556215 352659316 /nfs/dbraw/zinc/65/93/16/352659316.db2.gz OKFFQJFUNVCQOE-RCOVLWMOSA-N 0 3 182.292 2.035 10 0 AEAEHN C/C=C/[C@H](N)c1cccc(F)c1 575556454 352659741 /nfs/dbraw/zinc/65/97/41/352659741.db2.gz CFCNHLKCBLFNHP-YWNRKNDBSA-N 0 3 165.211 2.402 10 0 AEAEHN C/C=C/[C@@H](N)c1cccc(F)c1 575556447 352659858 /nfs/dbraw/zinc/65/98/58/352659858.db2.gz CFCNHLKCBLFNHP-XCRNYIDWSA-N 0 3 165.211 2.402 10 0 AEAEHN C[C@@H]1CCCC[C@H]1C(=O)C(C)(C)N 575556581 352660266 /nfs/dbraw/zinc/66/02/66/352660266.db2.gz IXXAGXHDFBWZCB-RKDXNWHRSA-N 0 3 183.295 2.119 10 0 AEAEHN C/C=C/[C@@H](NC)c1ccoc1 575556488 352660296 /nfs/dbraw/zinc/66/02/96/352660296.db2.gz HYOTVZDRNCLPDS-CDAZIORVSA-N 0 3 151.209 2.116 10 0 AEAEHN C[C@H]1CCCC[C@@H]1C(=O)C(C)(C)N 575556580 352660302 /nfs/dbraw/zinc/66/03/02/352660302.db2.gz IXXAGXHDFBWZCB-IUCAKERBSA-N 0 3 183.295 2.119 10 0 AEAEHN C[C@H]1CCCC[C@H]1C(=O)C(C)(C)N 575556579 352660368 /nfs/dbraw/zinc/66/03/68/352660368.db2.gz IXXAGXHDFBWZCB-DTWKUNHWSA-N 0 3 183.295 2.119 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)N 575556577 352660408 /nfs/dbraw/zinc/66/04/08/352660408.db2.gz IXXAGXHDFBWZCB-BDAKNGLRSA-N 0 3 183.295 2.119 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1[C@@](C)(F)CN 575556547 352660464 /nfs/dbraw/zinc/66/04/64/352660464.db2.gz IGKJSTLJBJZQIP-UTLUCORTSA-N 0 3 173.275 2.500 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1[C@](C)(F)CN 575556543 352660475 /nfs/dbraw/zinc/66/04/75/352660475.db2.gz IGKJSTLJBJZQIP-KXUCPTDWSA-N 0 3 173.275 2.500 10 0 AEAEHN C[C@@H]1CCCC[C@H]1[C@@](C)(F)CN 575556540 352660489 /nfs/dbraw/zinc/66/04/89/352660489.db2.gz IGKJSTLJBJZQIP-BBBLOLIVSA-N 0 3 173.275 2.500 10 0 AEAEHN C/C=C/[C@H](NC)c1ccoc1 575556491 352660539 /nfs/dbraw/zinc/66/05/39/352660539.db2.gz HYOTVZDRNCLPDS-NWALNABHSA-N 0 3 151.209 2.116 10 0 AEAEHN C[C@@H]1CCCC[C@H]1[C@](C)(F)CN 575556546 352660616 /nfs/dbraw/zinc/66/06/16/352660616.db2.gz IGKJSTLJBJZQIP-OPRDCNLKSA-N 0 3 173.275 2.500 10 0 AEAEHN Cc1ncc(C2(N)CC(C)C2)s1 575556780 352661067 /nfs/dbraw/zinc/66/10/67/352661067.db2.gz QVOSVPKEYBIUSX-UHFFFAOYSA-N 0 3 182.292 2.035 10 0 AEAEHN C/C=C/[C@H](N)c1ccccc1F 575556906 352661639 /nfs/dbraw/zinc/66/16/39/352661639.db2.gz FFMVDDLCTLQNGY-FWYAXHSGSA-N 0 3 165.211 2.402 10 0 AEAEHN C/C=C/[C@@H](N)c1ccccc1F 575556907 352661695 /nfs/dbraw/zinc/66/16/95/352661695.db2.gz FFMVDDLCTLQNGY-JYBNPQIESA-N 0 3 165.211 2.402 10 0 AEAEHN COc1ccc(C2(N)CCC2)s1 575557196 352663207 /nfs/dbraw/zinc/66/32/07/352663207.db2.gz RVYWODLJEYRFMH-UHFFFAOYSA-N 0 3 183.276 2.095 10 0 AEAEHN Cc1ncc([C@@]2(N)CCC2(C)C)s1 575558029 352666361 /nfs/dbraw/zinc/66/63/61/352666361.db2.gz BDBDMEIGNMMUEC-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN CC1(C)CC(N)(c2cncs2)C1 575557986 352666519 /nfs/dbraw/zinc/66/65/19/352666519.db2.gz AMZFNVDPLSUFID-UHFFFAOYSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1nc([C@@]2(N)CCC[C@H]2C)cs1 575558074 352666860 /nfs/dbraw/zinc/66/68/60/352666860.db2.gz WATJMZQAVHGCJJ-GMSGAONNSA-N 0 3 196.319 2.426 10 0 AEAEHN C/C=C/[C@H](N)c1ccoc1C 575558150 352666871 /nfs/dbraw/zinc/66/68/71/352666871.db2.gz RDBJHHQZZFVUID-NWALNABHSA-N 0 3 151.209 2.164 10 0 AEAEHN CCC[C@](C)(N)c1cncs1 575569040 352718940 /nfs/dbraw/zinc/71/89/40/352718940.db2.gz GRMYTOXGDVPSQC-QMMMGPOBSA-N 0 3 170.281 2.117 10 0 AEAEHN Cc1ncc([C@]2(N)CCC2(C)C)s1 575558032 352667060 /nfs/dbraw/zinc/66/70/60/352667060.db2.gz BDBDMEIGNMMUEC-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN C/C=C/[C@@H](N)c1ccoc1C 575558149 352667125 /nfs/dbraw/zinc/66/71/25/352667125.db2.gz RDBJHHQZZFVUID-CDAZIORVSA-N 0 3 151.209 2.164 10 0 AEAEHN Cc1nc([C@]2(N)CCC[C@@H]2C)cs1 575558081 352667169 /nfs/dbraw/zinc/66/71/69/352667169.db2.gz WATJMZQAVHGCJJ-XVKPBYJWSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1nc([C@@]2(N)CCC[C@@H]2C)cs1 575558076 352667253 /nfs/dbraw/zinc/66/72/53/352667253.db2.gz WATJMZQAVHGCJJ-OIBJUYFYSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1nc([C@]2(N)CCC[C@H]2C)cs1 575558078 352667317 /nfs/dbraw/zinc/66/73/17/352667317.db2.gz WATJMZQAVHGCJJ-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN CC(C)[C@]1(C2CC2)NCCCS1 575558292 352667613 /nfs/dbraw/zinc/66/76/13/352667613.db2.gz CKJYMTJLKQHNRF-JTQLQIEISA-N 0 3 185.336 2.475 10 0 AEAEHN CC(C)[C@@]1(C2CC2)NCCCS1 575558295 352667636 /nfs/dbraw/zinc/66/76/36/352667636.db2.gz CKJYMTJLKQHNRF-SNVBAGLBSA-N 0 3 185.336 2.475 10 0 AEAEHN CC1(C)CC(N)(c2cscn2)C1 575558338 352667729 /nfs/dbraw/zinc/66/77/29/352667729.db2.gz CMLIFXCSKFLGOU-UHFFFAOYSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1cc([C@@](C)(N)C2CCC2)sn1 575558283 352667851 /nfs/dbraw/zinc/66/78/51/352667851.db2.gz CJEMQTHQUIQECM-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@](C)(N)C2CCC2)sn1 575558286 352667915 /nfs/dbraw/zinc/66/79/15/352667915.db2.gz CJEMQTHQUIQECM-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@]2(N)CCO[C@H]2C)cs1 575558930 352670073 /nfs/dbraw/zinc/67/00/73/352670073.db2.gz DXURLRNKTUBKHF-WPRPVWTQSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1cc([C@]2(N)CCO[C@@H]2C)cs1 575558919 352670213 /nfs/dbraw/zinc/67/02/13/352670213.db2.gz DXURLRNKTUBKHF-SCZZXKLOSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1cc([C@@]2(N)CCO[C@H]2C)cs1 575558923 352670290 /nfs/dbraw/zinc/67/02/90/352670290.db2.gz DXURLRNKTUBKHF-WCBMZHEXSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1cc([C@@]2(N)CCO[C@@H]2C)cs1 575558917 352670351 /nfs/dbraw/zinc/67/03/51/352670351.db2.gz DXURLRNKTUBKHF-PSASIEDQSA-N 0 3 197.303 2.019 10 0 AEAEHN C/C=C/[C@H](N)c1cccs1 575559722 352673416 /nfs/dbraw/zinc/67/34/16/352673416.db2.gz XDQCZRUUEGSPLO-XBBYQOBLSA-N 0 3 153.250 2.324 10 0 AEAEHN C/C=C/[C@@H](N)c1ccsc1 575559711 352673618 /nfs/dbraw/zinc/67/36/18/352673618.db2.gz WUSMBGBXBDDULY-UFUPEUMYSA-N 0 3 153.250 2.324 10 0 AEAEHN C/C=C/[C@@H](N)c1cccs1 575559721 352673788 /nfs/dbraw/zinc/67/37/88/352673788.db2.gz XDQCZRUUEGSPLO-NUOXCJHRSA-N 0 3 153.250 2.324 10 0 AEAEHN C/C=C/[C@H](N)c1ccsc1 575559708 352673872 /nfs/dbraw/zinc/67/38/72/352673872.db2.gz WUSMBGBXBDDULY-SGJFDWMWSA-N 0 3 153.250 2.324 10 0 AEAEHN C[C@@H]1CCCC[C@H]1[C@@H](F)CN 575559878 352674293 /nfs/dbraw/zinc/67/42/93/352674293.db2.gz ZBJIWNBIPLJUFZ-HLTSFMKQSA-N 0 3 159.248 2.110 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1[C@H](F)CN 575559879 352674425 /nfs/dbraw/zinc/67/44/25/352674425.db2.gz ZBJIWNBIPLJUFZ-HRDYMLBCSA-N 0 3 159.248 2.110 10 0 AEAEHN C[C@@H]1CCCC[C@H]1[C@H](F)CN 575559880 352674449 /nfs/dbraw/zinc/67/44/49/352674449.db2.gz ZBJIWNBIPLJUFZ-IWSPIJDZSA-N 0 3 159.248 2.110 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1[C@@H](F)CN 575559881 352674503 /nfs/dbraw/zinc/67/45/03/352674503.db2.gz ZBJIWNBIPLJUFZ-VGMNWLOBSA-N 0 3 159.248 2.110 10 0 AEAEHN Cc1cc([C@@]2(N)CCC2(C)C)sn1 575560231 352675627 /nfs/dbraw/zinc/67/56/27/352675627.db2.gz JIGLGWGZOKCBCC-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN CC1(C)CC[C@@]1(N)c1cncs1 575560173 352675636 /nfs/dbraw/zinc/67/56/36/352675636.db2.gz JAVWXIQZHTXVKR-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)CC[C@]1(N)c1cncs1 575560175 352675676 /nfs/dbraw/zinc/67/56/76/352675676.db2.gz JAVWXIQZHTXVKR-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1cc([C@]2(N)CCC2(C)C)sn1 575560235 352675937 /nfs/dbraw/zinc/67/59/37/352675937.db2.gz JIGLGWGZOKCBCC-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN CC1(C)CC[C@@]1(N)c1cnsc1 575560456 352676555 /nfs/dbraw/zinc/67/65/55/352676555.db2.gz LGZSWHPVZBBDKZ-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1ncsc1[C@]1(N)CCC1(C)C 575560409 352676754 /nfs/dbraw/zinc/67/67/54/352676754.db2.gz KJJXEXCRAGWNQH-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncsc1[C@@]1(N)CCC1(C)C 575560402 352676783 /nfs/dbraw/zinc/67/67/83/352676783.db2.gz KJJXEXCRAGWNQH-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN CC1(C)CC[C@]1(N)c1cnsc1 575560594 352677134 /nfs/dbraw/zinc/67/71/34/352677134.db2.gz LGZSWHPVZBBDKZ-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN C/C=C/[C@H](N)c1ccc(F)cc1 575560501 352677189 /nfs/dbraw/zinc/67/71/89/352677189.db2.gz UHEBYHNXVFHIAZ-PBKGFPTLSA-N 0 3 165.211 2.402 10 0 AEAEHN C/C=C/[C@@H](N)c1ccc(F)cc1 575560502 352677281 /nfs/dbraw/zinc/67/72/81/352677281.db2.gz UHEBYHNXVFHIAZ-VMZHVLLKSA-N 0 3 165.211 2.402 10 0 AEAEHN Cc1cc([C@]2(N)C[C@H](C)[C@H]2C)sn1 575560615 352677722 /nfs/dbraw/zinc/67/77/22/352677722.db2.gz LQEBZHBZCUNOMW-IONOHQLYSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1cc([C@]2(N)C[C@H](C)[C@@H]2C)sn1 575560613 352677809 /nfs/dbraw/zinc/67/78/09/352677809.db2.gz LQEBZHBZCUNOMW-HKPALBBZSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1cc([C@]2(N)C[C@@H](C)[C@@H]2C)sn1 575560617 352677879 /nfs/dbraw/zinc/67/78/79/352677879.db2.gz LQEBZHBZCUNOMW-PMVVWTBXSA-N 0 3 196.319 2.281 10 0 AEAEHN CC1(C)CC[C@]1(N)c1cscn1 575560603 352677923 /nfs/dbraw/zinc/67/79/23/352677923.db2.gz LMUJFSBXDUNKEO-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1cc([C@]2(N)C[C@@H](C)[C@H]2C)sn1 575560618 352677953 /nfs/dbraw/zinc/67/79/53/352677953.db2.gz LQEBZHBZCUNOMW-YNEQXMIYSA-N 0 3 196.319 2.281 10 0 AEAEHN CC1(C)CC[C@@]1(N)c1cscn1 575560602 352677980 /nfs/dbraw/zinc/67/79/80/352677980.db2.gz LMUJFSBXDUNKEO-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1ccsc1[C@@]1(N)CCO[C@H]1C 575561210 352680383 /nfs/dbraw/zinc/68/03/83/352680383.db2.gz NYDSIWXIDSLTKP-WCBMZHEXSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1ccsc1[C@]1(N)CCO[C@H]1C 575561211 352680394 /nfs/dbraw/zinc/68/03/94/352680394.db2.gz NYDSIWXIDSLTKP-WPRPVWTQSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1ccsc1[C@]1(N)CCO[C@@H]1C 575561208 352680436 /nfs/dbraw/zinc/68/04/36/352680436.db2.gz NYDSIWXIDSLTKP-SCZZXKLOSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1ccsc1[C@@]1(N)CCO[C@@H]1C 575561206 352680591 /nfs/dbraw/zinc/68/05/91/352680591.db2.gz NYDSIWXIDSLTKP-PSASIEDQSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1sccc1[C@]1(N)CCO[C@@H]1C 575561421 352681172 /nfs/dbraw/zinc/68/11/72/352681172.db2.gz OSTSPVORKOAYFP-SCZZXKLOSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1sccc1[C@]1(N)CCO[C@H]1C 575561426 352681177 /nfs/dbraw/zinc/68/11/77/352681177.db2.gz OSTSPVORKOAYFP-WPRPVWTQSA-N 0 3 197.303 2.019 10 0 AEAEHN Cc1sccc1[C@@]1(N)CCO[C@H]1C 575561424 352681399 /nfs/dbraw/zinc/68/13/99/352681399.db2.gz OSTSPVORKOAYFP-WCBMZHEXSA-N 0 3 197.303 2.019 10 0 AEAEHN CC1(C)CC[C@@]1(N)c1ccsn1 575561422 352681433 /nfs/dbraw/zinc/68/14/33/352681433.db2.gz QEDNTMUAXHFRNF-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)CC[C@]1(N)c1ccsn1 575561425 352681473 /nfs/dbraw/zinc/68/14/73/352681473.db2.gz QEDNTMUAXHFRNF-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1nc([C@]2(N)CCC2(C)C)cs1 575561720 352682462 /nfs/dbraw/zinc/68/24/62/352682462.db2.gz SWILFOKKAYYLKW-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@](N)(c1ccsn1)C1CCC1 575561709 352682466 /nfs/dbraw/zinc/68/24/66/352682466.db2.gz UCPUIAWZSVJOCT-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1ncc(C2(N)CC(C)(C)C2)s1 575561705 352682474 /nfs/dbraw/zinc/68/24/74/352682474.db2.gz STPDEKAHWUJPRF-UHFFFAOYSA-N 0 3 196.319 2.426 10 0 AEAEHN CC1(C)CC(N)(c2ccsn2)C1 575561744 352682489 /nfs/dbraw/zinc/68/24/89/352682489.db2.gz TXUQEFKLKMGBOQ-UHFFFAOYSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1nc([C@@]2(N)CCC2(C)C)cs1 575561719 352682493 /nfs/dbraw/zinc/68/24/93/352682493.db2.gz SWILFOKKAYYLKW-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc(C2(N)CC(C)(C)C2)sn1 575561725 352682583 /nfs/dbraw/zinc/68/25/83/352682583.db2.gz SZTFFEJUWCZHPZ-UHFFFAOYSA-N 0 3 196.319 2.426 10 0 AEAEHN C[C@@](N)(c1ccsn1)C1CCC1 575561710 352682855 /nfs/dbraw/zinc/68/28/55/352682855.db2.gz UCPUIAWZSVJOCT-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1ncsc1C1(N)CC(C)(C)C1 575561864 352683285 /nfs/dbraw/zinc/68/32/85/352683285.db2.gz WAEBNCHLNPGIOK-UHFFFAOYSA-N 0 3 196.319 2.426 10 0 AEAEHN CC1(C)CC(N)(c2cnsc2)C1 575561811 352683560 /nfs/dbraw/zinc/68/35/60/352683560.db2.gz VEZMPKLOKHBQJL-UHFFFAOYSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)CC(N)(c2ccns2)C1 575562103 352684674 /nfs/dbraw/zinc/68/46/74/352684674.db2.gz YCJZMIHJPVRMOX-UHFFFAOYSA-N 0 3 182.292 2.117 10 0 AEAEHN CC(C)[C@](N)(C(F)F)C1CC1 575562239 352685250 /nfs/dbraw/zinc/68/52/50/352685250.db2.gz XFKCKZDJDZEDGX-MRVPVSSYSA-N 0 3 163.211 2.015 10 0 AEAEHN CC(C)[C@@](N)(C(F)F)C1CC1 575562240 352685381 /nfs/dbraw/zinc/68/53/81/352685381.db2.gz XFKCKZDJDZEDGX-QMMMGPOBSA-N 0 3 163.211 2.015 10 0 AEAEHN CC1(C)CC[C@]1(N)c1ccns1 575562202 352685398 /nfs/dbraw/zinc/68/53/98/352685398.db2.gz ZGIWYCYDRHNFJD-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)CC[C@@]1(N)c1ccns1 575562201 352685455 /nfs/dbraw/zinc/68/54/55/352685455.db2.gz ZGIWYCYDRHNFJD-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN C/C=C/[C@@H](N)c1cc(C)cc(C)n1 575562676 352687278 /nfs/dbraw/zinc/68/72/78/352687278.db2.gz AYGCLFLITXUHSP-ORAHPGNNSA-N 0 3 176.263 2.274 10 0 AEAEHN C/C=C/[C@H](N)c1cc(C)cc(C)n1 575562678 352687419 /nfs/dbraw/zinc/68/74/19/352687419.db2.gz AYGCLFLITXUHSP-YEZKRMTDSA-N 0 3 176.263 2.274 10 0 AEAEHN C/C=C/[C@H](N)c1cc(C)nc(C)c1 575563008 352688591 /nfs/dbraw/zinc/68/85/91/352688591.db2.gz IVOPNIJOGOIRLE-ZWNMCFTASA-N 0 3 176.263 2.274 10 0 AEAEHN C/C=C/[C@@H](N)c1cc(C)nc(C)c1 575563006 352688921 /nfs/dbraw/zinc/68/89/21/352688921.db2.gz IVOPNIJOGOIRLE-SGUJLRQBSA-N 0 3 176.263 2.274 10 0 AEAEHN CC1(C)C[C@@]1(C)c1nc(CN)cs1 575563950 352693518 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3 157.232 2.043 10 0 AEAEHN C/C=C/[C@@H](F)[C@@H]1CCCCN1 575568133 352715207 /nfs/dbraw/zinc/71/52/07/352715207.db2.gz OPAWXSMOOOPWIF-COKDONQUSA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@]1(F)CC[C@@H](C)NC1 575568119 352715214 /nfs/dbraw/zinc/71/52/14/352715214.db2.gz OHNBISXLIZGNEU-ZHBVTVBMSA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@@]1(F)CC[C@H](C)NC1 575568115 352715260 /nfs/dbraw/zinc/71/52/60/352715260.db2.gz OHNBISXLIZGNEU-AFRAPRFESA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@H](F)[C@@H]1CCCCN1 575568137 352715357 /nfs/dbraw/zinc/71/53/57/352715357.db2.gz OPAWXSMOOOPWIF-GBJHPGTDSA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@]1(F)CC[C@H](C)NC1 575568116 352715432 /nfs/dbraw/zinc/71/54/32/352715432.db2.gz OHNBISXLIZGNEU-KRALRXKRSA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@@H](N)c1sccc1F 575568434 352716388 /nfs/dbraw/zinc/71/63/88/352716388.db2.gz QEJUPZQIYVXZSC-TYWZFMJISA-N 0 3 171.240 2.463 10 0 AEAEHN C/C=C/[C@@]1(F)CCCN[C@@H]1C 575568451 352716403 /nfs/dbraw/zinc/71/64/03/352716403.db2.gz QNEGALCRBOKLAH-ZZDZINKYSA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@]1(F)CCCN[C@H]1C 575568449 352716464 /nfs/dbraw/zinc/71/64/64/352716464.db2.gz QNEGALCRBOKLAH-KRALRXKRSA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@@]1(F)CCCN[C@H]1C 575568448 352716519 /nfs/dbraw/zinc/71/65/19/352716519.db2.gz QNEGALCRBOKLAH-AFRAPRFESA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@]1(F)CCCN[C@@H]1C 575568450 352716568 /nfs/dbraw/zinc/71/65/68/352716568.db2.gz QNEGALCRBOKLAH-ZHBVTVBMSA-N 0 3 157.232 2.043 10 0 AEAEHN C/C=C/[C@H](N)c1sccc1F 575568433 352716743 /nfs/dbraw/zinc/71/67/43/352716743.db2.gz QEJUPZQIYVXZSC-AIYRYJHASA-N 0 3 171.240 2.463 10 0 AEAEHN Cc1ncc([C@](C)(N)[C@@H]2C[C@H]2C)s1 575568565 352717071 /nfs/dbraw/zinc/71/70/71/352717071.db2.gz NPJPEEVELFVRFX-GTNGPMTGSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1ncc([C@](C)(N)[C@H]2C[C@@H]2C)s1 575568568 352717091 /nfs/dbraw/zinc/71/70/91/352717091.db2.gz NPJPEEVELFVRFX-KADJCCMJSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1ncc([C@](C)(N)[C@@H]2C[C@@H]2C)s1 575568578 352717286 /nfs/dbraw/zinc/71/72/86/352717286.db2.gz NPJPEEVELFVRFX-SKWCMTHISA-N 0 3 196.319 2.281 10 0 AEAEHN CCC[C@@](C)(N)c1cncs1 575569038 352719069 /nfs/dbraw/zinc/71/90/69/352719069.db2.gz GRMYTOXGDVPSQC-MRVPVSSYSA-N 0 3 170.281 2.117 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1cncs1 575569530 352721069 /nfs/dbraw/zinc/72/10/69/352721069.db2.gz CNQFMIQXRQMLGX-YEPSODPASA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1cncs1 575569521 352721141 /nfs/dbraw/zinc/72/11/41/352721141.db2.gz CNQFMIQXRQMLGX-BWVDBABLSA-N 0 3 182.292 2.189 10 0 AEAEHN CC(C)C1CC(N)(c2ccsn2)C1 575569624 352721178 /nfs/dbraw/zinc/72/11/78/352721178.db2.gz CXTSHOFBGLCZLE-UHFFFAOYSA-N 0 3 196.319 2.363 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1cncs1 575569527 352721213 /nfs/dbraw/zinc/72/12/13/352721213.db2.gz CNQFMIQXRQMLGX-VDAHYXPESA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1cncs1 575569525 352721363 /nfs/dbraw/zinc/72/13/63/352721363.db2.gz CNQFMIQXRQMLGX-FTLITQJKSA-N 0 3 182.292 2.189 10 0 AEAEHN Cc1ncc([C@]2(N)CC[C@H]3C[C@H]32)s1 575569734 352721772 /nfs/dbraw/zinc/72/17/72/352721772.db2.gz QTYWJOXYEIVTFU-XKSSXDPKSA-N 0 3 194.303 2.035 10 0 AEAEHN Cc1ncc([C@]2(N)CC[C@@H]3C[C@@H]32)s1 575569729 352721971 /nfs/dbraw/zinc/72/19/71/352721971.db2.gz QTYWJOXYEIVTFU-WEDXCCLWSA-N 0 3 194.303 2.035 10 0 AEAEHN Cc1ncc([C@H](N)[C@@]2(C)C[C@H]2C)s1 575570598 352726817 /nfs/dbraw/zinc/72/68/17/352726817.db2.gz HGOXMSYMCMZNHA-UASFKTIASA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncc([C@H](N)[C@@]2(C)C[C@@H]2C)s1 575570596 352726884 /nfs/dbraw/zinc/72/68/84/352726884.db2.gz HGOXMSYMCMZNHA-JUWDTYFHSA-N 0 3 196.319 2.497 10 0 AEAEHN N[C@]1(c2cncs2)CCC[C@@H]2C[C@@H]21 575570650 352726968 /nfs/dbraw/zinc/72/69/68/352726968.db2.gz SXYAMXBTHMHFLW-KHQFGBGNSA-N 0 3 194.303 2.117 10 0 AEAEHN Cc1ncc([C@H](N)[C@]2(C)C[C@H]2C)s1 575570600 352727053 /nfs/dbraw/zinc/72/70/53/352727053.db2.gz HGOXMSYMCMZNHA-WHFVKQHSSA-N 0 3 196.319 2.497 10 0 AEAEHN N[C@]1(c2cncs2)CCC[C@H]2C[C@H]21 575570658 352727070 /nfs/dbraw/zinc/72/70/70/352727070.db2.gz SXYAMXBTHMHFLW-QXFUBDJGSA-N 0 3 194.303 2.117 10 0 AEAEHN Cc1ncc([C@H](N)[C@]2(C)C[C@@H]2C)s1 575570595 352727093 /nfs/dbraw/zinc/72/70/93/352727093.db2.gz HGOXMSYMCMZNHA-JMOVZRAMSA-N 0 3 196.319 2.497 10 0 AEAEHN N[C@]1(c2ccns2)CCC[C@@H]2C[C@@H]21 575570750 352727409 /nfs/dbraw/zinc/72/74/09/352727409.db2.gz UEGJRYSRSFUILT-KHQFGBGNSA-N 0 3 194.303 2.117 10 0 AEAEHN N[C@]1(c2ccns2)CCC[C@H]2C[C@H]21 575570760 352727755 /nfs/dbraw/zinc/72/77/55/352727755.db2.gz UEGJRYSRSFUILT-QXFUBDJGSA-N 0 3 194.303 2.117 10 0 AEAEHN C/C=C/[C@H](N)c1scnc1C 575570919 352728203 /nfs/dbraw/zinc/72/82/03/352728203.db2.gz ZKBQLNJJMJNRJU-SDLBARTOSA-N 0 3 168.265 2.027 10 0 AEAEHN C/C=C/[C@@H](N)c1scnc1C 575570917 352728270 /nfs/dbraw/zinc/72/82/70/352728270.db2.gz ZKBQLNJJMJNRJU-KGGZQZJCSA-N 0 3 168.265 2.027 10 0 AEAEHN N[C@]1(c2ccsn2)CCC[C@H]2C[C@H]21 575571357 352730293 /nfs/dbraw/zinc/73/02/93/352730293.db2.gz UVPLYGXFZAQRTA-QXFUBDJGSA-N 0 3 194.303 2.117 10 0 AEAEHN N[C@]1(c2ccsn2)CCC[C@@H]2C[C@@H]21 575571345 352730427 /nfs/dbraw/zinc/73/04/27/352730427.db2.gz UVPLYGXFZAQRTA-KHQFGBGNSA-N 0 3 194.303 2.117 10 0 AEAEHN Cc1cc([C@]2(N)CC[C@@H]3C[C@@H]32)sn1 575571451 352730560 /nfs/dbraw/zinc/73/05/60/352730560.db2.gz VIRUJRWMPFJDRD-WEDXCCLWSA-N 0 3 194.303 2.035 10 0 AEAEHN Cc1cc([C@]2(N)CC[C@H]3C[C@H]32)sn1 575571455 352731200 /nfs/dbraw/zinc/73/12/00/352731200.db2.gz VIRUJRWMPFJDRD-XKSSXDPKSA-N 0 3 194.303 2.035 10 0 AEAEHN Cc1nc([C@H](N)[C@]2(C)C[C@H]2C)cs1 575571673 352731743 /nfs/dbraw/zinc/73/17/43/352731743.db2.gz KHCFAMIZWMSAMQ-WHFVKQHSSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1nc([C@H](N)[C@@]2(C)C[C@H]2C)cs1 575571671 352731869 /nfs/dbraw/zinc/73/18/69/352731869.db2.gz KHCFAMIZWMSAMQ-UASFKTIASA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1nc([C@H](N)[C@]2(C)C[C@@H]2C)cs1 575571668 352731894 /nfs/dbraw/zinc/73/18/94/352731894.db2.gz KHCFAMIZWMSAMQ-JMOVZRAMSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1nc([C@H](N)[C@@]2(C)C[C@@H]2C)cs1 575571669 352731979 /nfs/dbraw/zinc/73/19/79/352731979.db2.gz KHCFAMIZWMSAMQ-JUWDTYFHSA-N 0 3 196.319 2.497 10 0 AEAEHN CCC[C@](C)(N)c1cscn1 575572255 352735381 /nfs/dbraw/zinc/73/53/81/352735381.db2.gz QXAZLTMOAKZPED-QMMMGPOBSA-N 0 3 170.281 2.117 10 0 AEAEHN CCC[C@@](C)(N)c1cscn1 575572254 352735490 /nfs/dbraw/zinc/73/54/90/352735490.db2.gz QXAZLTMOAKZPED-MRVPVSSYSA-N 0 3 170.281 2.117 10 0 AEAEHN C[C@H](CF)N[C@H]1C=CCCC1 575572435 352735890 /nfs/dbraw/zinc/73/58/90/352735890.db2.gz VJNUAKYFEJYEAM-BDAKNGLRSA-N 0 3 157.232 2.043 10 0 AEAEHN C[C@@H]1C[C@@](N)(c2cccs2)[C@@H](C)O1 575572300 352735965 /nfs/dbraw/zinc/73/59/65/352735965.db2.gz RDAKSSMIIYIDPW-MRTMQBJTSA-N 0 3 197.303 2.099 10 0 AEAEHN Cc1cc([C@](C)(N)[C@H]2C[C@H]2C)sn1 575572284 352735915 /nfs/dbraw/zinc/73/59/15/352735915.db2.gz ZZJMGDVYZCHEBG-KDILMLJESA-N 0 3 196.319 2.281 10 0 AEAEHN C[C@@H]1O[C@H](C)C[C@]1(N)c1cccs1 575572290 352736017 /nfs/dbraw/zinc/73/60/17/352736017.db2.gz RDAKSSMIIYIDPW-KHQFGBGNSA-N 0 3 197.303 2.099 10 0 AEAEHN Cc1cc([C@](C)(N)[C@@H]2C[C@H]2C)sn1 575572281 352735926 /nfs/dbraw/zinc/73/59/26/352735926.db2.gz ZZJMGDVYZCHEBG-GTNGPMTGSA-N 0 3 196.319 2.281 10 0 AEAEHN C[C@@H](CF)N[C@@H]1C=CCCC1 575572436 352735980 /nfs/dbraw/zinc/73/59/80/352735980.db2.gz VJNUAKYFEJYEAM-DTWKUNHWSA-N 0 3 157.232 2.043 10 0 AEAEHN C[C@H](CF)N[C@@H]1C=CCCC1 575572438 352735991 /nfs/dbraw/zinc/73/59/91/352735991.db2.gz VJNUAKYFEJYEAM-RKDXNWHRSA-N 0 3 157.232 2.043 10 0 AEAEHN C[C@@H]1O[C@H](C)C[C@@]1(N)c1cccs1 575572302 352736053 /nfs/dbraw/zinc/73/60/53/352736053.db2.gz RDAKSSMIIYIDPW-WEDXCCLWSA-N 0 3 197.303 2.099 10 0 AEAEHN Cc1cc([C@](C)(N)[C@H]2C[C@@H]2C)sn1 575572283 352736061 /nfs/dbraw/zinc/73/60/61/352736061.db2.gz ZZJMGDVYZCHEBG-KADJCCMJSA-N 0 3 196.319 2.281 10 0 AEAEHN C[C@@H](CF)N[C@H]1C=CCCC1 575572437 352736077 /nfs/dbraw/zinc/73/60/77/352736077.db2.gz VJNUAKYFEJYEAM-IUCAKERBSA-N 0 3 157.232 2.043 10 0 AEAEHN C[C@@H]1C[C@](N)(c2cccs2)[C@@H](C)O1 575572301 352736189 /nfs/dbraw/zinc/73/61/89/352736189.db2.gz RDAKSSMIIYIDPW-NQMVMOMDSA-N 0 3 197.303 2.099 10 0 AEAEHN Cc1cc([C@](C)(N)[C@@H]2C[C@@H]2C)sn1 575572285 352736215 /nfs/dbraw/zinc/73/62/15/352736215.db2.gz ZZJMGDVYZCHEBG-SKWCMTHISA-N 0 3 196.319 2.281 10 0 AEAEHN C[C@H]1C[C@@](N)(c2cccs2)CS1 575572886 352738551 /nfs/dbraw/zinc/73/85/51/352738551.db2.gz RMUYUHGBFUIHLB-CBAPKCEASA-N 0 3 199.344 2.428 10 0 AEAEHN C[C@@H]1C[C@](N)(c2cccs2)CS1 575572888 352738643 /nfs/dbraw/zinc/73/86/43/352738643.db2.gz RMUYUHGBFUIHLB-VXNVDRBHSA-N 0 3 199.344 2.428 10 0 AEAEHN C[C@H]1C[C@](N)(c2cccs2)CS1 575572887 352738755 /nfs/dbraw/zinc/73/87/55/352738755.db2.gz RMUYUHGBFUIHLB-IONNQARKSA-N 0 3 199.344 2.428 10 0 AEAEHN C[C@@H]1C[C@@](N)(c2cccs2)CS1 575572885 352738890 /nfs/dbraw/zinc/73/88/90/352738890.db2.gz RMUYUHGBFUIHLB-APPZFPTMSA-N 0 3 199.344 2.428 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1cnsc1 575573135 352740155 /nfs/dbraw/zinc/74/01/55/352740155.db2.gz TUVCRFXWPRXANN-YEPSODPASA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1cnsc1 575573132 352740362 /nfs/dbraw/zinc/74/03/62/352740362.db2.gz TUVCRFXWPRXANN-BWVDBABLSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1cnsc1 575573133 352740368 /nfs/dbraw/zinc/74/03/68/352740368.db2.gz TUVCRFXWPRXANN-FTLITQJKSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1cnsc1 575573134 352740469 /nfs/dbraw/zinc/74/04/69/352740469.db2.gz TUVCRFXWPRXANN-VDAHYXPESA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1cscn1 575573614 352742307 /nfs/dbraw/zinc/74/23/07/352742307.db2.gz XCJNSBVKPOABFG-VDAHYXPESA-N 0 3 182.292 2.189 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@@]1(C)C[C@@H]1C 575573682 352742321 /nfs/dbraw/zinc/74/23/21/352742321.db2.gz XNVLQDIWMKYGNK-JUWDTYFHSA-N 0 3 196.319 2.497 10 0 AEAEHN CCC[C@@](C)(N)c1ccsn1 575573600 352742361 /nfs/dbraw/zinc/74/23/61/352742361.db2.gz YSELNFYBIBZLBN-MRVPVSSYSA-N 0 3 170.281 2.117 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@]1(C)C[C@H]1C 575573684 352742399 /nfs/dbraw/zinc/74/23/99/352742399.db2.gz XNVLQDIWMKYGNK-WHFVKQHSSA-N 0 3 196.319 2.497 10 0 AEAEHN CCC[C@](C)(N)c1ccsn1 575573602 352742426 /nfs/dbraw/zinc/74/24/26/352742426.db2.gz YSELNFYBIBZLBN-QMMMGPOBSA-N 0 3 170.281 2.117 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1cscn1 575573615 352742452 /nfs/dbraw/zinc/74/24/52/352742452.db2.gz XCJNSBVKPOABFG-YEPSODPASA-N 0 3 182.292 2.189 10 0 AEAEHN N[C@]1(c2ccccc2F)CCSC1 575573690 352742471 /nfs/dbraw/zinc/74/24/71/352742471.db2.gz XROSXXFTTRWUCE-SNVBAGLBSA-N 0 3 197.278 2.117 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1cscn1 575573612 352742507 /nfs/dbraw/zinc/74/25/07/352742507.db2.gz XCJNSBVKPOABFG-BWVDBABLSA-N 0 3 182.292 2.189 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@@]1(C)C[C@H]1C 575573683 352742516 /nfs/dbraw/zinc/74/25/16/352742516.db2.gz XNVLQDIWMKYGNK-UASFKTIASA-N 0 3 196.319 2.497 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1cscn1 575573613 352742556 /nfs/dbraw/zinc/74/25/56/352742556.db2.gz XCJNSBVKPOABFG-FTLITQJKSA-N 0 3 182.292 2.189 10 0 AEAEHN N[C@@]1(c2ccccc2F)CCSC1 575573689 352742567 /nfs/dbraw/zinc/74/25/67/352742567.db2.gz XROSXXFTTRWUCE-JTQLQIEISA-N 0 3 197.278 2.117 10 0 AEAEHN Cc1ncsc1[C@H](N)[C@]1(C)C[C@@H]1C 575573681 352742619 /nfs/dbraw/zinc/74/26/19/352742619.db2.gz XNVLQDIWMKYGNK-JMOVZRAMSA-N 0 3 196.319 2.497 10 0 AEAEHN CC1(C)CN[C@H]1c1cncc(Cl)c1 575573712 352742987 /nfs/dbraw/zinc/74/29/87/352742987.db2.gz XVQACWFFPXQHRC-VIFPVBQESA-N 0 3 196.681 2.406 10 0 AEAEHN C[C@@H]1O[C@H](C)C[C@@]1(N)c1ccsc1 575573735 352743131 /nfs/dbraw/zinc/74/31/31/352743131.db2.gz ZONJDUWZYNVJSD-WEDXCCLWSA-N 0 3 197.303 2.099 10 0 AEAEHN CC1(C)CN[C@@H]1c1cncc(Cl)c1 575573708 352743152 /nfs/dbraw/zinc/74/31/52/352743152.db2.gz XVQACWFFPXQHRC-SECBINFHSA-N 0 3 196.681 2.406 10 0 AEAEHN C[C@@H]1C[C@@](N)(c2ccsc2)[C@@H](C)O1 575573733 352743201 /nfs/dbraw/zinc/74/32/01/352743201.db2.gz ZONJDUWZYNVJSD-MRTMQBJTSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1O[C@H](C)C[C@]1(N)c1ccsc1 575573711 352743242 /nfs/dbraw/zinc/74/32/42/352743242.db2.gz ZONJDUWZYNVJSD-KHQFGBGNSA-N 0 3 197.303 2.099 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1ccns1 575573887 352743848 /nfs/dbraw/zinc/74/38/48/352743848.db2.gz ZQMFPVHCTPCYHB-BWVDBABLSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1ccns1 575573889 352743886 /nfs/dbraw/zinc/74/38/86/352743886.db2.gz ZQMFPVHCTPCYHB-VDAHYXPESA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1ccns1 575573888 352743945 /nfs/dbraw/zinc/74/39/45/352743945.db2.gz ZQMFPVHCTPCYHB-FTLITQJKSA-N 0 3 182.292 2.189 10 0 AEAEHN Cc1csc([C@@H](N)[C@H]2CC2(C)C)n1 575574472 352745747 /nfs/dbraw/zinc/74/57/47/352745747.db2.gz VOEMZJWLECHSAP-SFYZADRCSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1csc([C@@H](N)[C@@H]2CC2(C)C)n1 575574473 352745829 /nfs/dbraw/zinc/74/58/29/352745829.db2.gz VOEMZJWLECHSAP-YUMQZZPRSA-N 0 3 196.319 2.497 10 0 AEAEHN CCC(C)(C)[C@@](C)(F)CN 575574457 352745875 /nfs/dbraw/zinc/74/58/75/352745875.db2.gz UJXCAUABFKAREB-QMMMGPOBSA-N 0 3 147.237 2.110 10 0 AEAEHN CCC(C)(C)[C@](C)(F)CN 575574456 352746048 /nfs/dbraw/zinc/74/60/48/352746048.db2.gz UJXCAUABFKAREB-MRVPVSSYSA-N 0 3 147.237 2.110 10 0 AEAEHN Cc1csc([C@H](N)[C@H]2CC2(C)C)n1 575574470 352746071 /nfs/dbraw/zinc/74/60/71/352746071.db2.gz VOEMZJWLECHSAP-HTQZYQBOSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1csc([C@H](N)[C@@H]2CC2(C)C)n1 575574471 352746107 /nfs/dbraw/zinc/74/61/07/352746107.db2.gz VOEMZJWLECHSAP-JGVFFNPUSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1ncc([C@@](C)(N)C2(C)CC2)s1 575574894 352748543 /nfs/dbraw/zinc/74/85/43/352748543.db2.gz AJDOCYKPSRHFDH-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@](C)(N)C2(C)CC2)sn1 575575004 352748566 /nfs/dbraw/zinc/74/85/66/352748566.db2.gz BQMINDITESGBIH-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1cc([C@@](C)(N)C2(C)CC2)sn1 575575005 352748710 /nfs/dbraw/zinc/74/87/10/352748710.db2.gz BQMINDITESGBIH-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncc([C@](C)(N)C2(C)CC2)s1 575574892 352748976 /nfs/dbraw/zinc/74/89/76/352748976.db2.gz AJDOCYKPSRHFDH-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN CN1CCCC[C@H]1C1=NC(=O)CS1 575575021 352749257 /nfs/dbraw/zinc/74/92/57/352749257.db2.gz REFWSYVJRKHWHG-ZETCQYMHSA-N 0 3 198.291 2.006 10 0 AEAEHN CN1CCCC[C@@H]1C1=NC(=O)CS1 575575017 352749526 /nfs/dbraw/zinc/74/95/26/352749526.db2.gz REFWSYVJRKHWHG-SSDOTTSWSA-N 0 3 198.291 2.006 10 0 AEAEHN Cc1ncsc1[C@@](C)(N)C1(C)CC1 575575208 352749983 /nfs/dbraw/zinc/74/99/83/352749983.db2.gz DUVZSDGLQGNPAC-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1ncsc1[C@](C)(N)C1(C)CC1 575575207 352750293 /nfs/dbraw/zinc/75/02/93/352750293.db2.gz DUVZSDGLQGNPAC-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN CC1([C@](C)(N)c2ccsn2)CC1 575575304 352750763 /nfs/dbraw/zinc/75/07/63/352750763.db2.gz FSHDJNLXRDZLKZ-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1([C@@](C)(N)c2ccsn2)CC1 575575307 352751120 /nfs/dbraw/zinc/75/11/20/352751120.db2.gz FSHDJNLXRDZLKZ-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CC(=O)[C@@H](C)N1CCCC[C@@H](C)C1 575575838 352753831 /nfs/dbraw/zinc/75/38/31/352753831.db2.gz NVZXDWUKJVCXPS-NXEZZACHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC1([C@@](C)(N)c2cscn2)CC1 575575846 352753934 /nfs/dbraw/zinc/75/39/34/352753934.db2.gz JMDARXUSEIOJHB-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CC1([C@](C)(N)c2cscn2)CC1 575575843 352754036 /nfs/dbraw/zinc/75/40/36/352754036.db2.gz JMDARXUSEIOJHB-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC(=O)[C@@H](C)N1CCCC[C@H](C)C1 575575842 352754087 /nfs/dbraw/zinc/75/40/87/352754087.db2.gz NVZXDWUKJVCXPS-VHSXEESVSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N1CCCC[C@H](C)C1 575575841 352754123 /nfs/dbraw/zinc/75/41/23/352754123.db2.gz NVZXDWUKJVCXPS-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N1CCCC[C@@H](C)C1 575575845 352754150 /nfs/dbraw/zinc/75/41/50/352754150.db2.gz NVZXDWUKJVCXPS-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CC1([C@@](C)(N)c2ccns2)CC1 575576136 352755386 /nfs/dbraw/zinc/75/53/86/352755386.db2.gz KXEJWLNJICWDGD-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CC1([C@](C)(N)c2ccns2)CC1 575576135 352755457 /nfs/dbraw/zinc/75/54/57/352755457.db2.gz KXEJWLNJICWDGD-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)OCC[C@]1(N)c1cccs1 575576231 352755712 /nfs/dbraw/zinc/75/57/12/352755712.db2.gz LLNAMYDXSQDZFZ-JTQLQIEISA-N 0 3 197.303 2.101 10 0 AEAEHN CC1(C)OCC[C@@]1(N)c1ccsc1 575576609 352757390 /nfs/dbraw/zinc/75/73/90/352757390.db2.gz MUKKEXRKPJQRTM-SNVBAGLBSA-N 0 3 197.303 2.101 10 0 AEAEHN CC1(C)OCC[C@]1(N)c1ccsc1 575576606 352757409 /nfs/dbraw/zinc/75/74/09/352757409.db2.gz MUKKEXRKPJQRTM-JTQLQIEISA-N 0 3 197.303 2.101 10 0 AEAEHN CC(C)(C)[C@@](C)(N)c1ccsn1 575577248 352760545 /nfs/dbraw/zinc/76/05/45/352760545.db2.gz OVTHBIUUQBIHLA-VIFPVBQESA-N 0 3 184.308 2.363 10 0 AEAEHN C[C@@H]1C[C@]1(C)NC/C=C/Cl 575577252 352760563 /nfs/dbraw/zinc/76/05/63/352760563.db2.gz OWQJQYVFWLVFTR-ZGNIKFQOSA-N 0 3 159.660 2.127 10 0 AEAEHN C[C@@H]1C[C@@]1(C)NC/C=C/Cl 575577249 352760570 /nfs/dbraw/zinc/76/05/70/352760570.db2.gz OWQJQYVFWLVFTR-ATXJSMISSA-N 0 3 159.660 2.127 10 0 AEAEHN C[C@H]1C[C@@]1(C)NC/C=C/Cl 575577251 352760579 /nfs/dbraw/zinc/76/05/79/352760579.db2.gz OWQJQYVFWLVFTR-XMYQNILUSA-N 0 3 159.660 2.127 10 0 AEAEHN C[C@H]1C[C@]1(C)NC/C=C/Cl 575577250 352760793 /nfs/dbraw/zinc/76/07/93/352760793.db2.gz OWQJQYVFWLVFTR-HENSLRDNSA-N 0 3 159.660 2.127 10 0 AEAEHN CC(C)(C)[C@](C)(N)c1ccsn1 575577247 352760809 /nfs/dbraw/zinc/76/08/09/352760809.db2.gz OVTHBIUUQBIHLA-SECBINFHSA-N 0 3 184.308 2.363 10 0 AEAEHN CC1([C@](C)(N)c2cnsc2)CC1 575577817 352763729 /nfs/dbraw/zinc/76/37/29/352763729.db2.gz RDKUPIRHMVBZIR-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1([C@@](C)(N)c2cnsc2)CC1 575577818 352763920 /nfs/dbraw/zinc/76/39/20/352763920.db2.gz RDKUPIRHMVBZIR-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CC[C@@H]1C[C@@](N)(c2cccs2)CO1 575578331 352766707 /nfs/dbraw/zinc/76/67/07/352766707.db2.gz USSJTOIWIJLHNS-SCZZXKLOSA-N 0 3 197.303 2.101 10 0 AEAEHN CC[C@@H]1C[C@](N)(c2cccs2)CO1 575578330 352766963 /nfs/dbraw/zinc/76/69/63/352766963.db2.gz USSJTOIWIJLHNS-PSASIEDQSA-N 0 3 197.303 2.101 10 0 AEAEHN CC[C@H]1C[C@@](N)(c2cccs2)CO1 575578333 352767067 /nfs/dbraw/zinc/76/70/67/352767067.db2.gz USSJTOIWIJLHNS-WPRPVWTQSA-N 0 3 197.303 2.101 10 0 AEAEHN CC[C@H]1C[C@](N)(c2cccs2)CO1 575578332 352767338 /nfs/dbraw/zinc/76/73/38/352767338.db2.gz USSJTOIWIJLHNS-WCBMZHEXSA-N 0 3 197.303 2.101 10 0 AEAEHN CC[C@@H]1C[C@@](N)(c2ccsc2)CO1 575578953 352769850 /nfs/dbraw/zinc/76/98/50/352769850.db2.gz VKKLOOCCHUIJGP-ZJUUUORDSA-N 0 3 197.303 2.101 10 0 AEAEHN CC[C@H]1C[C@](N)(c2ccsc2)CO1 575578952 352769958 /nfs/dbraw/zinc/76/99/58/352769958.db2.gz VKKLOOCCHUIJGP-VHSXEESVSA-N 0 3 197.303 2.101 10 0 AEAEHN CC[C@H]1C[C@@](N)(c2ccsc2)CO1 575578947 352770017 /nfs/dbraw/zinc/77/00/17/352770017.db2.gz VKKLOOCCHUIJGP-UWVGGRQHSA-N 0 3 197.303 2.101 10 0 AEAEHN CC[C@@H]1C[C@](N)(c2ccsc2)CO1 575578945 352770142 /nfs/dbraw/zinc/77/01/42/352770142.db2.gz VKKLOOCCHUIJGP-NXEZZACHSA-N 0 3 197.303 2.101 10 0 AEAEHN Cc1nc([C@](C)(N)C2(C)CC2)cs1 575579097 352770711 /nfs/dbraw/zinc/77/07/11/352770711.db2.gz WPEIFKSFWXZWJN-JTQLQIEISA-N 0 3 196.319 2.426 10 0 AEAEHN Cc1nc([C@@](C)(N)C2(C)CC2)cs1 575579098 352770753 /nfs/dbraw/zinc/77/07/53/352770753.db2.gz WPEIFKSFWXZWJN-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN CC(C)(C)[C@](C)(N)c1cnsc1 575579143 352770936 /nfs/dbraw/zinc/77/09/36/352770936.db2.gz KBSYPBQEAYSVOF-SECBINFHSA-N 0 3 184.308 2.363 10 0 AEAEHN CC1([C@](C)(N)c2cncs2)CC1 575579702 352772685 /nfs/dbraw/zinc/77/26/85/352772685.db2.gz YODFZEDJNPOXPV-SECBINFHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC1([C@@](C)(N)c2cncs2)CC1 575579703 352772966 /nfs/dbraw/zinc/77/29/66/352772966.db2.gz YODFZEDJNPOXPV-VIFPVBQESA-N 0 3 182.292 2.117 10 0 AEAEHN CC1(C)C[C@H]1[C@H]1NCCCS1 575580594 352777667 /nfs/dbraw/zinc/77/76/67/352777667.db2.gz FDBHGODVUFAPJQ-YUMQZZPRSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1CN[C@H]([C@H]2CC2(C)C)SC1 575580514 352777672 /nfs/dbraw/zinc/77/76/72/352777672.db2.gz CQFPEYQOYNMBGX-HLTSFMKQSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@@H]1CN[C@@H]([C@@H]2CC2(C)C)SC1 575580515 352777678 /nfs/dbraw/zinc/77/76/78/352777678.db2.gz CQFPEYQOYNMBGX-HRDYMLBCSA-N 0 3 185.336 2.331 10 0 AEAEHN C[C@@H]1CN[C@@H]([C@H]2CC2(C)C)SC1 575580516 352777876 /nfs/dbraw/zinc/77/78/76/352777876.db2.gz CQFPEYQOYNMBGX-IWSPIJDZSA-N 0 3 185.336 2.331 10 0 AEAEHN CC1(C)C[C@@H]1[C@H]1NCCCS1 575580593 352777939 /nfs/dbraw/zinc/77/79/39/352777939.db2.gz FDBHGODVUFAPJQ-SFYZADRCSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1CN[C@H]([C@@H]2CC2(C)C)SC1 575580517 352777967 /nfs/dbraw/zinc/77/79/67/352777967.db2.gz CQFPEYQOYNMBGX-VGMNWLOBSA-N 0 3 185.336 2.331 10 0 AEAEHN CC1(C)C[C@H]1[C@@H]1NCCCS1 575580592 352777996 /nfs/dbraw/zinc/77/79/96/352777996.db2.gz FDBHGODVUFAPJQ-JGVFFNPUSA-N 0 3 171.309 2.085 10 0 AEAEHN CC1(C)C[C@@H]1[C@@H]1NCCCS1 575580591 352778393 /nfs/dbraw/zinc/77/83/93/352778393.db2.gz FDBHGODVUFAPJQ-HTQZYQBOSA-N 0 3 171.309 2.085 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@H]2CC23CC3)S1 575580711 352778634 /nfs/dbraw/zinc/77/86/34/352778634.db2.gz FSPJLQMEDBZOFI-HLTSFMKQSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CCN[C@@H]([C@H]2CC23CC3)S1 575580713 352778690 /nfs/dbraw/zinc/77/86/90/352778690.db2.gz FSPJLQMEDBZOFI-IWSPIJDZSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@@H]2CC23CC3)S1 575580714 352778870 /nfs/dbraw/zinc/77/88/70/352778870.db2.gz FSPJLQMEDBZOFI-VGMNWLOBSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CS[C@H]([C@H]2CC2(C)C)N1 575580766 352779485 /nfs/dbraw/zinc/77/94/85/352779485.db2.gz GTDREKLZANUYAH-BWZBUEFSSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CS[C@@H]([C@H]2CC2(C)C)N1 575580769 352779519 /nfs/dbraw/zinc/77/95/19/352779519.db2.gz GTDREKLZANUYAH-PRJMDXOYSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CS[C@@H]([C@@H]2CC2(C)C)N1 575580767 352779779 /nfs/dbraw/zinc/77/97/79/352779779.db2.gz GTDREKLZANUYAH-CSMHCCOUSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CS[C@H]([C@@H]2CC2(C)C)N1 575580768 352779826 /nfs/dbraw/zinc/77/98/26/352779826.db2.gz GTDREKLZANUYAH-GJMOJQLCSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CCS[C@H]([C@@H]2C[C@H]2C)N1 575580978 352780227 /nfs/dbraw/zinc/78/02/27/352780227.db2.gz JBCBWOMQHRNGDT-FNCVBFRFSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CCS[C@H]([C@@H]2CC2(C)C)N1 575580949 352780237 /nfs/dbraw/zinc/78/02/37/352780237.db2.gz IGLAMCVPLYIWIN-HRDYMLBCSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCS[C@@H]([C@H]2CC2(C)C)N1 575580948 352780250 /nfs/dbraw/zinc/78/02/50/352780250.db2.gz IGLAMCVPLYIWIN-HLTSFMKQSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCS[C@@H]([C@@H]2CC23CC3)N1 575580963 352780256 /nfs/dbraw/zinc/78/02/56/352780256.db2.gz IKHKJHQOZDJGKM-VGMNWLOBSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CCS[C@@H]([C@H]2CC23CC3)N1 575580960 352780277 /nfs/dbraw/zinc/78/02/77/352780277.db2.gz IKHKJHQOZDJGKM-HLTSFMKQSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CCS[C@@H]([C@@H]2CC2(C)C)N1 575580951 352780326 /nfs/dbraw/zinc/78/03/26/352780326.db2.gz IGLAMCVPLYIWIN-VGMNWLOBSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1C[C@@H]1[C@@H]1N[C@H](C)CCS1 575580981 352780351 /nfs/dbraw/zinc/78/03/51/352780351.db2.gz JBCBWOMQHRNGDT-UYXSQOIJSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CCS[C@H]([C@H]2CC23CC3)N1 575580962 352780447 /nfs/dbraw/zinc/78/04/47/352780447.db2.gz IKHKJHQOZDJGKM-IWSPIJDZSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@@H]1CCS[C@H]([C@@H]2CC23CC3)N1 575580961 352780640 /nfs/dbraw/zinc/78/06/40/352780640.db2.gz IKHKJHQOZDJGKM-HRDYMLBCSA-N 0 3 183.320 2.228 10 0 AEAEHN C[C@H]1C[C@H]1[C@@H]1N[C@H](C)CCS1 575580979 352780712 /nfs/dbraw/zinc/78/07/12/352780712.db2.gz JBCBWOMQHRNGDT-JQCXWYLXSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@@H]1CCS[C@H]([C@H]2CC2(C)C)N1 575580950 352780722 /nfs/dbraw/zinc/78/07/22/352780722.db2.gz IGLAMCVPLYIWIN-IWSPIJDZSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCS[C@H]([C@H]2C[C@H]2C)N1 575580980 352780757 /nfs/dbraw/zinc/78/07/57/352780757.db2.gz JBCBWOMQHRNGDT-LURQLKTLSA-N 0 3 171.309 2.084 10 0 AEAEHN Cc1nc([C@H](N)[C@@H]2C[C@H]2C)sc1C 575581231 352780990 /nfs/dbraw/zinc/78/09/90/352780990.db2.gz MCWNBVPRGYAXPF-JISRMSBWSA-N 0 3 196.319 2.416 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@@H]2C[C@H]2C)S1 575581179 352781023 /nfs/dbraw/zinc/78/10/23/352781023.db2.gz LHXPMJLPUXMPPJ-BGZDPUMWSA-N 0 3 171.309 2.084 10 0 AEAEHN Cc1nc([C@H](N)[C@H]2C[C@H]2C)sc1C 575581230 352781046 /nfs/dbraw/zinc/78/10/46/352781046.db2.gz MCWNBVPRGYAXPF-HFHMMWAZSA-N 0 3 196.319 2.416 10 0 AEAEHN C[C@H]1C[C@@H]1[C@H]1NCC[C@@H](C)S1 575581182 352781129 /nfs/dbraw/zinc/78/11/29/352781129.db2.gz LHXPMJLPUXMPPJ-KZVJFYERSA-N 0 3 171.309 2.084 10 0 AEAEHN C[C@H]1C[C@H]1[C@H]1NCC[C@@H](C)S1 575581181 352781183 /nfs/dbraw/zinc/78/11/83/352781183.db2.gz LHXPMJLPUXMPPJ-KDXUFGMBSA-N 0 3 171.309 2.084 10 0 AEAEHN Cc1nc([C@H](N)[C@H]2C[C@@H]2C)sc1C 575581233 352781191 /nfs/dbraw/zinc/78/11/91/352781191.db2.gz MCWNBVPRGYAXPF-WLGLDCGKSA-N 0 3 196.319 2.416 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@H]2C[C@H]2C)S1 575581180 352781268 /nfs/dbraw/zinc/78/12/68/352781268.db2.gz LHXPMJLPUXMPPJ-HXFLIBJXSA-N 0 3 171.309 2.084 10 0 AEAEHN Cc1nc([C@H](N)[C@@H]2C[C@@H]2C)sc1C 575581232 352781306 /nfs/dbraw/zinc/78/13/06/352781306.db2.gz MCWNBVPRGYAXPF-LQQYEPNUSA-N 0 3 196.319 2.416 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@H]2CC2(C)C)S1 575581285 352781991 /nfs/dbraw/zinc/78/19/91/352781991.db2.gz NJGPISVYPHWEFS-HLTSFMKQSA-N 0 3 185.336 2.474 10 0 AEAEHN Cc1csc([C@H](N)[C@@H]2CC23CC3)n1 575581400 352781741 /nfs/dbraw/zinc/78/17/41/352781741.db2.gz PGXDDLMXNPUDIG-JGVFFNPUSA-N 0 3 194.303 2.251 10 0 AEAEHN C[C@@H]1CCN[C@@H]([C@@H]2CC2(C)C)S1 575581286 352781797 /nfs/dbraw/zinc/78/17/97/352781797.db2.gz NJGPISVYPHWEFS-HRDYMLBCSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CCN[C@H]([C@@H]2CC2(C)C)S1 575581288 352781841 /nfs/dbraw/zinc/78/18/41/352781841.db2.gz NJGPISVYPHWEFS-VGMNWLOBSA-N 0 3 185.336 2.474 10 0 AEAEHN Cc1csc([C@H](N)[C@H]2CC23CC3)n1 575581399 352781866 /nfs/dbraw/zinc/78/18/66/352781866.db2.gz PGXDDLMXNPUDIG-HTQZYQBOSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1csc([C@@H](N)[C@H]2CC23CC3)n1 575581401 352781897 /nfs/dbraw/zinc/78/18/97/352781897.db2.gz PGXDDLMXNPUDIG-SFYZADRCSA-N 0 3 194.303 2.251 10 0 AEAEHN Cc1csc([C@@H](N)[C@@H]2CC23CC3)n1 575581402 352781940 /nfs/dbraw/zinc/78/19/40/352781940.db2.gz PGXDDLMXNPUDIG-YUMQZZPRSA-N 0 3 194.303 2.251 10 0 AEAEHN C[C@@H]1CCN[C@@H]([C@H]2CC2(C)C)S1 575581287 352782220 /nfs/dbraw/zinc/78/22/20/352782220.db2.gz NJGPISVYPHWEFS-IWSPIJDZSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CN[C@H]([C@H]2CC23CC3)SC1 575581526 352782657 /nfs/dbraw/zinc/78/26/57/352782657.db2.gz SDVDWORUFFGGGT-HLTSFMKQSA-N 0 3 183.320 2.085 10 0 AEAEHN C[C@@H]1CN[C@H]([C@@H]2CC23CC3)SC1 575581529 352782904 /nfs/dbraw/zinc/78/29/04/352782904.db2.gz SDVDWORUFFGGGT-VGMNWLOBSA-N 0 3 183.320 2.085 10 0 AEAEHN C[C@@H]1CN[C@@H]([C@H]2CC23CC3)SC1 575581528 352783034 /nfs/dbraw/zinc/78/30/34/352783034.db2.gz SDVDWORUFFGGGT-IWSPIJDZSA-N 0 3 183.320 2.085 10 0 AEAEHN C[C@@H]1CN[C@@H]([C@@H]2CC23CC3)SC1 575581527 352783039 /nfs/dbraw/zinc/78/30/39/352783039.db2.gz SDVDWORUFFGGGT-HRDYMLBCSA-N 0 3 183.320 2.085 10 0 AEAEHN Cc1csc([C@H](N)[C@H]2C[C@@H]2C)n1 575581651 352783318 /nfs/dbraw/zinc/78/33/18/352783318.db2.gz UXCLFGKDNZVHKY-APQOSEDMSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1csc([C@H](N)[C@H]2C[C@H]2C)n1 575581653 352783329 /nfs/dbraw/zinc/78/33/29/352783329.db2.gz UXCLFGKDNZVHKY-MHSYXAOVSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1csc([C@H](N)[C@@H]2C[C@@H]2C)n1 575581654 352783597 /nfs/dbraw/zinc/78/35/97/352783597.db2.gz UXCLFGKDNZVHKY-UIISKDMLSA-N 0 3 182.292 2.107 10 0 AEAEHN Cc1csc([C@H](N)[C@@H]2C[C@H]2C)n1 575581652 352783747 /nfs/dbraw/zinc/78/37/47/352783747.db2.gz UXCLFGKDNZVHKY-LPBLVHEISA-N 0 3 182.292 2.107 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1cccnc1 575582910 352790608 /nfs/dbraw/zinc/79/06/08/352790608.db2.gz JAACXHGMTKSVEO-FBIMIBRVSA-N 0 3 176.263 2.128 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1cccnc1 575582909 352790621 /nfs/dbraw/zinc/79/06/21/352790621.db2.gz JAACXHGMTKSVEO-DVVUODLYSA-N 0 3 176.263 2.128 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1ccoc1 575583175 352792065 /nfs/dbraw/zinc/79/20/65/352792065.db2.gz KUWBEGFRYWZZHT-QNSHHTMESA-N 0 3 165.236 2.326 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1ccoc1 575583176 352792123 /nfs/dbraw/zinc/79/21/23/352792123.db2.gz KUWBEGFRYWZZHT-SZEHBUNVSA-N 0 3 165.236 2.326 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1ccoc1 575583173 352792134 /nfs/dbraw/zinc/79/21/34/352792134.db2.gz KUWBEGFRYWZZHT-FKTZTGRPSA-N 0 3 165.236 2.326 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1ccoc1 575583174 352792263 /nfs/dbraw/zinc/79/22/63/352792263.db2.gz KUWBEGFRYWZZHT-JEZHCXPESA-N 0 3 165.236 2.326 10 0 AEAEHN NCc1sccc1[C@@H]1CC12CC2 575583441 352792949 /nfs/dbraw/zinc/79/29/49/352792949.db2.gz KZUXMXJQVYAEST-QMMMGPOBSA-N 0 3 179.288 2.474 10 0 AEAEHN NCc1sccc1[C@H]1CC12CC2 575583440 352793095 /nfs/dbraw/zinc/79/30/95/352793095.db2.gz KZUXMXJQVYAEST-MRVPVSSYSA-N 0 3 179.288 2.474 10 0 AEAEHN Cc1cc([C@H](N)[C@]2(C)C[C@H]2C)sn1 575583576 352793594 /nfs/dbraw/zinc/79/35/94/352793594.db2.gz OEQMCWWSBLVNSK-WHFVKQHSSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1cc([C@H](N)[C@]2(C)C[C@@H]2C)sn1 575583573 352793630 /nfs/dbraw/zinc/79/36/30/352793630.db2.gz OEQMCWWSBLVNSK-JMOVZRAMSA-N 0 3 196.319 2.497 10 0 AEAEHN Cc1cc([C@H](N)[C@@]2(C)C[C@@H]2C)sn1 575583574 352793643 /nfs/dbraw/zinc/79/36/43/352793643.db2.gz OEQMCWWSBLVNSK-JUWDTYFHSA-N 0 3 196.319 2.497 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1ccc[nH]1 575583560 352793649 /nfs/dbraw/zinc/79/36/49/352793649.db2.gz NVHHRTIFFJDZEA-SZEHBUNVSA-N 0 3 164.252 2.061 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1ccc[nH]1 575583558 352793679 /nfs/dbraw/zinc/79/36/79/352793679.db2.gz NVHHRTIFFJDZEA-JEZHCXPESA-N 0 3 164.252 2.061 10 0 AEAEHN Cc1cc([C@H](N)[C@@]2(C)C[C@H]2C)sn1 575583575 352793907 /nfs/dbraw/zinc/79/39/07/352793907.db2.gz OEQMCWWSBLVNSK-UASFKTIASA-N 0 3 196.319 2.497 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1ccc[nH]1 575583557 352793916 /nfs/dbraw/zinc/79/39/16/352793916.db2.gz NVHHRTIFFJDZEA-FKTZTGRPSA-N 0 3 164.252 2.061 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1ccc[nH]1 575583559 352793940 /nfs/dbraw/zinc/79/39/40/352793940.db2.gz NVHHRTIFFJDZEA-QNSHHTMESA-N 0 3 164.252 2.061 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)C1=CCCCO1 575584333 352796581 /nfs/dbraw/zinc/79/65/81/352796581.db2.gz UQUHKMNAMUXEFH-DVVUODLYSA-N 0 3 181.279 2.054 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)C1=CCCCO1 575584334 352796600 /nfs/dbraw/zinc/79/66/00/352796600.db2.gz UQUHKMNAMUXEFH-FBIMIBRVSA-N 0 3 181.279 2.054 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)C1=CCCCO1 575584336 352797010 /nfs/dbraw/zinc/79/70/10/352797010.db2.gz UQUHKMNAMUXEFH-MIMYLULJSA-N 0 3 181.279 2.054 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)C1=CCCCO1 575584335 352797072 /nfs/dbraw/zinc/79/70/72/352797072.db2.gz UQUHKMNAMUXEFH-IEBDPFPHSA-N 0 3 181.279 2.054 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1ccsn1 575584878 352798979 /nfs/dbraw/zinc/79/89/79/352798979.db2.gz YIPAPIYWPGFDNN-FTLITQJKSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1ccsn1 575584879 352799203 /nfs/dbraw/zinc/79/92/03/352799203.db2.gz YIPAPIYWPGFDNN-VDAHYXPESA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1ccsn1 575584877 352799151 /nfs/dbraw/zinc/79/91/51/352799151.db2.gz YIPAPIYWPGFDNN-BWVDBABLSA-N 0 3 182.292 2.189 10 0 AEAEHN C[C@@H]1C[C@]1(C)[C@@H](N)c1ccsn1 575584880 352799372 /nfs/dbraw/zinc/79/93/72/352799372.db2.gz YIPAPIYWPGFDNN-YEPSODPASA-N 0 3 182.292 2.189 10 0 AEAEHN N[C@@]1(c2ccsn2)CCCC12CC2 575586558 352808213 /nfs/dbraw/zinc/80/82/13/352808213.db2.gz ABNZAMFPISCMHX-SNVBAGLBSA-N 0 3 194.303 2.261 10 0 AEAEHN N[C@]1(c2ccsn2)CCCC12CC2 575586557 352808295 /nfs/dbraw/zinc/80/82/95/352808295.db2.gz ABNZAMFPISCMHX-JTQLQIEISA-N 0 3 194.303 2.261 10 0 AEAEHN Cc1csc([C@]2(C)[C@H](N)C2(C)C)n1 575587123 352810249 /nfs/dbraw/zinc/81/02/49/352810249.db2.gz BHBHJARVVLORFM-XCBNKYQSSA-N 0 3 196.319 2.076 10 0 AEAEHN Cc1csc([C@@]2(C)[C@@H](N)C2(C)C)n1 575587122 352810492 /nfs/dbraw/zinc/81/04/92/352810492.db2.gz BHBHJARVVLORFM-OIBJUYFYSA-N 0 3 196.319 2.076 10 0 AEAEHN Cc1csc([C@@]2(C)[C@H](N)C2(C)C)n1 575587116 352810509 /nfs/dbraw/zinc/81/05/09/352810509.db2.gz BHBHJARVVLORFM-GMSGAONNSA-N 0 3 196.319 2.076 10 0 AEAEHN Cc1csc([C@]2(C)[C@@H](N)C2(C)C)n1 575587124 352810596 /nfs/dbraw/zinc/81/05/96/352810596.db2.gz BHBHJARVVLORFM-XVKPBYJWSA-N 0 3 196.319 2.076 10 0 AEAEHN Cc1c(Cl)ccc2c1O[C@@H](C)[C@H]2N 575587843 352814049 /nfs/dbraw/zinc/81/40/49/352814049.db2.gz NPPXRJCHZIKQNI-IMTBSYHQSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1c(Cl)ccc2c1O[C@H](C)[C@@H]2N 575587850 352814176 /nfs/dbraw/zinc/81/41/76/352814176.db2.gz NPPXRJCHZIKQNI-MUWHJKNJSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1c(Cl)ccc2c1O[C@@H](C)[C@@H]2N 575587851 352814208 /nfs/dbraw/zinc/81/42/08/352814208.db2.gz NPPXRJCHZIKQNI-RCOVLWMOSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1c(Cl)ccc2c1O[C@H](C)[C@H]2N 575587833 352814266 /nfs/dbraw/zinc/81/42/66/352814266.db2.gz NPPXRJCHZIKQNI-HZGVNTEJSA-N 0 3 197.665 2.429 10 0 AEAEHN CN[C@H]1COc2c1ccc(Cl)c2C 575587906 352814953 /nfs/dbraw/zinc/81/49/53/352814953.db2.gz OEZSJVWGETVDOU-VIFPVBQESA-N 0 3 197.665 2.301 10 0 AEAEHN CN[C@@H]1COc2c1ccc(Cl)c2C 575587905 352815180 /nfs/dbraw/zinc/81/51/80/352815180.db2.gz OEZSJVWGETVDOU-SECBINFHSA-N 0 3 197.665 2.301 10 0 AEAEHN C/C=C/[C@H](N)c1cocc1C 575588955 352820422 /nfs/dbraw/zinc/82/04/22/352820422.db2.gz KXERCOHELVOWQU-NWALNABHSA-N 0 3 151.209 2.164 10 0 AEAEHN C/C=C/[C@@H](N)c1cocc1C 575588954 352820513 /nfs/dbraw/zinc/82/05/13/352820513.db2.gz KXERCOHELVOWQU-CDAZIORVSA-N 0 3 151.209 2.164 10 0 AEAEHN Cc1ccc([C@@H](N)[C@@H]2CC23CC3)o1 575589449 352822843 /nfs/dbraw/zinc/82/28/43/352822843.db2.gz FKQOEILOEISNQR-WPRPVWTQSA-N 0 3 177.247 2.388 10 0 AEAEHN Cc1ccc([C@@H](N)[C@H]2CC23CC3)o1 575589446 352822886 /nfs/dbraw/zinc/82/28/86/352822886.db2.gz FKQOEILOEISNQR-SCZZXKLOSA-N 0 3 177.247 2.388 10 0 AEAEHN Cc1ccc([C@H](N)[C@H]2CC23CC3)o1 575589443 352823132 /nfs/dbraw/zinc/82/31/32/352823132.db2.gz FKQOEILOEISNQR-PSASIEDQSA-N 0 3 177.247 2.388 10 0 AEAEHN Cc1ccc([C@H](N)[C@@H]2CC23CC3)o1 575589448 352823229 /nfs/dbraw/zinc/82/32/29/352823229.db2.gz FKQOEILOEISNQR-WCBMZHEXSA-N 0 3 177.247 2.388 10 0 AEAEHN CC1(C)C[C@]1(N)c1ccncc1Cl 575589853 352825208 /nfs/dbraw/zinc/82/52/08/352825208.db2.gz HMFMPDPBHFMNOM-JTQLQIEISA-N 0 3 196.681 2.319 10 0 AEAEHN CC1(C)C[C@@]1(N)c1ccncc1Cl 575589854 352825726 /nfs/dbraw/zinc/82/57/26/352825726.db2.gz HMFMPDPBHFMNOM-SNVBAGLBSA-N 0 3 196.681 2.319 10 0 AEAEHN NCc1csc2c1C1(CC2)CC1 575590496 352828064 /nfs/dbraw/zinc/82/80/64/352828064.db2.gz HJASNOBKHVOBGN-UHFFFAOYSA-N 0 3 179.288 2.185 10 0 AEAEHN CC1(C)C[C@]1(N)c1ccc(Cl)cn1 575592245 352836356 /nfs/dbraw/zinc/83/63/56/352836356.db2.gz SMQSRUKUGXWPQB-JTQLQIEISA-N 0 3 196.681 2.319 10 0 AEAEHN CC1(C)C[C@@]1(N)c1ccc(Cl)cn1 575592254 352837618 /nfs/dbraw/zinc/83/76/18/352837618.db2.gz SMQSRUKUGXWPQB-SNVBAGLBSA-N 0 3 196.681 2.319 10 0 AEAEHN CC(C)(C)C(C)(C)[C@@H]1CNCCO1 575602681 352866123 /nfs/dbraw/zinc/86/61/23/352866123.db2.gz UMHJEXNGYOYCIK-VIFPVBQESA-N 0 3 185.311 2.047 10 0 AEAEHN CC(C)(C)C(C)(C)[C@H]1CNCCO1 575602680 352866353 /nfs/dbraw/zinc/86/63/53/352866353.db2.gz UMHJEXNGYOYCIK-SECBINFHSA-N 0 3 185.311 2.047 10 0 AEAEHN NCC1(F)C2CC3CC(C2)CC1C3 575622458 352867466 /nfs/dbraw/zinc/86/74/66/352867466.db2.gz LYWMJOHCRTWHTR-UHFFFAOYSA-N 0 3 183.270 2.110 10 0 AEAEHN C[C@@H](c1ccccc1)[C@@H](F)CN 575623150 352867576 /nfs/dbraw/zinc/86/75/76/352867576.db2.gz IHUQLKTWSZYZMN-WPRPVWTQSA-N 0 3 167.227 2.087 10 0 AEAEHN C[C@H](c1ccccc1)[C@H](F)CN 575623147 352867594 /nfs/dbraw/zinc/86/75/94/352867594.db2.gz IHUQLKTWSZYZMN-PSASIEDQSA-N 0 3 167.227 2.087 10 0 AEAEHN C[C@H](c1ccccc1)[C@@H](F)CN 575623148 352867735 /nfs/dbraw/zinc/86/77/35/352867735.db2.gz IHUQLKTWSZYZMN-SCZZXKLOSA-N 0 3 167.227 2.087 10 0 AEAEHN C[C@@H](c1ccccc1)[C@H](F)CN 575623149 352867773 /nfs/dbraw/zinc/86/77/73/352867773.db2.gz IHUQLKTWSZYZMN-WCBMZHEXSA-N 0 3 167.227 2.087 10 0 AEAEHN CCc1cc(OC)c(CN)cc1C 575725281 352903484 /nfs/dbraw/zinc/90/34/84/352903484.db2.gz JMBWKZBKGJUTJC-UHFFFAOYSA-N 0 3 179.263 2.025 10 0 AEAEHN CCc1cc(C)cc(CN)c1OC 575725725 352903606 /nfs/dbraw/zinc/90/36/06/352903606.db2.gz MULYLTUZJJKRFO-UHFFFAOYSA-N 0 3 179.263 2.025 10 0 AEAEHN CCc1c(C)ccc(OC)c1CN 575725631 352903819 /nfs/dbraw/zinc/90/38/19/352903819.db2.gz LRQHFKVIKFMHLS-UHFFFAOYSA-N 0 3 179.263 2.025 10 0 AEAEHN CCc1cc(C)cc(OC)c1CN 575726563 352904368 /nfs/dbraw/zinc/90/43/68/352904368.db2.gz WCKQMIPMWWTNHX-UHFFFAOYSA-N 0 3 179.263 2.025 10 0 AEAEHN CCc1cc(C)c(CN)c(OC)c1 575726865 352904402 /nfs/dbraw/zinc/90/44/02/352904402.db2.gz YTVBKLJZDVRQAO-UHFFFAOYSA-N 0 3 179.263 2.025 10 0 AEAEHN CCc1cc(CN)c(OC)cc1C 575726264 352904433 /nfs/dbraw/zinc/90/44/33/352904433.db2.gz SOUMWQWGSBETFT-UHFFFAOYSA-N 0 3 179.263 2.025 10 0 AEAEHN CCc1cc(C)c(OC)c(CN)c1 575726414 352904459 /nfs/dbraw/zinc/90/44/59/352904459.db2.gz TYFDXMFGZZANIT-UHFFFAOYSA-N 0 3 179.263 2.025 10 0 AEAEHN C[C@H]1CN([C@@H]2C=CCCC2)C[C@@H](C)O1 590400332 352913420 /nfs/dbraw/zinc/91/34/20/352913420.db2.gz BOXHIJLDIHXEJG-GRYCIOLGSA-N 0 3 195.306 2.204 10 0 AEAEHN C[C@H]1CN([C@H]2C=CCCC2)C[C@@H](C)O1 590400337 352913591 /nfs/dbraw/zinc/91/35/91/352913591.db2.gz BOXHIJLDIHXEJG-TUAOUCFPSA-N 0 3 195.306 2.204 10 0 AEAEHN CCSCCN1CC(C)(CC)C1 590970095 352915400 /nfs/dbraw/zinc/91/54/00/352915400.db2.gz YBAPSRXWOUJXHL-UHFFFAOYSA-N 0 3 187.352 2.471 10 0 AEAEHN CCOCCCN(C)Cc1ccco1 607725345 352926752 /nfs/dbraw/zinc/92/67/52/352926752.db2.gz BEUYMXOYRKCSPS-UHFFFAOYSA-N 0 3 197.278 2.138 10 0 AEAEHN CCSCCN(C)Cc1ccc[nH]1 610477068 352927257 /nfs/dbraw/zinc/92/72/57/352927257.db2.gz CTTBKCOHZOCFMT-UHFFFAOYSA-N 0 3 198.335 2.200 10 0 AEAEHN Cc1ccc(CN2CC(C3CC3)C2)o1 643345220 352947814 /nfs/dbraw/zinc/94/78/14/352947814.db2.gz JIMOXZJSCVAFLE-UHFFFAOYSA-N 0 3 191.274 2.430 10 0 AEAEHN Cc1ccoc1CN1CC(C2CC2)C1 643345815 352947947 /nfs/dbraw/zinc/94/79/47/352947947.db2.gz OFMHTRGCNGNVTQ-UHFFFAOYSA-N 0 3 191.274 2.430 10 0 AEAEHN CCc1ccc(CN[C@@H]2CC23CC3)o1 643800255 353006905 /nfs/dbraw/zinc/00/69/05/353006905.db2.gz IWYNXUADDJJHHY-LLVKDONJSA-N 0 3 191.274 2.484 10 0 AEAEHN CCc1ccc(CN[C@H]2CC23CC3)o1 643800256 353006961 /nfs/dbraw/zinc/00/69/61/353006961.db2.gz IWYNXUADDJJHHY-NSHDSACASA-N 0 3 191.274 2.484 10 0 AEAEHN FC1(CN[C@@H]2C[C@H]2C2CCC2)CC1 643801271 353007345 /nfs/dbraw/zinc/00/73/45/353007345.db2.gz VWIUKWNLEUXYIS-VHSXEESVSA-N 0 3 183.270 2.267 10 0 AEAEHN COC1(C)CN(C[C@H]2CC=CCC2)C1 643884619 353009018 /nfs/dbraw/zinc/00/90/18/353009018.db2.gz GHPFGEGWGKGMHF-NSHDSACASA-N 0 3 195.306 2.063 10 0 AEAEHN COC1(C)CN(C[C@@H]2CC=CCC2)C1 643884618 353009147 /nfs/dbraw/zinc/00/91/47/353009147.db2.gz GHPFGEGWGKGMHF-LLVKDONJSA-N 0 3 195.306 2.063 10 0 AEAEHN C[C@H](N[C@@H]1CC12CC2)c1ccoc1 643907359 353009528 /nfs/dbraw/zinc/00/95/28/353009528.db2.gz CIKCZVIITCVISN-WCBMZHEXSA-N 0 3 177.247 2.483 10 0 AEAEHN C[C@@H](N[C@H]1CC12CC2)c1ccoc1 643907358 353009730 /nfs/dbraw/zinc/00/97/30/353009730.db2.gz CIKCZVIITCVISN-SCZZXKLOSA-N 0 3 177.247 2.483 10 0 AEAEHN C[C@H](N[C@H]1CC12CC2)c1ccoc1 643907360 353009873 /nfs/dbraw/zinc/00/98/73/353009873.db2.gz CIKCZVIITCVISN-WPRPVWTQSA-N 0 3 177.247 2.483 10 0 AEAEHN C[C@@H](N[C@@H]1CC12CC2)c1ccoc1 643907357 353009905 /nfs/dbraw/zinc/00/99/05/353009905.db2.gz CIKCZVIITCVISN-PSASIEDQSA-N 0 3 177.247 2.483 10 0 AEAEHN NC[C@H](F)c1cncc2ccccc12 158055888 371666786 /nfs/dbraw/zinc/66/67/86/371666786.db2.gz REWXKHPZFLUOQF-NSHDSACASA-N 0 3 190.221 2.204 10 0 AEAEHN NC[C@H](F)CCCc1ccccc1 158055306 371666509 /nfs/dbraw/zinc/66/65/09/371666509.db2.gz PQBYFZQFBOIBKZ-LLVKDONJSA-N 0 3 181.254 2.306 10 0 AEAEHN NC[C@@H](F)c1cncc2ccccc12 158055756 371666647 /nfs/dbraw/zinc/66/66/47/371666647.db2.gz REWXKHPZFLUOQF-LLVKDONJSA-N 0 3 190.221 2.204 10 0 AEAEHN NC[C@@H](F)c1ccc2[nH]ccc2c1 158050993 371666707 /nfs/dbraw/zinc/66/67/07/371666707.db2.gz RMRYJOOUPPIIDJ-SECBINFHSA-N 0 3 178.210 2.137 10 0 AEAEHN NC[C@H](F)c1ccc2[nH]ccc2c1 158051142 371666755 /nfs/dbraw/zinc/66/67/55/371666755.db2.gz RMRYJOOUPPIIDJ-VIFPVBQESA-N 0 3 178.210 2.137 10 0 AEAEHN NC[C@@H](F)CCCc1ccccc1 158055160 371666771 /nfs/dbraw/zinc/66/67/71/371666771.db2.gz PQBYFZQFBOIBKZ-NSHDSACASA-N 0 3 181.254 2.306 10 0 AEAEHN N[C@H](c1ncccc1F)C1CCC1 161458277 371672113 /nfs/dbraw/zinc/67/21/13/371672113.db2.gz JDJLLPOGWOILRC-VIFPVBQESA-N 0 3 180.226 2.021 10 0 AEAEHN N[C@@H](c1ncccc1F)C1CCC1 161458172 371672123 /nfs/dbraw/zinc/67/21/23/371672123.db2.gz JDJLLPOGWOILRC-SECBINFHSA-N 0 3 180.226 2.021 10 0 AEAEHN Cc1ccc(CN)c(F)c1Cl 238469770 371729230 /nfs/dbraw/zinc/72/92/30/371729230.db2.gz JONIULMNUUDFDW-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN Cc1ccc(CN)c(Cl)c1F 238469719 371729251 /nfs/dbraw/zinc/72/92/51/371729251.db2.gz FJPXJVRKZUVJGJ-UHFFFAOYSA-N 0 3 173.618 2.246 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1Cc1cccnc1 306511062 371759063 /nfs/dbraw/zinc/75/90/63/371759063.db2.gz MGNGTRBXFFRRJI-NXEZZACHSA-N 0 3 176.263 2.064 10 0 AEAEHN C/C=C/CNCc1ccoc1C 321340914 371790834 /nfs/dbraw/zinc/79/08/34/371790834.db2.gz BJTNFIKRBHHZGG-ONEGZZNKSA-N 0 3 165.236 2.254 10 0 AEAEHN C/C=C\CNCc1ccoc1C 321340913 371790886 /nfs/dbraw/zinc/79/08/86/371790886.db2.gz BJTNFIKRBHHZGG-ARJAWSKDSA-N 0 3 165.236 2.254 10 0 AEAEHN C[C@@H]1CC(C)(C)CN1[C@H](C)C(N)=O 335189138 371801195 /nfs/dbraw/zinc/80/11/95/371801195.db2.gz KKOYGXHTFUTJPQ-HTQZYQBOSA-N 0 3 184.283 2.031 10 0 AEAEHN C[C@H]1CC(C)(C)CN1[C@H](C)C(N)=O 335189139 371801286 /nfs/dbraw/zinc/80/12/86/371801286.db2.gz KKOYGXHTFUTJPQ-JGVFFNPUSA-N 0 3 184.283 2.031 10 0 AEAEHN C[C@H]1CC(C)(C)CN1[C@@H](C)C(N)=O 335189141 371801317 /nfs/dbraw/zinc/80/13/17/371801317.db2.gz KKOYGXHTFUTJPQ-YUMQZZPRSA-N 0 3 184.283 2.031 10 0 AEAEHN C[C@H]1CC(C)(C)CN1Cc1cc[nH]n1 335191492 371801602 /nfs/dbraw/zinc/80/16/02/371801602.db2.gz QFCBMHBKRBYAOB-VIFPVBQESA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@H]1CC(C)(C)CN1Cc1ccno1 335189776 371801941 /nfs/dbraw/zinc/80/19/41/371801941.db2.gz MAPUQJNZPQHTEI-VIFPVBQESA-N 0 3 194.278 2.295 10 0 AEAEHN C[C@@H]1CC(C)(C)CN1Cc1cc[nH]n1 335191474 371801982 /nfs/dbraw/zinc/80/19/82/371801982.db2.gz QFCBMHBKRBYAOB-SECBINFHSA-N 0 3 193.294 2.030 10 0 AEAEHN C[C@@H]1CC(C)(C)CN1Cc1ccno1 335189775 371802033 /nfs/dbraw/zinc/80/20/33/371802033.db2.gz MAPUQJNZPQHTEI-SECBINFHSA-N 0 3 194.278 2.295 10 0 AEAEHN CCCN(CC)Cc1cc(C)ncn1 644660962 371894074 /nfs/dbraw/zinc/89/40/74/371894074.db2.gz ZPLGMDJCTOWTEJ-UHFFFAOYSA-N 0 3 193.294 2.017 10 0 AEAEHN CCN(CC)[C@@H](C)c1cnc(C)cn1 644656661 371894119 /nfs/dbraw/zinc/89/41/19/371894119.db2.gz SAZHCZAMFUFSIX-JTQLQIEISA-N 0 3 193.294 2.188 10 0 AEAEHN CCC(F)(F)[C@@H](N)C(C)C 575496859 371826181 /nfs/dbraw/zinc/82/61/81/371826181.db2.gz BEGPUWJWYVFILZ-LURJTMIESA-N 0 3 151.200 2.015 10 0 AEAEHN CCC(F)(F)[C@H](N)C(C)C 575496863 371826233 /nfs/dbraw/zinc/82/62/33/371826233.db2.gz BEGPUWJWYVFILZ-ZCFIWIBFSA-N 0 3 151.200 2.015 10 0 AEAEHN Cc1nc([C@]2(N)C[C@@H](C)[C@H]2C)cs1 575566725 371830320 /nfs/dbraw/zinc/83/03/20/371830320.db2.gz FKILZBBGYNYBOJ-XSSZXYGBSA-N 0 3 196.319 2.281 10 0 AEAEHN CC1(Nc2ccncc2)CC=CC1 575566671 371830524 /nfs/dbraw/zinc/83/05/24/371830524.db2.gz WGNMEFVXLMLROF-UHFFFAOYSA-N 0 3 174.247 2.024 10 0 AEAEHN Cc1nc([C@]2(N)C[C@H](C)[C@H]2C)cs1 575566723 371830563 /nfs/dbraw/zinc/83/05/63/371830563.db2.gz FKILZBBGYNYBOJ-PJKMHFRUSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1nc([C@]2(N)C[C@@H](C)[C@@H]2C)cs1 575566720 371830679 /nfs/dbraw/zinc/83/06/79/371830679.db2.gz FKILZBBGYNYBOJ-FWWHASMVSA-N 0 3 196.319 2.281 10 0 AEAEHN Cc1nc([C@]2(N)C[C@H](C)[C@@H]2C)cs1 575566719 371830724 /nfs/dbraw/zinc/83/07/24/371830724.db2.gz FKILZBBGYNYBOJ-BYULHYEWSA-N 0 3 196.319 2.281 10 0 AEAEHN NC[C@@H](F)CC1CC2(CCC2)C1 585143189 371844652 /nfs/dbraw/zinc/84/46/52/371844652.db2.gz GNHOVRBMPBIGGT-VIFPVBQESA-N 0 3 171.259 2.254 10 0 AEAEHN NC[C@H](F)CC1CC2(CCC2)C1 585143188 371845025 /nfs/dbraw/zinc/84/50/25/371845025.db2.gz GNHOVRBMPBIGGT-SECBINFHSA-N 0 3 171.259 2.254 10 0 AEAEHN CCCCn1cc2c(n1)[C@H](N)CCC2 644167815 371880962 /nfs/dbraw/zinc/88/09/62/371880962.db2.gz YCCZAFCGVDLFJZ-SNVBAGLBSA-N 0 3 193.294 2.019 10 0 AEAEHN CCCCn1cc2c(n1)[C@@H](N)CCC2 644167814 371881247 /nfs/dbraw/zinc/88/12/47/371881247.db2.gz YCCZAFCGVDLFJZ-JTQLQIEISA-N 0 3 193.294 2.019 10 0 AEAEHN CCN(CC)[C@H](C)c1cnc(C)cn1 644656664 371894289 /nfs/dbraw/zinc/89/42/89/371894289.db2.gz SAZHCZAMFUFSIX-SNVBAGLBSA-N 0 3 193.294 2.188 10 0 AEAEHN CCCCN(C)Cc1cc(C)ncn1 644655186 371894365 /nfs/dbraw/zinc/89/43/65/371894365.db2.gz QBRYMXVUXZITAF-UHFFFAOYSA-N 0 3 193.294 2.017 10 0 AEAEHN CCCN(C)[C@@H](C)c1cnc(C)cn1 644661600 371896104 /nfs/dbraw/zinc/89/61/04/371896104.db2.gz HAVFCVDAMCEAQJ-JTQLQIEISA-N 0 3 193.294 2.188 10 0 AEAEHN CCCN(C)[C@H](C)c1cnc(C)cn1 644661601 371896394 /nfs/dbraw/zinc/89/63/94/371896394.db2.gz HAVFCVDAMCEAQJ-SNVBAGLBSA-N 0 3 193.294 2.188 10 0 AEAEHN CC[C@H](C)N(C)Cc1cc(C)ncn1 644676108 371898007 /nfs/dbraw/zinc/89/80/07/371898007.db2.gz BORGJCPOUIACTB-JTQLQIEISA-N 0 3 193.294 2.015 10 0 AEAEHN CC[C@@H](C)N(C)Cc1cc(C)ncn1 644676109 371899559 /nfs/dbraw/zinc/89/95/59/371899559.db2.gz BORGJCPOUIACTB-SNVBAGLBSA-N 0 3 193.294 2.015 10 0 AEAEHN CC1(CN2CC(CC(F)F)C2)CC1 644906873 371927142 /nfs/dbraw/zinc/92/71/42/371927142.db2.gz XEUPSNMPMWOWHL-UHFFFAOYSA-N 0 3 189.249 2.374 10 0 AEAEHN c1cnc2c(c1)CN(C1CCCC1)C2 644933256 371932765 /nfs/dbraw/zinc/93/27/65/371932765.db2.gz FCVXBMHEZBEQDB-UHFFFAOYSA-N 0 3 188.274 2.340 10 0 AEAEHN CN(CC1=CCCC1)C[C@H]1CCCO1 645778480 371965743 /nfs/dbraw/zinc/96/57/43/371965743.db2.gz YLCRBHBYLSPEGH-GFCCVEGCSA-N 0 3 195.306 2.208 10 0 AEAEHN CCc1ccc(CN(C)C2CC2)nc1 645077124 371941929 /nfs/dbraw/zinc/94/19/29/371941929.db2.gz ZKZYLLOGZJEELZ-UHFFFAOYSA-N 0 3 190.290 2.238 10 0 AEAEHN CCCN(C)Cc1ccc(CC)cn1 645081064 371942684 /nfs/dbraw/zinc/94/26/84/371942684.db2.gz LSMXWJDUPMGXQQ-UHFFFAOYSA-N 0 3 192.306 2.486 10 0 AEAEHN C[C@@H]1CN([C@H](C)c2ccncc2)[C@@H]1C 645214798 371950015 /nfs/dbraw/zinc/95/00/15/371950015.db2.gz GNKYRBIMBYOARL-GMTAPVOTSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@@H](c1ccncc1)N1C[C@@H](C)[C@H]1C 645214799 371949641 /nfs/dbraw/zinc/94/96/41/371949641.db2.gz GNKYRBIMBYOARL-MXWKQRLJSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@@H](c1ccncc1)N1C[C@@H](C)[C@@H]1C 645214801 371950106 /nfs/dbraw/zinc/95/01/06/371950106.db2.gz GNKYRBIMBYOARL-VWYCJHECSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@H]1[C@H](C)CN1[C@H](C)c1ccncc1 645214800 371950486 /nfs/dbraw/zinc/95/04/86/371950486.db2.gz GNKYRBIMBYOARL-OUAUKWLOSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@@H]1CN(C[C@H]2CCC(C)(C)O2)[C@@H]1C 645215806 371952164 /nfs/dbraw/zinc/95/21/64/371952164.db2.gz LGJGOZOKAJMKRM-GMTAPVOTSA-N 0 3 197.322 2.284 10 0 AEAEHN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@@H]1C 645215807 371951706 /nfs/dbraw/zinc/95/17/06/371951706.db2.gz LGJGOZOKAJMKRM-MXWKQRLJSA-N 0 3 197.322 2.284 10 0 AEAEHN C[C@@H](c1cccnc1)N1C[C@@H](C)[C@@H]1C 645216196 371951731 /nfs/dbraw/zinc/95/17/31/371951731.db2.gz UOIBHXMOODLDBK-VWYCJHECSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@H]1[C@H](C)CN1C[C@@H]1CCC(C)(C)O1 645215809 371951912 /nfs/dbraw/zinc/95/19/12/371951912.db2.gz LGJGOZOKAJMKRM-VWYCJHECSA-N 0 3 197.322 2.284 10 0 AEAEHN Cc1ccnc(CN2C[C@@H](C)[C@@H]2C)c1 645215800 371951930 /nfs/dbraw/zinc/95/19/30/371951930.db2.gz KCDBBXKWNCJQNK-MNOVXSKESA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccnc(CN2C[C@@H](C)[C@H]2C)c1 645215799 371951955 /nfs/dbraw/zinc/95/19/55/371951955.db2.gz KCDBBXKWNCJQNK-GHMZBOCLSA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1[C@H](C)CN1[C@H](C)c1cccnc1 645216195 371951972 /nfs/dbraw/zinc/95/19/72/371951972.db2.gz UOIBHXMOODLDBK-OUAUKWLOSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@@H]1CN([C@H](C)c2cccnc2)[C@@H]1C 645216192 371952066 /nfs/dbraw/zinc/95/20/66/371952066.db2.gz UOIBHXMOODLDBK-GMTAPVOTSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@@H](c1ccccn1)N1C[C@@H](C)[C@@H]1C 645215844 371952097 /nfs/dbraw/zinc/95/20/97/371952097.db2.gz WINNBXFLNJSIMF-VWYCJHECSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@@H]1CN([C@H](C)c2ccccn2)[C@@H]1C 645215841 371952144 /nfs/dbraw/zinc/95/21/44/371952144.db2.gz WINNBXFLNJSIMF-GMTAPVOTSA-N 0 3 190.290 2.483 10 0 AEAEHN C[C@@H](c1cccnc1)N1C[C@@H](C)[C@H]1C 645216194 371952236 /nfs/dbraw/zinc/95/22/36/371952236.db2.gz UOIBHXMOODLDBK-MXWKQRLJSA-N 0 3 190.290 2.483 10 0 AEAEHN Cc1ccnc(CN2C[C@H](C)[C@H]2C)c1 645215802 371952479 /nfs/dbraw/zinc/95/24/79/371952479.db2.gz KCDBBXKWNCJQNK-WDEREUQCSA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1[C@H](C)CN1C[C@H]1CCC(C)(C)O1 645215808 371952615 /nfs/dbraw/zinc/95/26/15/371952615.db2.gz LGJGOZOKAJMKRM-OUAUKWLOSA-N 0 3 197.322 2.284 10 0 AEAEHN C[C@@H](c1ccccn1)N1C[C@@H](C)[C@H]1C 645215842 371952647 /nfs/dbraw/zinc/95/26/47/371952647.db2.gz WINNBXFLNJSIMF-MXWKQRLJSA-N 0 3 190.290 2.483 10 0 AEAEHN Cc1ccnc(CN2C[C@H](C)[C@@H]2C)c1 645215801 371952689 /nfs/dbraw/zinc/95/26/89/371952689.db2.gz KCDBBXKWNCJQNK-QWRGUYRKSA-N 0 3 190.290 2.230 10 0 AEAEHN C[C@H]1[C@H](C)CN1[C@H](C)c1ccccn1 645215843 371952754 /nfs/dbraw/zinc/95/27/54/371952754.db2.gz WINNBXFLNJSIMF-OUAUKWLOSA-N 0 3 190.290 2.483 10 0 AEAEHN Cc1ncccc1CN1C[C@H](C)[C@@H]1C 645218152 371953914 /nfs/dbraw/zinc/95/39/14/371953914.db2.gz NBXCTYJREXVQHH-ONGXEEELSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ncccc1CN1C[C@@H](C)[C@@H]1C 645218150 371954444 /nfs/dbraw/zinc/95/44/44/371954444.db2.gz NBXCTYJREXVQHH-KOLCDFICSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ncccc1CN1C[C@H](C)[C@H]1C 645218149 371954508 /nfs/dbraw/zinc/95/45/08/371954508.db2.gz NBXCTYJREXVQHH-GXSJLCMTSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ncccc1CN1C[C@@H](C)[C@H]1C 645218151 371954551 /nfs/dbraw/zinc/95/45/51/371954551.db2.gz NBXCTYJREXVQHH-MWLCHTKSSA-N 0 3 190.290 2.230 10 0 AEAEHN CCc1nocc1CN(C)CC(C)C 645227047 371956088 /nfs/dbraw/zinc/95/60/88/371956088.db2.gz AGZATPOWTMIDRH-UHFFFAOYSA-N 0 3 196.294 2.325 10 0 AEAEHN CCCN1CCOC[C@H]1CC1CCC1 645267490 371959890 /nfs/dbraw/zinc/95/98/90/371959890.db2.gz QCEFWVHCHLJYNX-GFCCVEGCSA-N 0 3 197.322 2.287 10 0 AEAEHN CCCN1CCOC[C@@H]1CC1CCC1 645267491 371960271 /nfs/dbraw/zinc/96/02/71/371960271.db2.gz QCEFWVHCHLJYNX-LBPRGKRZSA-N 0 3 197.322 2.287 10 0 AEAEHN CN(CC1=CCCC1)C[C@@H]1CCCO1 645778481 371965593 /nfs/dbraw/zinc/96/55/93/371965593.db2.gz YLCRBHBYLSPEGH-LBPRGKRZSA-N 0 3 195.306 2.208 10 0 AEAEHN C[C@H]1[C@@H](C)OCCN1CC1=CCCC1 645815943 371967049 /nfs/dbraw/zinc/96/70/49/371967049.db2.gz DKNVNGZSJVDIBP-WDEREUQCSA-N 0 3 195.306 2.206 10 0 AEAEHN C[C@H]1OCCN(CC2=CCCC2)[C@@H]1C 645815940 371967229 /nfs/dbraw/zinc/96/72/29/371967229.db2.gz DKNVNGZSJVDIBP-GHMZBOCLSA-N 0 3 195.306 2.206 10 0 AEAEHN C[C@@H]1OCCN(CC2=CCCC2)[C@@H]1C 645815941 371967793 /nfs/dbraw/zinc/96/77/93/371967793.db2.gz DKNVNGZSJVDIBP-MNOVXSKESA-N 0 3 195.306 2.206 10 0 AEAEHN C[C@@H]1OCCN(CC2=CCCC2)[C@H]1C 645815942 371967910 /nfs/dbraw/zinc/96/79/10/371967910.db2.gz DKNVNGZSJVDIBP-QWRGUYRKSA-N 0 3 195.306 2.206 10 0 AEAEHN C[C@H](NCC1=CCCC1)c1cn[nH]c1 645856856 371968896 /nfs/dbraw/zinc/96/88/96/371968896.db2.gz AHURHXATKMGEIY-VIFPVBQESA-N 0 3 191.278 2.171 10 0 AEAEHN C[C@@H](NCC1=CCCC1)c1cn[nH]c1 645856855 371969363 /nfs/dbraw/zinc/96/93/63/371969363.db2.gz AHURHXATKMGEIY-SECBINFHSA-N 0 3 191.278 2.171 10 0 AEAEHN CN(CC1=CCCC1)[C@H]1CCCOC1 645909315 371970667 /nfs/dbraw/zinc/97/06/67/371970667.db2.gz FSNAPRUTLJBHGW-LBPRGKRZSA-N 0 3 195.306 2.208 10 0 AEAEHN CN(CC1=CCCC1)[C@@H]1CCCOC1 645909314 371971315 /nfs/dbraw/zinc/97/13/15/371971315.db2.gz FSNAPRUTLJBHGW-GFCCVEGCSA-N 0 3 195.306 2.208 10 0 AEAEHN C1=C(CN2C[C@@H]3C[C@H]2CS3)CCC1 645928126 371971917 /nfs/dbraw/zinc/97/19/17/371971917.db2.gz YESWIFMJVQLEMW-QWRGUYRKSA-N 0 3 195.331 2.286 10 0 AEAEHN CC(C)C[C@H](C)N1CCC(=O)[C@H](C)C1 49693714 375300236 /nfs/dbraw/zinc/30/02/36/375300236.db2.gz OVMSMEIMQPRSDB-MNOVXSKESA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)CN[C@H]1COc2ccccc21 70068810 375321281 /nfs/dbraw/zinc/32/12/81/375321281.db2.gz SCNGUBFEKMCVDF-NSHDSACASA-N 0 3 191.274 2.366 10 0 AEAEHN CC(C)CN[C@@H]1COc2ccccc21 70068809 375321300 /nfs/dbraw/zinc/32/13/00/375321300.db2.gz SCNGUBFEKMCVDF-LLVKDONJSA-N 0 3 191.274 2.366 10 0 AEAEHN C[C@H]1CC[C@@H](NCc2cscn2)C1 70644229 375336005 /nfs/dbraw/zinc/33/60/05/375336005.db2.gz RWBBRBAWIBVFIP-DTWKUNHWSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@@H]1CC[C@@H](NCc2cscn2)C1 70644228 375335949 /nfs/dbraw/zinc/33/59/49/375335949.db2.gz RWBBRBAWIBVFIP-RKDXNWHRSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@@H]1CC[C@H](NCc2cscn2)C1 70644226 375336232 /nfs/dbraw/zinc/33/62/32/375336232.db2.gz RWBBRBAWIBVFIP-BDAKNGLRSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@H]1CC[C@H](NCc2cscn2)C1 70644227 375336277 /nfs/dbraw/zinc/33/62/77/375336277.db2.gz RWBBRBAWIBVFIP-IUCAKERBSA-N 0 3 196.319 2.421 10 0 AEAEHN C[C@@H](N[C@H]1CCCOC1)c1ccco1 71011473 375342854 /nfs/dbraw/zinc/34/28/54/375342854.db2.gz GRJBFTOOTGDBAX-ZJUUUORDSA-N 0 3 195.262 2.109 10 0 AEAEHN C[C@@H](N[C@@H]1CCCOC1)c1ccco1 71011467 375343021 /nfs/dbraw/zinc/34/30/21/375343021.db2.gz GRJBFTOOTGDBAX-NXEZZACHSA-N 0 3 195.262 2.109 10 0 AEAEHN C[C@H](N[C@H]1CCCOC1)c1ccco1 71011470 375343085 /nfs/dbraw/zinc/34/30/85/375343085.db2.gz GRJBFTOOTGDBAX-UWVGGRQHSA-N 0 3 195.262 2.109 10 0 AEAEHN C[C@H](N[C@@H]1CCCOC1)c1ccco1 71011462 375343158 /nfs/dbraw/zinc/34/31/58/375343158.db2.gz GRJBFTOOTGDBAX-VHSXEESVSA-N 0 3 195.262 2.109 10 0 AEAEHN Cc1cc(CNC2CC2)cs1 83452292 375377030 /nfs/dbraw/zinc/37/70/30/375377030.db2.gz GWPCRVHKTGDOBB-UHFFFAOYSA-N 0 3 167.277 2.309 10 0 AEAEHN CC(=O)CN1CCC[C@H]1CC(C)(C)C 201939909 375408763 /nfs/dbraw/zinc/40/87/63/375408763.db2.gz FXSBGLXFBQLONM-NSHDSACASA-N 0 3 197.322 2.476 10 0 AEAEHN CC(=O)CN1CCC[C@@H]1CC(C)(C)C 201939877 375409076 /nfs/dbraw/zinc/40/90/76/375409076.db2.gz FXSBGLXFBQLONM-LLVKDONJSA-N 0 3 197.322 2.476 10 0 AEAEHN COCN(C[Si](C)(C)C)C(C)C 203016823 375410977 /nfs/dbraw/zinc/41/09/77/375410977.db2.gz RVAJBAKGZLVKPH-UHFFFAOYSA-N 0 3 189.375 2.178 10 0 AEAEHN Cc1cnccc1CN[C@H]1CC12CC2 335278185 375486225 /nfs/dbraw/zinc/48/62/25/375486225.db2.gz BGXWZUDPWNUYOK-NSHDSACASA-N 0 3 188.274 2.032 10 0 AEAEHN C[C@H](N[C@H]1CC12CC2)c1cccnc1 335279523 375486988 /nfs/dbraw/zinc/48/69/88/375486988.db2.gz QIDDPCVAAWYKCU-ONGXEEELSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@H]1[C@H](C)C[C@]12NC(C)(C)CS2 306152739 375439897 /nfs/dbraw/zinc/43/98/97/375439897.db2.gz HYKPCZIQWQOJFQ-KHQFGBGNSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1C[C@]2(NC(C)(C)CS2)[C@@H]1C 306152743 375439933 /nfs/dbraw/zinc/43/99/33/375439933.db2.gz HYKPCZIQWQOJFQ-NQMVMOMDSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1C[C@@]2(NC(C)(C)CS2)[C@@H]1C 306152741 375439981 /nfs/dbraw/zinc/43/99/81/375439981.db2.gz HYKPCZIQWQOJFQ-MRTMQBJTSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@H]1[C@H](C)C[C@@]12NC(C)(C)CS2 306152745 375440073 /nfs/dbraw/zinc/44/00/73/375440073.db2.gz HYKPCZIQWQOJFQ-WEDXCCLWSA-N 0 3 185.336 2.474 10 0 AEAEHN C[C@@H]1CN(C2CCC2)CC(C)(C)O1 306291756 375443000 /nfs/dbraw/zinc/44/30/00/375443000.db2.gz UDTVEGOJHKKACL-SECBINFHSA-N 0 3 183.295 2.038 10 0 AEAEHN CC[C@@]1(C)CN[C@H]1c1ccccn1 306477975 375448063 /nfs/dbraw/zinc/44/80/63/375448063.db2.gz KTYPXDRESLRACL-QWRGUYRKSA-N 0 3 176.263 2.142 10 0 AEAEHN CC[C@]1(C)CN[C@H]1c1ccccn1 306477976 375448082 /nfs/dbraw/zinc/44/80/82/375448082.db2.gz KTYPXDRESLRACL-WDEREUQCSA-N 0 3 176.263 2.142 10 0 AEAEHN CC[C@](N)(c1ccc(F)cn1)C1CC1 306507960 375450898 /nfs/dbraw/zinc/45/08/98/375450898.db2.gz ZVHFWQLLAQHTEC-LLVKDONJSA-N 0 3 194.253 2.195 10 0 AEAEHN c1coc(CN2CCCSCC2)c1 306507830 375450949 /nfs/dbraw/zinc/45/09/49/375450949.db2.gz ZGYFIDLUXULDFT-UHFFFAOYSA-N 0 3 197.303 2.219 10 0 AEAEHN CC[C@@](N)(c1ccc(F)cn1)C1CC1 306507961 375451053 /nfs/dbraw/zinc/45/10/53/375451053.db2.gz ZVHFWQLLAQHTEC-NSHDSACASA-N 0 3 194.253 2.195 10 0 AEAEHN CCC1(NC2=NC(C)(C)CS2)CC1 306740049 375458609 /nfs/dbraw/zinc/45/86/09/375458609.db2.gz SVGBOPPJMPCYER-UHFFFAOYSA-N 0 3 198.335 2.400 10 0 AEAEHN C[C@H]1CC[C@@](N)(c2ccccn2)C1 307298598 375467451 /nfs/dbraw/zinc/46/74/51/375467451.db2.gz XAHBCSRMFOYQHB-ONGXEEELSA-N 0 3 176.263 2.056 10 0 AEAEHN C[C@H]1CC[C@](N)(c2ccccn2)C1 307298595 375467546 /nfs/dbraw/zinc/46/75/46/375467546.db2.gz XAHBCSRMFOYQHB-GXSJLCMTSA-N 0 3 176.263 2.056 10 0 AEAEHN C[C@@H]1CC[C@@](N)(c2ccccn2)C1 307298596 375467643 /nfs/dbraw/zinc/46/76/43/375467643.db2.gz XAHBCSRMFOYQHB-KOLCDFICSA-N 0 3 176.263 2.056 10 0 AEAEHN C[C@@H]1CC[C@](N)(c2ccccn2)C1 307298597 375467656 /nfs/dbraw/zinc/46/76/56/375467656.db2.gz XAHBCSRMFOYQHB-MWLCHTKSSA-N 0 3 176.263 2.056 10 0 AEAEHN CC1=CCN(Cc2ccn(C)c2)CC1 334432950 375483145 /nfs/dbraw/zinc/48/31/45/375483145.db2.gz CWDHDGWEEAGPCW-UHFFFAOYSA-N 0 3 190.290 2.177 10 0 AEAEHN C[C@H](N[C@H]1CC12CC2)c1ccncc1 335276604 375486291 /nfs/dbraw/zinc/48/62/91/375486291.db2.gz GOCNIEFYFGVQFB-ONGXEEELSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@H](N[C@@H]1CC12CC2)c1cncs1 335276569 375486402 /nfs/dbraw/zinc/48/64/02/375486402.db2.gz GGDRNOQBQXZQOX-IONNQARKSA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@H](N[C@@H]1CC12CC2)c1ccccn1 335276461 375486423 /nfs/dbraw/zinc/48/64/23/375486423.db2.gz DKHRLLBXIDPPHJ-GXSJLCMTSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@H](N[C@@H]1CC12CC2)c1cccnc1 335279520 375486539 /nfs/dbraw/zinc/48/65/39/375486539.db2.gz QIDDPCVAAWYKCU-GXSJLCMTSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@H](N[C@H]1CC12CC2)c1ccco1 335276956 375486571 /nfs/dbraw/zinc/48/65/71/375486571.db2.gz FGGXQXUHVSMVMP-WPRPVWTQSA-N 0 3 177.247 2.483 10 0 AEAEHN Cc1cnccc1CN[C@@H]1CC12CC2 335278184 375486783 /nfs/dbraw/zinc/48/67/83/375486783.db2.gz BGXWZUDPWNUYOK-LLVKDONJSA-N 0 3 188.274 2.032 10 0 AEAEHN C[C@H](N[C@@H]1CC12CC2)c1ccncc1 335276598 375486819 /nfs/dbraw/zinc/48/68/19/375486819.db2.gz GOCNIEFYFGVQFB-GXSJLCMTSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@H](N[C@H]1CC12CC2)c1ccccn1 335276466 375486852 /nfs/dbraw/zinc/48/68/52/375486852.db2.gz DKHRLLBXIDPPHJ-ONGXEEELSA-N 0 3 188.274 2.285 10 0 AEAEHN C[C@H](N[C@H]1CC12CC2)c1cncs1 335276567 375487003 /nfs/dbraw/zinc/48/70/03/375487003.db2.gz GGDRNOQBQXZQOX-CBAPKCEASA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@H](N[C@@H]1CC12CC2)c1ccco1 335276955 375487023 /nfs/dbraw/zinc/48/70/23/375487023.db2.gz FGGXQXUHVSMVMP-WCBMZHEXSA-N 0 3 177.247 2.483 10 0 AEAEHN Cc1ccc(CN[C@H]2CC23CC3)nc1 335286574 375487560 /nfs/dbraw/zinc/48/75/60/375487560.db2.gz WDUFMSPKFYYKBV-NSHDSACASA-N 0 3 188.274 2.032 10 0 AEAEHN Cc1ccoc1CN[C@H]1CC12CC2 335286055 375487634 /nfs/dbraw/zinc/48/76/34/375487634.db2.gz NUDTWCVZMDNASW-JTQLQIEISA-N 0 3 177.247 2.230 10 0 AEAEHN Cc1ccncc1CN[C@@H]1CC12CC2 335283241 375487648 /nfs/dbraw/zinc/48/76/48/375487648.db2.gz XUKMVVYOGMEMHK-LLVKDONJSA-N 0 3 188.274 2.032 10 0 AEAEHN Cc1ccoc1CN[C@@H]1CC12CC2 335286056 375487726 /nfs/dbraw/zinc/48/77/26/375487726.db2.gz NUDTWCVZMDNASW-SNVBAGLBSA-N 0 3 177.247 2.230 10 0 AEAEHN Cc1ncccc1CN[C@@H]1CC12CC2 335284278 375487763 /nfs/dbraw/zinc/48/77/63/375487763.db2.gz GLPGOMCZULMOCC-LLVKDONJSA-N 0 3 188.274 2.032 10 0 AEAEHN Cc1ncsc1CN[C@@H]1CC12CC2 335285966 375487813 /nfs/dbraw/zinc/48/78/13/375487813.db2.gz JXGSXPLIVZCYNK-SECBINFHSA-N 0 3 194.303 2.094 10 0 AEAEHN Cc1ncsc1CN[C@H]1CC12CC2 335285967 375487864 /nfs/dbraw/zinc/48/78/64/375487864.db2.gz JXGSXPLIVZCYNK-VIFPVBQESA-N 0 3 194.303 2.094 10 0 AEAEHN c1csc(CN[C@H]2CC23CC3)c1 335284153 375487872 /nfs/dbraw/zinc/48/78/72/375487872.db2.gz DSIYEZOQUICUSW-VIFPVBQESA-N 0 3 179.288 2.390 10 0 AEAEHN Cc1ccncc1CN[C@H]1CC12CC2 335283242 375487877 /nfs/dbraw/zinc/48/78/77/375487877.db2.gz XUKMVVYOGMEMHK-NSHDSACASA-N 0 3 188.274 2.032 10 0 AEAEHN Cc1ccc(CN[C@@H]2CC23CC3)nc1 335286573 375487902 /nfs/dbraw/zinc/48/79/02/375487902.db2.gz WDUFMSPKFYYKBV-LLVKDONJSA-N 0 3 188.274 2.032 10 0 AEAEHN c1csc(CN[C@@H]2CC23CC3)c1 335284152 375487996 /nfs/dbraw/zinc/48/79/96/375487996.db2.gz DSIYEZOQUICUSW-SECBINFHSA-N 0 3 179.288 2.390 10 0 AEAEHN c1cc(CN[C@@H]2CC23CC3)cs1 335284100 375488004 /nfs/dbraw/zinc/48/80/04/375488004.db2.gz BKSBPIPSNJSSQI-SECBINFHSA-N 0 3 179.288 2.390 10 0 AEAEHN Cc1ccc(CN[C@H]2CC23CC3)o1 335284273 375488013 /nfs/dbraw/zinc/48/80/13/375488013.db2.gz GHMBQEIHLMRQSA-JTQLQIEISA-N 0 3 177.247 2.230 10 0 AEAEHN Cc1ncccc1CN[C@H]1CC12CC2 335284279 375488032 /nfs/dbraw/zinc/48/80/32/375488032.db2.gz GLPGOMCZULMOCC-NSHDSACASA-N 0 3 188.274 2.032 10 0 AEAEHN C#CC(C)(C)NC/C(C)=C\Cl 393591620 375499527 /nfs/dbraw/zinc/49/95/27/375499527.db2.gz ZFAKQFRYOWRGCM-VURMDHGXSA-N 0 3 171.671 2.130 10 0 AEAEHN Cc1cc(CN[C@@H]2CC[C@H]2C)sn1 404434933 375532368 /nfs/dbraw/zinc/53/23/68/375532368.db2.gz BVYSTQTXSIACLS-GMSGAONNSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1cc(CN[C@H]2CC[C@@H]2C)sn1 404434936 375532605 /nfs/dbraw/zinc/53/26/05/375532605.db2.gz BVYSTQTXSIACLS-XVKPBYJWSA-N 0 3 196.319 2.340 10 0 AEAEHN Cc1cc(CN[C@@H]2CC[C@@H]2C)sn1 404434934 375532621 /nfs/dbraw/zinc/53/26/21/375532621.db2.gz BVYSTQTXSIACLS-OIBJUYFYSA-N 0 3 196.319 2.340 10 0 AEAEHN C1=CC[C@H](NCc2ccns2)CC1 404448599 375532642 /nfs/dbraw/zinc/53/26/42/375532642.db2.gz BSIIBGNANCDJQS-VIFPVBQESA-N 0 3 194.303 2.341 10 0 AEAEHN C/C=C\CNCc1cc(C)ns1 404423608 375532869 /nfs/dbraw/zinc/53/28/69/375532869.db2.gz VPKWHPWBRCYZIH-ARJAWSKDSA-N 0 3 182.292 2.117 10 0 AEAEHN C1=C(CNCc2ccns2)CCC1 404316021 375532927 /nfs/dbraw/zinc/53/29/27/375532927.db2.gz OGXBNOMEVHFXLQ-UHFFFAOYSA-N 0 3 194.303 2.343 10 0 AEAEHN C/C=C/CNCc1cc(C)ns1 404423609 375533005 /nfs/dbraw/zinc/53/30/05/375533005.db2.gz VPKWHPWBRCYZIH-ONEGZZNKSA-N 0 3 182.292 2.117 10 0 AEAEHN CCC1(NCc2ccns2)CC1 404450841 375533015 /nfs/dbraw/zinc/53/30/15/375533015.db2.gz MLOHBPRNPJIOEJ-UHFFFAOYSA-N 0 3 182.292 2.175 10 0 AEAEHN Cc1cc(CN[C@H]2CC[C@H]2C)sn1 404434935 375533065 /nfs/dbraw/zinc/53/30/65/375533065.db2.gz BVYSTQTXSIACLS-XCBNKYQSSA-N 0 3 196.319 2.340 10 0 AEAEHN CC(C)(NCc1ccns1)C1CC1 404449671 375533101 /nfs/dbraw/zinc/53/31/01/375533101.db2.gz CJHXIFCYGCZYIO-UHFFFAOYSA-N 0 3 196.319 2.421 10 0 AEAEHN C1=CC[C@@H](NCc2ccns2)CC1 404448596 375533161 /nfs/dbraw/zinc/53/31/61/375533161.db2.gz BSIIBGNANCDJQS-SECBINFHSA-N 0 3 194.303 2.341 10 0 AEAEHN CC1(C)C[C@@H]1CNCc1ccns1 404484391 375533678 /nfs/dbraw/zinc/53/36/78/375533678.db2.gz JJAMLVNQMOGIMS-MRVPVSSYSA-N 0 3 196.319 2.279 10 0 AEAEHN CC1(C)C[C@H]1CNCc1ccns1 404484392 375534192 /nfs/dbraw/zinc/53/41/92/375534192.db2.gz JJAMLVNQMOGIMS-QMMMGPOBSA-N 0 3 196.319 2.279 10 0 AEAEHN c1cc(CNCCCC2CC2)sn1 404485215 375534216 /nfs/dbraw/zinc/53/42/16/375534216.db2.gz JYOAVUFYPIPZMG-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN CCCCNCc1ccns1 404481769 375534351 /nfs/dbraw/zinc/53/43/51/375534351.db2.gz XCOUWQQCHYJOPF-UHFFFAOYSA-N 0 3 170.281 2.033 10 0 AEAEHN c1cc(CN[C@H]2C[C@@H]3C[C@@H]3C2)sn1 404458507 375534415 /nfs/dbraw/zinc/53/44/15/375534415.db2.gz YDTGSHHMSAPLGE-AYMMMOKOSA-N 0 3 194.303 2.031 10 0 AEAEHN CC(C)CCNCc1ccns1 404509751 375534831 /nfs/dbraw/zinc/53/48/31/375534831.db2.gz PKGPKVBWOPTCGE-UHFFFAOYSA-N 0 3 184.308 2.279 10 0 AEAEHN c1cc(CNCCC2CC2)sn1 404488922 375534908 /nfs/dbraw/zinc/53/49/08/375534908.db2.gz FSOIXQUHIYZYJL-UHFFFAOYSA-N 0 3 182.292 2.033 10 0 AEAEHN CCCCCNCc1ccns1 404513344 375534929 /nfs/dbraw/zinc/53/49/29/375534929.db2.gz SUPIUHSYCHBQSF-UHFFFAOYSA-N 0 3 184.308 2.423 10 0 AEAEHN CCC[C@@H]1C[C@@H]1NCc1ccns1 404502355 375535070 /nfs/dbraw/zinc/53/50/70/375535070.db2.gz YWTXGLQPRJRDSN-SCZZXKLOSA-N 0 3 196.319 2.421 10 0 AEAEHN CCC1(CNCc2ccns2)CC1 404499488 375535099 /nfs/dbraw/zinc/53/50/99/375535099.db2.gz VZPZTEDHZFIOQO-UHFFFAOYSA-N 0 3 196.319 2.423 10 0 AEAEHN CC1(NCc2ccns2)CCC1 404512413 375535151 /nfs/dbraw/zinc/53/51/51/375535151.db2.gz ROOVXRKTELHQSY-UHFFFAOYSA-N 0 3 182.292 2.175 10 0 AEAEHN CCC[C@H]1C[C@H]1NCc1ccns1 404502357 375535319 /nfs/dbraw/zinc/53/53/19/375535319.db2.gz YWTXGLQPRJRDSN-WCBMZHEXSA-N 0 3 196.319 2.421 10 0 AEAEHN CCC(C)(C)NCc1ccns1 404490548 375535404 /nfs/dbraw/zinc/53/54/04/375535404.db2.gz IEUALFXFXJECAC-UHFFFAOYSA-N 0 3 184.308 2.421 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1ccns1 404502353 375535490 /nfs/dbraw/zinc/53/54/90/375535490.db2.gz YWTXGLQPRJRDSN-PSASIEDQSA-N 0 3 196.319 2.421 10 0 AEAEHN CCC[C@H]1C[C@@H]1NCc1ccns1 404502358 375535607 /nfs/dbraw/zinc/53/56/07/375535607.db2.gz YWTXGLQPRJRDSN-WPRPVWTQSA-N 0 3 196.319 2.421 10 0 AEAEHN c1cc(CNCC2CCC2)sn1 404512835 375535662 /nfs/dbraw/zinc/53/56/62/375535662.db2.gz SCNQJCMWTUMDBA-UHFFFAOYSA-N 0 3 182.292 2.033 10 0 AEAEHN C1=C(CNc2ccncc2)CCC1 575454359 375548668 /nfs/dbraw/zinc/54/86/68/375548668.db2.gz RBOAUINSTVSHSV-UHFFFAOYSA-N 0 3 174.247 2.026 10 0 AEAEHN CC(C)(C)NC/C=C/Br 575470554 375549552 /nfs/dbraw/zinc/54/95/52/375549552.db2.gz KXBXUFLXRBZEPI-SNAWJCMRSA-N 0 3 192.100 2.283 10 0 AEAEHN CCNC1(c2ccccc2OC)CC1 646000312 375570299 /nfs/dbraw/zinc/57/02/99/375570299.db2.gz GFIMISHPGZYFMH-UHFFFAOYSA-N 0 3 191.274 2.294 10 0 AEAEHN Cc1nocc1CN(C)CC(C)C 646051197 375571643 /nfs/dbraw/zinc/57/16/43/375571643.db2.gz HRHSJCKDFFZMKC-UHFFFAOYSA-N 0 3 182.267 2.071 10 0 AEAEHN Cc1nocc1CN(C)CCC(C)C 646053129 375571675 /nfs/dbraw/zinc/57/16/75/375571675.db2.gz QHIAVBCKGYDRTN-UHFFFAOYSA-N 0 3 196.294 2.461 10 0 AEAEHN Cc1nocc1CN(C)[C@H](C)C(C)C 646053220 375571777 /nfs/dbraw/zinc/57/17/77/375571777.db2.gz FTMBCKIETBTPBF-SNVBAGLBSA-N 0 3 196.294 2.459 10 0 AEAEHN CC[C@H](C)N(C)Cc1conc1C 646055251 375571867 /nfs/dbraw/zinc/57/18/67/375571867.db2.gz GNQGOXHSNREUDO-QMMMGPOBSA-N 0 3 182.267 2.213 10 0 AEAEHN CCN(Cc1conc1C)CC(C)C 646054536 375571904 /nfs/dbraw/zinc/57/19/04/375571904.db2.gz OWRAPBBTMALOBZ-UHFFFAOYSA-N 0 3 196.294 2.461 10 0 AEAEHN CC[C@@H](C)N(C)Cc1conc1C 646055250 375571925 /nfs/dbraw/zinc/57/19/25/375571925.db2.gz GNQGOXHSNREUDO-MRVPVSSYSA-N 0 3 182.267 2.213 10 0 AEAEHN CCCCN(C)Cc1conc1C 646046834 375572387 /nfs/dbraw/zinc/57/23/87/375572387.db2.gz MNAYWIBQXXQOOF-UHFFFAOYSA-N 0 3 182.267 2.215 10 0 AEAEHN Cc1nocc1CN1C2CCC1CC2 646049905 375572461 /nfs/dbraw/zinc/57/24/61/375572461.db2.gz RJEZSNIKQLLAOV-UHFFFAOYSA-N 0 3 192.262 2.110 10 0 AEAEHN CCCN(CC)Cc1conc1C 646046216 375572513 /nfs/dbraw/zinc/57/25/13/375572513.db2.gz KBSSKROQYQDTMF-UHFFFAOYSA-N 0 3 182.267 2.215 10 0 AEAEHN Cc1nocc1CN(C)[C@@H](C)C(C)C 646053219 375572646 /nfs/dbraw/zinc/57/26/46/375572646.db2.gz FTMBCKIETBTPBF-JTQLQIEISA-N 0 3 196.294 2.459 10 0 AEAEHN CC[C@@H](C)CN(C)Cc1conc1C 646061420 375573233 /nfs/dbraw/zinc/57/32/33/375573233.db2.gz MXTWBTNKJCZEMP-SECBINFHSA-N 0 3 196.294 2.461 10 0 AEAEHN Cc1nocc1CN(C)CC(C)(C)C 646064459 375573657 /nfs/dbraw/zinc/57/36/57/375573657.db2.gz ONFOISHCGAPNEE-UHFFFAOYSA-N 0 3 196.294 2.461 10 0 AEAEHN CC[C@H](C)CN(C)Cc1conc1C 646061421 375573716 /nfs/dbraw/zinc/57/37/16/375573716.db2.gz MXTWBTNKJCZEMP-VIFPVBQESA-N 0 3 196.294 2.461 10 0 AEAEHN Cc1nocc1CN(C)CCC1CC1 646103693 375576623 /nfs/dbraw/zinc/57/66/23/375576623.db2.gz VEOSATAWBXOHJM-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN CCN(Cc1conc1C)C1CCC1 646089624 375576805 /nfs/dbraw/zinc/57/68/05/375576805.db2.gz KTLBLUZEKVQHPW-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1ccc(CN2C[C@H](C)[C@@H]2C)cn1 646252607 375586947 /nfs/dbraw/zinc/58/69/47/375586947.db2.gz FVALPMYUBGLSLT-ONGXEEELSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccc(CN2C[C@@H](C)[C@H]2C)cn1 646252606 375587015 /nfs/dbraw/zinc/58/70/15/375587015.db2.gz FVALPMYUBGLSLT-MWLCHTKSSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccc(CN2C[C@@H](C)[C@@H]2C)cn1 646252605 375587538 /nfs/dbraw/zinc/58/75/38/375587538.db2.gz FVALPMYUBGLSLT-KOLCDFICSA-N 0 3 190.290 2.230 10 0 AEAEHN Cc1ccc(CN2C[C@H](C)[C@H]2C)cn1 646252604 375587827 /nfs/dbraw/zinc/58/78/27/375587827.db2.gz FVALPMYUBGLSLT-GXSJLCMTSA-N 0 3 190.290 2.230 10 0 AEAEHN CCOc1cc(C)nc(C)c1C 647881435 375672068 /nfs/dbraw/zinc/67/20/68/375672068.db2.gz SNNVRWOAKUTMBK-UHFFFAOYSA-N 0 3 165.236 2.406 10 0 AEAEHN COCCOc1cc(C)nc(C)c1C 647881414 375672248 /nfs/dbraw/zinc/67/22/48/375672248.db2.gz QZDGQBJNGLFKOG-UHFFFAOYSA-N 0 3 195.262 2.032 10 0 AEAEHN CC1(CC(F)F)CN(CC2CC2)C1 648058514 375687231 /nfs/dbraw/zinc/68/72/31/375687231.db2.gz OBGYJRIQPOVDCF-UHFFFAOYSA-N 0 3 189.249 2.374 10 0 AEAEHN CCN(C)Cc1cc(F)cc(OC)c1 648355865 375710953 /nfs/dbraw/zinc/71/09/53/375710953.db2.gz BDHAQOYPWXNDKL-UHFFFAOYSA-N 0 3 197.253 2.286 10 0 AEAEHN CC(F)(F)CCNCC1(F)CC1 648609587 375723197 /nfs/dbraw/zinc/72/31/97/375723197.db2.gz WJLJGGCEJKGOCZ-UHFFFAOYSA-N 0 3 181.201 2.123 10 0 AEAEHN CCC[C@H](C)CN(C1CC1)C1COC1 648606650 375723510 /nfs/dbraw/zinc/72/35/10/375723510.db2.gz SYSOKVKAKXSHPT-JTQLQIEISA-N 0 3 197.322 2.286 10 0 AEAEHN CCC[C@@H](C)CN(C1CC1)C1COC1 648606651 375723929 /nfs/dbraw/zinc/72/39/29/375723929.db2.gz SYSOKVKAKXSHPT-SNVBAGLBSA-N 0 3 197.322 2.286 10 0 AEAEHN CCC[C@@H](C)CN1CC[C@@H](F)C1 648642290 375727748 /nfs/dbraw/zinc/72/77/48/375727748.db2.gz TWERPULWAYUDKH-NXEZZACHSA-N 0 3 173.275 2.466 10 0 AEAEHN CCC[C@H](C)CN1CC[C@@H](F)C1 648642292 375728273 /nfs/dbraw/zinc/72/82/73/375728273.db2.gz TWERPULWAYUDKH-VHSXEESVSA-N 0 3 173.275 2.466 10 0 AEAEHN CCC[C@H](C)CN1CC[C@H](F)C1 648642291 375728288 /nfs/dbraw/zinc/72/82/88/375728288.db2.gz TWERPULWAYUDKH-UWVGGRQHSA-N 0 3 173.275 2.466 10 0 AEAEHN CCC[C@@H](C)CN1CC[C@H](F)C1 648642293 375728307 /nfs/dbraw/zinc/72/83/07/375728307.db2.gz TWERPULWAYUDKH-ZJUUUORDSA-N 0 3 173.275 2.466 10 0 AEAEHN CCC1(NCc2conc2C)CC1 648684372 375730603 /nfs/dbraw/zinc/73/06/03/375730603.db2.gz HSCXLINTBUPXBB-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN CC/C=C\CNCC1(F)CC1 648716680 375735980 /nfs/dbraw/zinc/73/59/80/375735980.db2.gz CIPMUXHMQFPMRG-ARJAWSKDSA-N 0 3 157.232 2.044 10 0 AEAEHN CC/C=C/CNCC1(F)CC1 648716681 375736154 /nfs/dbraw/zinc/73/61/54/375736154.db2.gz CIPMUXHMQFPMRG-ONEGZZNKSA-N 0 3 157.232 2.044 10 0 AEAEHN CC[C@@H]1C[C@H]1CNCc1conc1C 648731998 375740803 /nfs/dbraw/zinc/74/08/03/375740803.db2.gz LXHMSJCMMDVORH-ZJUUUORDSA-N 0 3 194.278 2.119 10 0 AEAEHN CCCc1ncc(CNCC2CC2)o1 648790093 375746192 /nfs/dbraw/zinc/74/61/92/375746192.db2.gz QSUUGFFMVHUPJW-UHFFFAOYSA-N 0 3 194.278 2.127 10 0 AEAEHN CCc1ncc(CNC[C@H](C)CC)o1 648789512 375746301 /nfs/dbraw/zinc/74/63/01/375746301.db2.gz AYXBJECJXRTCAP-SECBINFHSA-N 0 3 196.294 2.373 10 0 AEAEHN CCc1ncc(CN[C@@H](C)C2CC2)o1 648789545 375746379 /nfs/dbraw/zinc/74/63/79/375746379.db2.gz TXAHEQAMSMPQNS-QMMMGPOBSA-N 0 3 194.278 2.125 10 0 AEAEHN CCc1ncc(CNC2CC(C)C2)o1 648789532 375746394 /nfs/dbraw/zinc/74/63/94/375746394.db2.gz OEGHIWYUECDJJF-UHFFFAOYSA-N 0 3 194.278 2.125 10 0 AEAEHN CCCc1ncc(CNC(C)C)o1 648790787 375746491 /nfs/dbraw/zinc/74/64/91/375746491.db2.gz OZLJDKFFKIRZGK-UHFFFAOYSA-N 0 3 182.267 2.125 10 0 AEAEHN CCc1ncc(CN[C@H](C)C(C)C)o1 648789433 375746549 /nfs/dbraw/zinc/74/65/49/375746549.db2.gz YIFVGAUBVSZPEF-SECBINFHSA-N 0 3 196.294 2.371 10 0 AEAEHN CCc1ncc(CNCC2(C)CC2)o1 648789540 375746562 /nfs/dbraw/zinc/74/65/62/375746562.db2.gz RJYXUXRZKBBKNJ-UHFFFAOYSA-N 0 3 194.278 2.127 10 0 AEAEHN CCc1ncc(CN[C@@H](C)C(C)C)o1 648789434 375746813 /nfs/dbraw/zinc/74/68/13/375746813.db2.gz YIFVGAUBVSZPEF-VIFPVBQESA-N 0 3 196.294 2.371 10 0 AEAEHN CCc1ncc(CNC2CCCC2)o1 648789432 375746872 /nfs/dbraw/zinc/74/68/72/375746872.db2.gz XYYBVEOXPIBGNJ-UHFFFAOYSA-N 0 3 194.278 2.269 10 0 AEAEHN CCc1ncc(CNCC(C)(C)C)o1 648789419 375746888 /nfs/dbraw/zinc/74/68/88/375746888.db2.gz RAMJSZTYJHCDSV-UHFFFAOYSA-N 0 3 196.294 2.373 10 0 AEAEHN CCc1ncc(CNC[C@@H](C)CC)o1 648789513 375746937 /nfs/dbraw/zinc/74/69/37/375746937.db2.gz AYXBJECJXRTCAP-VIFPVBQESA-N 0 3 196.294 2.373 10 0 AEAEHN CCCc1ncc(CNCC(C)C)o1 648790084 375746948 /nfs/dbraw/zinc/74/69/48/375746948.db2.gz OEIPGZRMERJPGZ-UHFFFAOYSA-N 0 3 196.294 2.373 10 0 AEAEHN CCc1ncc(CN[C@H](C)C2CC2)o1 648789544 375746972 /nfs/dbraw/zinc/74/69/72/375746972.db2.gz TXAHEQAMSMPQNS-MRVPVSSYSA-N 0 3 194.278 2.125 10 0 AEAEHN CCC(C)(C)[C@H](C)NCc1cc[nH]n1 651224728 409323817 /nfs/dbraw/zinc/32/38/17/409323817.db2.gz TZZMASPASSGJOW-VIFPVBQESA-N 0 3 195.310 2.324 10 0 AEAEHN CCC(C)(C)[C@@H](C)NCc1cc[nH]n1 651224727 409324491 /nfs/dbraw/zinc/32/44/91/409324491.db2.gz TZZMASPASSGJOW-SECBINFHSA-N 0 3 195.310 2.324 10 0 AEAEHN CCc1ncc(CN[C@@H](C)CC)o1 651461916 409330472 /nfs/dbraw/zinc/33/04/72/409330472.db2.gz BKLAMJRTWACQLL-QMMMGPOBSA-N 0 3 182.267 2.125 10 0 AEAEHN CCc1ncc(CN[C@H](C)CC)o1 651461914 409331201 /nfs/dbraw/zinc/33/12/01/409331201.db2.gz BKLAMJRTWACQLL-MRVPVSSYSA-N 0 3 182.267 2.125 10 0 AEAEHN CCN(C)Cc1cc2cnccc2o1 651611986 409335280 /nfs/dbraw/zinc/33/52/80/409335280.db2.gz VAOIMCBOWDWUGM-UHFFFAOYSA-N 0 3 190.246 2.280 10 0 AEAEHN CCCCCNCc1cc(C)no1 44298668 409356288 /nfs/dbraw/zinc/35/62/88/409356288.db2.gz OMKMVEGUISIIEL-UHFFFAOYSA-N 0 3 182.267 2.263 10 0 AEAEHN Cc1nsc(C)c1CN1CCCC1 653488187 409372304 /nfs/dbraw/zinc/37/23/04/409372304.db2.gz GBZMNVCXHHXDHH-UHFFFAOYSA-N 0 3 196.319 2.356 10 0 AEAEHN CC1CCC(NCc2ncc[nH]2)CC1 49714555 409373739 /nfs/dbraw/zinc/37/37/39/409373739.db2.gz HHYTYAZFTUKJOQ-UHFFFAOYSA-N 0 3 193.294 2.078 10 0 AEAEHN CCN1CCC=C(c2ccccn2)C1 653700571 409374771 /nfs/dbraw/zinc/37/47/71/409374771.db2.gz HIQXQOKLJFVJAH-UHFFFAOYSA-N 0 3 188.274 2.191 10 0 AEAEHN CCN1CC[C@H](c2cc(C)ccn2)C1 653748106 409377282 /nfs/dbraw/zinc/37/72/82/409377282.db2.gz FWVKLOZDYCCUMZ-NSHDSACASA-N 0 3 190.290 2.199 10 0 AEAEHN CCN1CC[C@@H](c2cc(C)ccn2)C1 653748105 409378239 /nfs/dbraw/zinc/37/82/39/409378239.db2.gz FWVKLOZDYCCUMZ-LLVKDONJSA-N 0 3 190.290 2.199 10 0 AEAEHN CCN1C[C@@H](C)OC2(CCCCC2)C1 653908221 409385447 /nfs/dbraw/zinc/38/54/47/409385447.db2.gz HRSLTESBDVQUOF-LLVKDONJSA-N 0 3 197.322 2.430 10 0 AEAEHN CCN1C[C@H](C)OC2(CCCCC2)C1 653908222 409385731 /nfs/dbraw/zinc/38/57/31/409385731.db2.gz HRSLTESBDVQUOF-NSHDSACASA-N 0 3 197.322 2.430 10 0 AEAEHN CC[C@@H](C)c1csc(CNC)n1 53293938 409387420 /nfs/dbraw/zinc/38/74/20/409387420.db2.gz SSQZUTPAICGRSR-SSDOTTSWSA-N 0 3 184.308 2.376 10 0 AEAEHN CC[C@H](C)c1csc(CNC)n1 53293941 409387554 /nfs/dbraw/zinc/38/75/54/409387554.db2.gz SSQZUTPAICGRSR-ZETCQYMHSA-N 0 3 184.308 2.376 10 0 AEAEHN CCNCc1nc(C2CC2)cs1 68906471 409406846 /nfs/dbraw/zinc/40/68/46/409406846.db2.gz NCSNBEUYEJRTPO-UHFFFAOYSA-N 0 3 182.292 2.130 10 0 AEAEHN COc1cc(C)nc(C)c1C 655677597 409413112 /nfs/dbraw/zinc/41/31/12/409413112.db2.gz MPWSVSWAKHLJEP-UHFFFAOYSA-N 0 3 151.209 2.015 10 0 AEAEHN CC[C@@H](C)CN[C@@H](C)c1nccn1C 70008316 409415830 /nfs/dbraw/zinc/41/58/30/409415830.db2.gz NAGNNNCTBCNSGL-ZJUUUORDSA-N 0 3 195.310 2.117 10 0 AEAEHN Cc1cc(C)n(-c2ccncc2C)n1 70048275 409416151 /nfs/dbraw/zinc/41/61/51/409416151.db2.gz FTMKWNRFWYLDNQ-UHFFFAOYSA-N 0 3 187.246 2.193 10 0 AEAEHN CC[C@H](C)CN[C@H](C)c1nccn1C 70008324 409416162 /nfs/dbraw/zinc/41/61/62/409416162.db2.gz NAGNNNCTBCNSGL-VHSXEESVSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@H](C)CN[C@@H](C)c1nccn1C 70008320 409416373 /nfs/dbraw/zinc/41/63/73/409416373.db2.gz NAGNNNCTBCNSGL-UWVGGRQHSA-N 0 3 195.310 2.117 10 0 AEAEHN CC[C@@H](C)CN[C@H](C)c1nccn1C 70008321 409417249 /nfs/dbraw/zinc/41/72/49/409417249.db2.gz NAGNNNCTBCNSGL-NXEZZACHSA-N 0 3 195.310 2.117 10 0 AEAEHN Cc1nocc1CNC1(C)CC=CC1 655816147 409418243 /nfs/dbraw/zinc/41/82/43/409418243.db2.gz POGDPPXCDIMEDK-UHFFFAOYSA-N 0 3 192.262 2.181 10 0 AEAEHN CC1(CN2CC3(C2)CC3(F)F)CC1 656265330 409427468 /nfs/dbraw/zinc/42/74/68/409427468.db2.gz JNHPWCSRIXUQFT-UHFFFAOYSA-N 0 3 187.233 2.128 10 0 AEAEHN CC[C@@H](C)CN1CC2(C1)CC2(F)F 656265754 409427847 /nfs/dbraw/zinc/42/78/47/409427847.db2.gz ZKVXVAIBTIBLDR-MRVPVSSYSA-N 0 3 189.249 2.374 10 0 AEAEHN CC[C@H](C)CN1CC2(C1)CC2(F)F 656265762 409427914 /nfs/dbraw/zinc/42/79/14/409427914.db2.gz ZKVXVAIBTIBLDR-QMMMGPOBSA-N 0 3 189.249 2.374 10 0 AEAEHN CN(CCOCC1CCCC1)C1CC1 656411489 409429382 /nfs/dbraw/zinc/42/93/82/409429382.db2.gz HKBGTTGELBCELW-UHFFFAOYSA-N 0 3 197.322 2.287 10 0 AEAEHN CC[C@@H]1CCCN(CC(C)=O)CC1 70613852 409429740 /nfs/dbraw/zinc/42/97/40/409429740.db2.gz CYWYQENTFOVUPF-LLVKDONJSA-N 0 3 183.295 2.088 10 0 AEAEHN CC[C@H]1CCCN(CC(C)=O)CC1 70613853 409431402 /nfs/dbraw/zinc/43/14/02/409431402.db2.gz CYWYQENTFOVUPF-NSHDSACASA-N 0 3 183.295 2.088 10 0 AEAEHN CC1(CN2CC3(CC(F)C3)C2)CC1 656695745 409447045 /nfs/dbraw/zinc/44/70/45/409447045.db2.gz RFIWKWMFOSESEG-UHFFFAOYSA-N 0 3 183.270 2.220 10 0 AEAEHN CC1(CN2CC(C(F)F)C2)CCC1 656689993 409447113 /nfs/dbraw/zinc/44/71/13/409447113.db2.gz FCHMGVAWRDMIFU-UHFFFAOYSA-N 0 3 189.249 2.374 10 0 AEAEHN FC(F)(F)CC1CN(CC2CC2)C1 656686806 409447301 /nfs/dbraw/zinc/44/73/01/409447301.db2.gz XZEUBZUMZAVBIU-UHFFFAOYSA-N 0 3 193.212 2.281 10 0 AEAEHN CCOC1(C)CN(C[C@H](C)CC)C1 656736135 409448557 /nfs/dbraw/zinc/44/85/57/409448557.db2.gz VUOMDEMFIVKVRS-SNVBAGLBSA-N 0 3 185.311 2.143 10 0 AEAEHN CCOC1(C)CN(C[C@@H](C)CC)C1 656736134 409449126 /nfs/dbraw/zinc/44/91/26/409449126.db2.gz VUOMDEMFIVKVRS-JTQLQIEISA-N 0 3 185.311 2.143 10 0 AEAEHN COCC1(C)CN(CC2(C)CCC2)C1 656780077 409450173 /nfs/dbraw/zinc/45/01/73/409450173.db2.gz IBDIDPJQZSPSJO-UHFFFAOYSA-N 0 3 197.322 2.145 10 0 AEAEHN CC(C)(C)C1CN(CC2(F)CC2)C1 656834260 409451911 /nfs/dbraw/zinc/45/19/11/409451911.db2.gz YTLWLJJBZIFQPA-UHFFFAOYSA-N 0 3 185.286 2.466 10 0 AEAEHN CC[C@@H]1CCCCCN1CC(C)=O 108296200 409458373 /nfs/dbraw/zinc/45/83/73/409458373.db2.gz XZKQPZAOYSWWHS-LLVKDONJSA-N 0 3 183.295 2.230 10 0 AEAEHN CC[C@H]1CCCCCN1CC(C)=O 108296203 409460330 /nfs/dbraw/zinc/46/03/30/409460330.db2.gz XZKQPZAOYSWWHS-NSHDSACASA-N 0 3 183.295 2.230 10 0 AEAEHN CC(=O)CN(CCC(C)C)C1CC1 109277549 409461118 /nfs/dbraw/zinc/46/11/18/409461118.db2.gz ASCDYRNOBYXLIX-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN Cc1nc(CN[C@H](C)C(C)C)[nH]c1C 657292378 409467077 /nfs/dbraw/zinc/46/70/77/409467077.db2.gz JBTCDPCBUBVZNN-MRVPVSSYSA-N 0 3 195.310 2.161 10 0 AEAEHN Cc1nc(CN[C@@H](C)C(C)C)[nH]c1C 657292382 409467868 /nfs/dbraw/zinc/46/78/68/409467868.db2.gz JBTCDPCBUBVZNN-QMMMGPOBSA-N 0 3 195.310 2.161 10 0 AEAEHN CC[C@@H](NCc1nc(C)c[nH]1)C(C)C 657329034 409469219 /nfs/dbraw/zinc/46/92/19/409469219.db2.gz HPBIVGLVFGUWQU-SNVBAGLBSA-N 0 3 195.310 2.242 10 0 AEAEHN CC[C@H](NCc1nc(C)c[nH]1)C(C)C 657329033 409469340 /nfs/dbraw/zinc/46/93/40/409469340.db2.gz HPBIVGLVFGUWQU-JTQLQIEISA-N 0 3 195.310 2.242 10 0 AEAEHN Cc1c[nH]c(CNC[C@H](C)C(C)C)n1 657371478 409473656 /nfs/dbraw/zinc/47/36/56/409473656.db2.gz VYGGKNIZXMIUDE-VIFPVBQESA-N 0 3 195.310 2.100 10 0 AEAEHN CCC(C)(CC)NCc1nc(C)c[nH]1 657367297 409473759 /nfs/dbraw/zinc/47/37/59/409473759.db2.gz QBTIBCPKVQFKTF-UHFFFAOYSA-N 0 3 195.310 2.386 10 0 AEAEHN CCC1(NCc2nc(C)c[nH]2)CCC1 657384769 409474313 /nfs/dbraw/zinc/47/43/13/409474313.db2.gz PJYZKGYMRWETCY-UHFFFAOYSA-N 0 3 193.294 2.140 10 0 AEAEHN Cc1c[nH]c(CNC[C@@H](C)C(C)C)n1 657371477 409474319 /nfs/dbraw/zinc/47/43/19/409474319.db2.gz VYGGKNIZXMIUDE-SECBINFHSA-N 0 3 195.310 2.100 10 0 AEAEHN Cc1c[nH]c(CN[C@H](C)C(C)(C)C)n1 657502126 409479716 /nfs/dbraw/zinc/47/97/16/409479716.db2.gz FGAVPKMMRFZSLN-SECBINFHSA-N 0 3 195.310 2.242 10 0 AEAEHN CCC(C)(C)[C@H](C)NCc1ncc[nH]1 657580018 409481069 /nfs/dbraw/zinc/48/10/69/409481069.db2.gz SQBPLLXEISNHLB-VIFPVBQESA-N 0 3 195.310 2.324 10 0 AEAEHN CCC(C)(C)[C@@H](C)NCc1ncc[nH]1 657580017 409481815 /nfs/dbraw/zinc/48/18/15/409481815.db2.gz SQBPLLXEISNHLB-SECBINFHSA-N 0 3 195.310 2.324 10 0 AEAEHN CC(C)(F)CCNCC1(F)CC1 657644691 409487607 /nfs/dbraw/zinc/48/76/07/409487607.db2.gz ATDGYAVAZZXSHP-UHFFFAOYSA-N 0 3 177.238 2.216 10 0 AEAEHN CC[C@](C)(NCc1ncc[nH]1)C1CC1 657690371 409489442 /nfs/dbraw/zinc/48/94/42/409489442.db2.gz URHVOBGTAVIIEO-NSHDSACASA-N 0 3 193.294 2.078 10 0 AEAEHN C[C@]1(CNCC2(F)CC2)CC1(F)F 657664392 409489645 /nfs/dbraw/zinc/48/96/45/409489645.db2.gz HPFLIGRYDICKMB-SSDOTTSWSA-N 0 3 193.212 2.123 10 0 AEAEHN CC[C@@](C)(NCc1cc[nH]n1)C1CC1 657687534 409489770 /nfs/dbraw/zinc/48/97/70/409489770.db2.gz HVRVNERTPRQJLI-LLVKDONJSA-N 0 3 193.294 2.078 10 0 AEAEHN CC[C@](C)(NCc1cc[nH]n1)C1CC1 657687535 409489969 /nfs/dbraw/zinc/48/99/69/409489969.db2.gz HVRVNERTPRQJLI-NSHDSACASA-N 0 3 193.294 2.078 10 0 AEAEHN CC[C@@](C)(NCc1cocn1)C1CC1 657688318 409490100 /nfs/dbraw/zinc/49/01/00/409490100.db2.gz KMMTYZTWOHMXGS-LLVKDONJSA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@](C)(NCc1cocn1)C1CC1 657688320 409490277 /nfs/dbraw/zinc/49/02/77/409490277.db2.gz KMMTYZTWOHMXGS-NSHDSACASA-N 0 3 194.278 2.343 10 0 AEAEHN C[C@@]1(CNCC2(F)CC2)CC1(F)F 657664395 409490336 /nfs/dbraw/zinc/49/03/36/409490336.db2.gz HPFLIGRYDICKMB-ZETCQYMHSA-N 0 3 193.212 2.123 10 0 AEAEHN CC[C@@](C)(NCc1ncc[nH]1)C1CC1 657690370 409490346 /nfs/dbraw/zinc/49/03/46/409490346.db2.gz URHVOBGTAVIIEO-LLVKDONJSA-N 0 3 193.294 2.078 10 0 AEAEHN Cc1nocc1CN[C@@]1(C)CC1(C)C 657760982 409491090 /nfs/dbraw/zinc/49/10/90/409491090.db2.gz COVNBHVJOISKNU-NSHDSACASA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nocc1CN[C@]1(C)CC1(C)C 657760981 409491121 /nfs/dbraw/zinc/49/11/21/409491121.db2.gz COVNBHVJOISKNU-LLVKDONJSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1occc1CN[C@H]1[C@H]2CCC[C@H]21 657734793 409491185 /nfs/dbraw/zinc/49/11/85/409491185.db2.gz UUKOOWIHFYEXLM-ZSBIGDGJSA-N 0 3 191.274 2.476 10 0 AEAEHN FC1(CNCC2=CCCC2)CC1 657749961 409491260 /nfs/dbraw/zinc/49/12/60/409491260.db2.gz VPALJNWZYHICNX-UHFFFAOYSA-N 0 3 169.243 2.188 10 0 AEAEHN Cc1ccc(CN[C@H]2[C@H]3CCC[C@H]32)o1 657736415 409491513 /nfs/dbraw/zinc/49/15/13/409491513.db2.gz CAMCPZWKIGBNOH-ZSBIGDGJSA-N 0 3 191.274 2.476 10 0 AEAEHN Cc1occc1CN[C@@H]1[C@H]2CCC[C@H]21 657734792 409491532 /nfs/dbraw/zinc/49/15/32/409491532.db2.gz UUKOOWIHFYEXLM-GDNZZTSVSA-N 0 3 191.274 2.476 10 0 AEAEHN c1coc(CN[C@H]2[C@H]3CCC[C@H]32)c1 657738581 409491710 /nfs/dbraw/zinc/49/17/10/409491710.db2.gz UQWOPYMHANKWTO-JGPRNRPPSA-N 0 3 177.247 2.168 10 0 AEAEHN Cc1ccoc1CN[C@H]1[C@H]2CCC[C@H]21 657733925 409491736 /nfs/dbraw/zinc/49/17/36/409491736.db2.gz UQMXBDBEAKWAGX-PEGIJTEDSA-N 0 3 191.274 2.476 10 0 AEAEHN c1ncc(CN[C@H]2[C@H]3CCC[C@H]32)s1 657733903 409491756 /nfs/dbraw/zinc/49/17/56/409491756.db2.gz SBHKEYQDMWYWBJ-ILWJIGKKSA-N 0 3 194.303 2.031 10 0 AEAEHN FC1(CNCCCc2ccco2)CC1 657783580 409493735 /nfs/dbraw/zinc/49/37/35/409493735.db2.gz UNIOFEHQJGMTFM-UHFFFAOYSA-N 0 3 197.253 2.304 10 0 AEAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccco1 133956003 409498650 /nfs/dbraw/zinc/49/86/50/409498650.db2.gz KVORAHBBDLDACH-IVZWLZJFSA-N 0 3 195.262 2.108 10 0 AEAEHN C[C@H](NCCF)C(C)(C)C(F)F 658002774 409503882 /nfs/dbraw/zinc/50/38/82/409503882.db2.gz KQILIBXVEGQTFU-LURJTMIESA-N 0 3 183.217 2.225 10 0 AEAEHN C[C@@H](NCCF)C(C)(C)C(F)F 658002775 409504065 /nfs/dbraw/zinc/50/40/65/409504065.db2.gz KQILIBXVEGQTFU-ZCFIWIBFSA-N 0 3 183.217 2.225 10 0 AEAEHN CCC(C)(C)CCN1CCOCC1 203832352 409510441 /nfs/dbraw/zinc/51/04/41/409510441.db2.gz FPDCSJRWWKAKPX-UHFFFAOYSA-N 0 3 185.311 2.145 10 0 AEAEHN CCC[C@@H]1CCCCN1CC(C)=O 213502636 409511991 /nfs/dbraw/zinc/51/19/91/409511991.db2.gz CLYFZKNAGUAIMM-LLVKDONJSA-N 0 3 183.295 2.230 10 0 AEAEHN CCC[C@H]1CCCCN1CC(C)=O 213502697 409512145 /nfs/dbraw/zinc/51/21/45/409512145.db2.gz CLYFZKNAGUAIMM-NSHDSACASA-N 0 3 183.295 2.230 10 0 AEAEHN CC(C)=CCCN1CCOCC1(C)C 659857257 409557412 /nfs/dbraw/zinc/55/74/12/409557412.db2.gz IDEFAADRXJBYKN-UHFFFAOYSA-N 0 3 197.322 2.454 10 0 AEAEHN CC(C)(C)NCc1cc(C2CC2)no1 659873184 409559100 /nfs/dbraw/zinc/55/91/00/409559100.db2.gz LXMIEAPPEFRSDZ-UHFFFAOYSA-N 0 3 194.278 2.440 10 0 AEAEHN C[C@@H]1[C@@H](NCc2ccoc2)C[C@H]1C 306395273 409563762 /nfs/dbraw/zinc/56/37/62/409563762.db2.gz GOARFBIHKXCWFK-YWVKMMECSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@H]1[C@H](C)C[C@H]1NCc1ccoc1 306395271 409565705 /nfs/dbraw/zinc/56/57/05/409565705.db2.gz GOARFBIHKXCWFK-WCABBAIRSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@@H]1C[C@@H](NCc2ccoc2)[C@@H]1C 306395267 409566299 /nfs/dbraw/zinc/56/62/99/409566299.db2.gz GOARFBIHKXCWFK-FXPVBKGRSA-N 0 3 179.263 2.414 10 0 AEAEHN C[C@@H]1C[C@H](NCc2ccoc2)[C@@H]1C 306395269 409566463 /nfs/dbraw/zinc/56/64/63/409566463.db2.gz GOARFBIHKXCWFK-KKZNHRDASA-N 0 3 179.263 2.414 10 0 AEAEHN C1CC(CCN2C[C@@H]3CC[C@H](C2)O3)C1 659969910 409568804 /nfs/dbraw/zinc/56/88/04/409568804.db2.gz KJCSXFMQDHHNFB-TXEJJXNPSA-N 0 3 195.306 2.040 10 0 AEAEHN C1=C(CNC2CSC2)CCCC1 306576888 409577200 /nfs/dbraw/zinc/57/72/00/409577200.db2.gz KVSNLHCONLFCGA-UHFFFAOYSA-N 0 3 183.320 2.192 10 0 AEAEHN Cc1csc(CNC2CSC2)c1 306751023 409588095 /nfs/dbraw/zinc/58/80/95/409588095.db2.gz LBGGFZFZFNMDEZ-UHFFFAOYSA-N 0 3 199.344 2.262 10 0 AEAEHN Cc1nc(CN[C@H]2CCC[C@H]2C)co1 660410197 409599997 /nfs/dbraw/zinc/59/99/97/409599997.db2.gz LVWZQVHSHCEGEO-KCJUWKMLSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nc(CN[C@H]2CCC[C@@H]2C)co1 660410198 409600789 /nfs/dbraw/zinc/60/07/89/409600789.db2.gz LVWZQVHSHCEGEO-KWQFWETISA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nc(CN[C@@H]2CCC[C@@H]2C)co1 660410196 409601445 /nfs/dbraw/zinc/60/14/45/409601445.db2.gz LVWZQVHSHCEGEO-GZMMTYOYSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nc(CN[C@@H]2CCC[C@H]2C)co1 660410199 409601905 /nfs/dbraw/zinc/60/19/05/409601905.db2.gz LVWZQVHSHCEGEO-LDYMZIIASA-N 0 3 194.278 2.261 10 0 AEAEHN CC(C)=CCCN(C1CC1)C1COC1 660646852 409611910 /nfs/dbraw/zinc/61/19/10/409611910.db2.gz FPNYBZUTQYTATR-UHFFFAOYSA-N 0 3 195.306 2.206 10 0 AEAEHN c1coc(CN2C[C@@H]3CCC[C@@H]32)c1 307066629 409611982 /nfs/dbraw/zinc/61/19/82/409611982.db2.gz RUKQGWQVKPCNSL-ONGXEEELSA-N 0 3 177.247 2.264 10 0 AEAEHN c1coc(CN2C[C@H]3CCC[C@@H]32)c1 307066616 409612869 /nfs/dbraw/zinc/61/28/69/409612869.db2.gz RUKQGWQVKPCNSL-KOLCDFICSA-N 0 3 177.247 2.264 10 0 AEAEHN c1coc(CN2C[C@@H]3CCC[C@H]32)c1 307066609 409613839 /nfs/dbraw/zinc/61/38/39/409613839.db2.gz RUKQGWQVKPCNSL-GXSJLCMTSA-N 0 3 177.247 2.264 10 0 AEAEHN c1coc(CN2C[C@H]3CCC[C@H]32)c1 307066623 409613898 /nfs/dbraw/zinc/61/38/98/409613898.db2.gz RUKQGWQVKPCNSL-MWLCHTKSSA-N 0 3 177.247 2.264 10 0 AEAEHN F[C@H]1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 660692970 409616177 /nfs/dbraw/zinc/61/61/77/409616177.db2.gz VAVMWLJUBGGICJ-KXNHARMFSA-N 0 3 197.297 2.466 10 0 AEAEHN F[C@H]1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1 660691139 409616497 /nfs/dbraw/zinc/61/64/97/409616497.db2.gz FZBPFCQTTOUEIS-VLEAKVRGSA-N 0 3 183.270 2.076 10 0 AEAEHN F[C@H]1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 660692975 409616550 /nfs/dbraw/zinc/61/65/50/409616550.db2.gz VAVMWLJUBGGICJ-WYUUTHIRSA-N 0 3 197.297 2.466 10 0 AEAEHN F[C@@H]1CCN(CCC2CCC2)C1 660690970 409616634 /nfs/dbraw/zinc/61/66/34/409616634.db2.gz FAMWJXJVECHSFS-SNVBAGLBSA-N 0 3 171.259 2.220 10 0 AEAEHN c1coc(CN2CC(C3CC3)C2)c1 307168776 409623643 /nfs/dbraw/zinc/62/36/43/409623643.db2.gz VXXTZNDXEQUCRB-UHFFFAOYSA-N 0 3 177.247 2.121 10 0 AEAEHN CC[C@@H](C)N(CC)Cc1ccn(C)n1 661104461 409628074 /nfs/dbraw/zinc/62/80/74/409628074.db2.gz NVEFWRZIVVKCGJ-SNVBAGLBSA-N 0 3 195.310 2.041 10 0 AEAEHN CC[C@H](C)N(CC)Cc1ccn(C)n1 661104460 409631725 /nfs/dbraw/zinc/63/17/25/409631725.db2.gz NVEFWRZIVVKCGJ-JTQLQIEISA-N 0 3 195.310 2.041 10 0 AEAEHN C[C@@H]1C[C@@H](NCc2nccs2)[C@@H]1C 307287205 409632149 /nfs/dbraw/zinc/63/21/49/409632149.db2.gz UAKDCIXHEOIFJH-IWSPIJDZSA-N 0 3 196.319 2.277 10 0 AEAEHN C[C@H]1[C@H](C)C[C@H]1NCc1nccs1 307287204 409632661 /nfs/dbraw/zinc/63/26/61/409632661.db2.gz UAKDCIXHEOIFJH-HRDYMLBCSA-N 0 3 196.319 2.277 10 0 AEAEHN C[C@@H]1C[C@H](NCc2nccs2)[C@@H]1C 307287203 409633133 /nfs/dbraw/zinc/63/31/33/409633133.db2.gz UAKDCIXHEOIFJH-HLTSFMKQSA-N 0 3 196.319 2.277 10 0 AEAEHN C[C@@H]1[C@@H](NCc2nccs2)C[C@H]1C 307287206 409633268 /nfs/dbraw/zinc/63/32/68/409633268.db2.gz UAKDCIXHEOIFJH-VGMNWLOBSA-N 0 3 196.319 2.277 10 0 AEAEHN CCN1CCC(c2ccco2)CC1 661163164 409633888 /nfs/dbraw/zinc/63/38/88/409633888.db2.gz KATQDMIOPZNRHV-UHFFFAOYSA-N 0 3 179.263 2.479 10 0 AEAEHN CCCCN1CCO[C@](C)(C2CC2)C1 661167243 409634477 /nfs/dbraw/zinc/63/44/77/409634477.db2.gz HWCDMLNAVISYSG-LBPRGKRZSA-N 0 3 197.322 2.287 10 0 AEAEHN CCCCN1CCO[C@@](C)(C2CC2)C1 661167241 409634633 /nfs/dbraw/zinc/63/46/33/409634633.db2.gz HWCDMLNAVISYSG-GFCCVEGCSA-N 0 3 197.322 2.287 10 0 AEAEHN Cc1nocc1CNC1(C)CCC1 307321208 409635182 /nfs/dbraw/zinc/63/51/82/409635182.db2.gz QBGZMBXMXDRXRQ-UHFFFAOYSA-N 0 3 180.251 2.015 10 0 AEAEHN CC[C@@H](C)N1CCO[C@@](C)(C2CC2)C1 661168383 409636714 /nfs/dbraw/zinc/63/67/14/409636714.db2.gz NMLJJZWKJZWVMD-ZYHUDNBSSA-N 0 3 197.322 2.286 10 0 AEAEHN CC[C@@H](C)N1CCO[C@](C)(C2CC2)C1 661168382 409637251 /nfs/dbraw/zinc/63/72/51/409637251.db2.gz NMLJJZWKJZWVMD-PWSUYJOCSA-N 0 3 197.322 2.286 10 0 AEAEHN CC(C)CN1CCO[C@](C)(C2CC2)C1 661171511 409637587 /nfs/dbraw/zinc/63/75/87/409637587.db2.gz WTECJRPFMJLSNJ-LBPRGKRZSA-N 0 3 197.322 2.143 10 0 AEAEHN CC[C@H](C)N1CCO[C@](C)(C2CC2)C1 661168381 409637740 /nfs/dbraw/zinc/63/77/40/409637740.db2.gz NMLJJZWKJZWVMD-JQWIXIFHSA-N 0 3 197.322 2.286 10 0 AEAEHN CC[C@H](C)N1CCO[C@@](C)(C2CC2)C1 661168380 409638755 /nfs/dbraw/zinc/63/87/55/409638755.db2.gz NMLJJZWKJZWVMD-CMPLNLGQSA-N 0 3 197.322 2.286 10 0 AEAEHN CC(C)CN1CCO[C@@](C)(C2CC2)C1 661171510 409638823 /nfs/dbraw/zinc/63/88/23/409638823.db2.gz WTECJRPFMJLSNJ-GFCCVEGCSA-N 0 3 197.322 2.143 10 0 AEAEHN CCCCN1CC2(CCC2)OC[C@@H]1C 661466114 409641681 /nfs/dbraw/zinc/64/16/81/409641681.db2.gz KJADLSKEYIGOAM-NSHDSACASA-N 0 3 197.322 2.430 10 0 AEAEHN CCCN1CC2(CCC2)OC[C@@H]1C 661465029 409642327 /nfs/dbraw/zinc/64/23/27/409642327.db2.gz FCFIBHUQCAIYRY-JTQLQIEISA-N 0 3 183.295 2.040 10 0 AEAEHN CCCN1CC2(CCC2)OC[C@H]1C 661465030 409642680 /nfs/dbraw/zinc/64/26/80/409642680.db2.gz FCFIBHUQCAIYRY-SNVBAGLBSA-N 0 3 183.295 2.040 10 0 AEAEHN C[C@H]1COC2(CCC2)CN1CC1CC1 661468459 409642726 /nfs/dbraw/zinc/64/27/26/409642726.db2.gz ZPWKPFYHYRQZBZ-JTQLQIEISA-N 0 3 195.306 2.040 10 0 AEAEHN CCCCN1CC2(CCC2)OC[C@H]1C 661466113 409642846 /nfs/dbraw/zinc/64/28/46/409642846.db2.gz KJADLSKEYIGOAM-LLVKDONJSA-N 0 3 197.322 2.430 10 0 AEAEHN CC(C)CCN1C[C@@H](C)C(=O)[C@H](C)C1 661550740 409644824 /nfs/dbraw/zinc/64/48/24/409644824.db2.gz ISKCWMYDYISKBC-GHMZBOCLSA-N 0 3 197.322 2.189 10 0 AEAEHN CC[C@H](C)CN1C[C@@H](C)C(=O)[C@H](C)C1 661545178 409645087 /nfs/dbraw/zinc/64/50/87/409645087.db2.gz RFMYWEPBTPGHHU-HBNTYKKESA-N 0 3 197.322 2.189 10 0 AEAEHN CC[C@@H](C)CN1C[C@@H](C)C(=O)[C@H](C)C1 661545177 409645563 /nfs/dbraw/zinc/64/55/63/409645563.db2.gz RFMYWEPBTPGHHU-GMTAPVOTSA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@@H]1CN(C2CCCC2)C[C@@H](C)C1=O 661545278 409646442 /nfs/dbraw/zinc/64/64/42/409646442.db2.gz VEVBWYIRFPLRNT-NXEZZACHSA-N 0 3 195.306 2.086 10 0 AEAEHN CC(C)[C@@H](C)N1C[C@@H](C)C(=O)[C@H](C)C1 661539286 409646481 /nfs/dbraw/zinc/64/64/81/409646481.db2.gz PJPYRRMWHQKATN-GMTAPVOTSA-N 0 3 197.322 2.188 10 0 AEAEHN CCC[C@@H](C)N1C[C@@H](C)C(=O)[C@H](C)C1 661540165 409646657 /nfs/dbraw/zinc/64/66/57/409646657.db2.gz YXAHWXAXORDFHD-GMTAPVOTSA-N 0 3 197.322 2.332 10 0 AEAEHN CCC[C@H](C)N1C[C@@H](C)C(=O)[C@H](C)C1 661540166 409646801 /nfs/dbraw/zinc/64/68/01/409646801.db2.gz YXAHWXAXORDFHD-MXWKQRLJSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H]1COC2(CCC2)CN1CC1CC1 661468461 409646833 /nfs/dbraw/zinc/64/68/33/409646833.db2.gz ZPWKPFYHYRQZBZ-SNVBAGLBSA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@H]1c2ccccc2C[C@H]1NCCF 661519548 409647031 /nfs/dbraw/zinc/64/70/31/409647031.db2.gz NGXCSQACOMMLAE-JOYOIKCWSA-N 0 3 193.265 2.274 10 0 AEAEHN CCCCCN1C[C@@H](C)C(=O)[C@H](C)C1 661544801 409647726 /nfs/dbraw/zinc/64/77/26/409647726.db2.gz KHEVXULXYQUWMD-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN CC(C)[C@H](C)N1C[C@@H](C)C(=O)[C@H](C)C1 661539288 409647918 /nfs/dbraw/zinc/64/79/18/409647918.db2.gz PJPYRRMWHQKATN-MXWKQRLJSA-N 0 3 197.322 2.188 10 0 AEAEHN CC[C@@H](NCc1coc(C)n1)C1CC1 661761162 409662222 /nfs/dbraw/zinc/66/22/22/409662222.db2.gz DCXOOZGJHBTGEH-LLVKDONJSA-N 0 3 194.278 2.261 10 0 AEAEHN CC[C@H](NCc1coc(C)n1)C1CC1 661761163 409664012 /nfs/dbraw/zinc/66/40/12/409664012.db2.gz DCXOOZGJHBTGEH-NSHDSACASA-N 0 3 194.278 2.261 10 0 AEAEHN CCN1CC2(CCCC2)OC[C@H]1C 661985333 409678304 /nfs/dbraw/zinc/67/83/04/409678304.db2.gz RHRQROGBZABADM-SNVBAGLBSA-N 0 3 183.295 2.040 10 0 AEAEHN CCN1CC2(CCCC2)OC[C@@H]1C 661985332 409679071 /nfs/dbraw/zinc/67/90/71/409679071.db2.gz RHRQROGBZABADM-JTQLQIEISA-N 0 3 183.295 2.040 10 0 AEAEHN CCCN1CC2(CCCC2)OC[C@@H]1C 661982362 409679380 /nfs/dbraw/zinc/67/93/80/409679380.db2.gz DXGBYJNWWICLSF-NSHDSACASA-N 0 3 197.322 2.430 10 0 AEAEHN CCCN1CC2(CCCC2)OC[C@H]1C 661982361 409679407 /nfs/dbraw/zinc/67/94/07/409679407.db2.gz DXGBYJNWWICLSF-LLVKDONJSA-N 0 3 197.322 2.430 10 0 AEAEHN CC[C@H]1CCN1CCC(F)(F)F 308072046 409680542 /nfs/dbraw/zinc/68/05/42/409680542.db2.gz CHFFENCPKFHQJE-ZETCQYMHSA-N 0 3 181.201 2.423 10 0 AEAEHN CC[C@@H]1CCN1CCC(F)(F)F 308072045 409681489 /nfs/dbraw/zinc/68/14/89/409681489.db2.gz CHFFENCPKFHQJE-SSDOTTSWSA-N 0 3 181.201 2.423 10 0 AEAEHN FCCCCNCc1ccco1 308041313 409681581 /nfs/dbraw/zinc/68/15/81/409681581.db2.gz NMKHFNTZEMDNKX-UHFFFAOYSA-N 0 3 171.215 2.119 10 0 AEAEHN Cc1ccc(CNCCCCF)o1 308131230 409684975 /nfs/dbraw/zinc/68/49/75/409684975.db2.gz DXEPPXIUCRFZGC-UHFFFAOYSA-N 0 3 185.242 2.427 10 0 AEAEHN CCCN1CCC(c2ccon2)CC1 662046734 409685201 /nfs/dbraw/zinc/68/52/01/409685201.db2.gz MQIWYTVYTUESLN-UHFFFAOYSA-N 0 3 194.278 2.264 10 0 AEAEHN CC[C@H]1CCN1CCOCC(C)C 308171652 409692250 /nfs/dbraw/zinc/69/22/50/409692250.db2.gz BQUFBJNHBGULQU-NSHDSACASA-N 0 3 185.311 2.143 10 0 AEAEHN CC[C@@H]1CCN1CCOCC(C)C 308171650 409693480 /nfs/dbraw/zinc/69/34/80/409693480.db2.gz BQUFBJNHBGULQU-LLVKDONJSA-N 0 3 185.311 2.143 10 0 AEAEHN COC[C@@H](C)NCc1csc(C)c1 308232397 409699393 /nfs/dbraw/zinc/69/93/93/409699393.db2.gz UHRHUHOIDZPLMK-MRVPVSSYSA-N 0 3 199.319 2.181 10 0 AEAEHN CC[C@H]1CCN1CCOC1CCC1 308229208 409700807 /nfs/dbraw/zinc/70/08/07/409700807.db2.gz OAZSPLKBICQOEG-JTQLQIEISA-N 0 3 183.295 2.040 10 0 AEAEHN CC[C@@H]1CCN1CCOC1CCC1 308229209 409701188 /nfs/dbraw/zinc/70/11/88/409701188.db2.gz OAZSPLKBICQOEG-SNVBAGLBSA-N 0 3 183.295 2.040 10 0 AEAEHN CCCCOCCN1CC[C@H]1CC 308244160 409702815 /nfs/dbraw/zinc/70/28/15/409702815.db2.gz UGIUDSAHTMWOHE-LLVKDONJSA-N 0 3 185.311 2.287 10 0 AEAEHN CCCCOCCN1CC[C@@H]1CC 308244161 409703758 /nfs/dbraw/zinc/70/37/58/409703758.db2.gz UGIUDSAHTMWOHE-NSHDSACASA-N 0 3 185.311 2.287 10 0 AEAEHN CCC[C@@H](C)CN1CCO[C@H](C)C1 308391054 409714303 /nfs/dbraw/zinc/71/43/03/409714303.db2.gz ZNDZCLXHVQHBNA-GHMZBOCLSA-N 0 3 185.311 2.143 10 0 AEAEHN CCC[C@@H](C)CN1CCO[C@@H](C)C1 308391055 409714830 /nfs/dbraw/zinc/71/48/30/409714830.db2.gz ZNDZCLXHVQHBNA-MNOVXSKESA-N 0 3 185.311 2.143 10 0 AEAEHN CCC[C@H](C)CN1CCO[C@H](C)C1 308391059 409715136 /nfs/dbraw/zinc/71/51/36/409715136.db2.gz ZNDZCLXHVQHBNA-WDEREUQCSA-N 0 3 185.311 2.143 10 0 AEAEHN CCC[C@H](C)CN1CCO[C@@H](C)C1 308391057 409715670 /nfs/dbraw/zinc/71/56/70/409715670.db2.gz ZNDZCLXHVQHBNA-QWRGUYRKSA-N 0 3 185.311 2.143 10 0 AEAEHN Cc1ccoc1CN(C)CCCF 308354730 409716743 /nfs/dbraw/zinc/71/67/43/409716743.db2.gz AKBHSZUVKKPHSD-UHFFFAOYSA-N 0 3 185.242 2.379 10 0 AEAEHN CCC[C@@H](C)CN1CC(C)(OC)C1 308472763 409722969 /nfs/dbraw/zinc/72/29/69/409722969.db2.gz LALSFLQEJNSZGK-SNVBAGLBSA-N 0 3 185.311 2.143 10 0 AEAEHN CCC[C@H](C)CN1CC(C)(OC)C1 308472761 409723810 /nfs/dbraw/zinc/72/38/10/409723810.db2.gz LALSFLQEJNSZGK-JTQLQIEISA-N 0 3 185.311 2.143 10 0 AEAEHN CC12CC(CN1Cc1cncs1)C2 662386090 409726341 /nfs/dbraw/zinc/72/63/41/409726341.db2.gz SHAUHJQDCQWUPE-UHFFFAOYSA-N 0 3 194.303 2.127 10 0 AEAEHN CC12CC(CN1CCC(F)(F)F)C2 662382653 409726797 /nfs/dbraw/zinc/72/67/97/409726797.db2.gz AUTFTPJWEOYFCJ-UHFFFAOYSA-N 0 3 193.212 2.423 10 0 AEAEHN CC12CC(CN1Cc1cccnc1)C2 662381891 409727060 /nfs/dbraw/zinc/72/70/60/409727060.db2.gz JEHXMQYLRHSYDF-UHFFFAOYSA-N 0 3 188.274 2.066 10 0 AEAEHN CC12CC(CN1Cc1ccccn1)C2 662381963 409727359 /nfs/dbraw/zinc/72/73/59/409727359.db2.gz LCWPMLNUBBQPJB-UHFFFAOYSA-N 0 3 188.274 2.066 10 0 AEAEHN CC(C)(C)C(C)(C)NCc1ncc[nH]1 308587307 409737240 /nfs/dbraw/zinc/73/72/40/409737240.db2.gz SSGUIJXAAYXRAY-UHFFFAOYSA-N 0 3 195.310 2.324 10 0 AEAEHN CC(C)(C)C(C)(C)NCc1cc[nH]n1 308592684 409741222 /nfs/dbraw/zinc/74/12/22/409741222.db2.gz WKYRXDKNVZCTRG-UHFFFAOYSA-N 0 3 195.310 2.324 10 0 AEAEHN c1coc(CNC[C@@H]2C[C@H]2C2CC2)c1 308675996 409749917 /nfs/dbraw/zinc/74/99/17/409749917.db2.gz WEZYVYXEPYNCDT-JQWIXIFHSA-N 0 3 191.274 2.415 10 0 AEAEHN Cc1nocc1CNCCCC1CC1 378726031 409797178 /nfs/dbraw/zinc/79/71/78/409797178.db2.gz BCLRFYGSHUPDRS-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN CCCCCNCc1conc1C 378768134 409799437 /nfs/dbraw/zinc/79/94/37/409799437.db2.gz ZBDVQHIWCKXHOU-UHFFFAOYSA-N 0 3 182.267 2.263 10 0 AEAEHN CCC[C@@H]1C[C@H]1NCc1conc1C 378760810 409799465 /nfs/dbraw/zinc/79/94/65/409799465.db2.gz AJWVDUWEFUNIPV-MWLCHTKSSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nocc1CNC[C@H](C)C1CC1 378770998 409800114 /nfs/dbraw/zinc/80/01/14/409800114.db2.gz CBOJUSSRCAWEBZ-QMMMGPOBSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1ccc(CNCC[C@@H](C)F)nc1 378797328 409800672 /nfs/dbraw/zinc/80/06/72/409800672.db2.gz RDTKVDFIVBOPQM-SNVBAGLBSA-N 0 3 196.269 2.228 10 0 AEAEHN Cc1ccc(CNCC[C@H](C)F)nc1 378797327 409800716 /nfs/dbraw/zinc/80/07/16/409800716.db2.gz RDTKVDFIVBOPQM-JTQLQIEISA-N 0 3 196.269 2.228 10 0 AEAEHN Cc1cnccc1SCCN(C)C 378772471 409800984 /nfs/dbraw/zinc/80/09/84/409800984.db2.gz CTXQUPIXRZTVPT-UHFFFAOYSA-N 0 3 196.319 2.044 10 0 AEAEHN Cc1nocc1CNC[C@@H](C)C1CC1 378770997 409801366 /nfs/dbraw/zinc/80/13/66/409801366.db2.gz CBOJUSSRCAWEBZ-MRVPVSSYSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1nocc1CN[C@@H](C)C(C)C 378776412 409801817 /nfs/dbraw/zinc/80/18/17/409801817.db2.gz FLOHDZRCACURNG-QMMMGPOBSA-N 0 3 182.267 2.117 10 0 AEAEHN Cc1nocc1CN[C@H](C)C(C)C 378776406 409802495 /nfs/dbraw/zinc/80/24/95/409802495.db2.gz FLOHDZRCACURNG-MRVPVSSYSA-N 0 3 182.267 2.117 10 0 AEAEHN CCCNCc1cc(OC)ccc1F 378859170 409804349 /nfs/dbraw/zinc/80/43/49/409804349.db2.gz NJMOUHOTNYUWAC-UHFFFAOYSA-N 0 3 197.253 2.334 10 0 AEAEHN C[C@@H](F)CCNCc1ccco1 378852087 409804691 /nfs/dbraw/zinc/80/46/91/409804691.db2.gz GOZMLJSEVKBRAT-MRVPVSSYSA-N 0 3 171.215 2.117 10 0 AEAEHN C[C@H](F)CCNCc1ccco1 378852092 409804752 /nfs/dbraw/zinc/80/47/52/409804752.db2.gz GOZMLJSEVKBRAT-QMMMGPOBSA-N 0 3 171.215 2.117 10 0 AEAEHN Cc1nocc1CNC(C)(C)C1CC1 378855734 409804828 /nfs/dbraw/zinc/80/48/28/409804828.db2.gz KEBBWLLNYXQCHO-UHFFFAOYSA-N 0 3 194.278 2.261 10 0 AEAEHN Cc1nocc1CNC[C@H]1CC1(C)C 378855602 409805054 /nfs/dbraw/zinc/80/50/54/409805054.db2.gz JZSCTXCMNHSIFE-SNVBAGLBSA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1nocc1CNCCC1(C)CC1 378854065 409805500 /nfs/dbraw/zinc/80/55/00/409805500.db2.gz ILGGEBDUBNNWDW-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN Cc1nocc1CNC[C@@H]1CC1(C)C 378855601 409805836 /nfs/dbraw/zinc/80/58/36/409805836.db2.gz JZSCTXCMNHSIFE-JTQLQIEISA-N 0 3 194.278 2.119 10 0 AEAEHN Cc1ccoc1CNCC[C@H](C)F 378859168 409805949 /nfs/dbraw/zinc/80/59/49/409805949.db2.gz NJKVDCYQTVJUMJ-VIFPVBQESA-N 0 3 185.242 2.426 10 0 AEAEHN CC(C)=CCCNCc1conc1C 378855038 409806739 /nfs/dbraw/zinc/80/67/39/409806739.db2.gz JKTFBHWMDGHPNS-UHFFFAOYSA-N 0 3 194.278 2.429 10 0 AEAEHN Cc1ccoc1CNCC[C@@H](C)F 378859167 409806828 /nfs/dbraw/zinc/80/68/28/409806828.db2.gz NJKVDCYQTVJUMJ-SECBINFHSA-N 0 3 185.242 2.426 10 0 AEAEHN Cc1ccncc1CNCC[C@@H](C)F 378863782 409808530 /nfs/dbraw/zinc/80/85/30/409808530.db2.gz WFNAGKQKAWVCJD-SNVBAGLBSA-N 0 3 196.269 2.228 10 0 AEAEHN Cc1ccncc1CNCC[C@H](C)F 378863781 409810415 /nfs/dbraw/zinc/81/04/15/409810415.db2.gz WFNAGKQKAWVCJD-JTQLQIEISA-N 0 3 196.269 2.228 10 0 AEAEHN Cc1nocc1CNCC1CCCC1 378864712 409810560 /nfs/dbraw/zinc/81/05/60/409810560.db2.gz XZDWXKYKEDCDJV-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN CCC(C)(C)NCc1conc1C 378868366 409812138 /nfs/dbraw/zinc/81/21/38/409812138.db2.gz HKYLMFSNZNEWJE-UHFFFAOYSA-N 0 3 182.267 2.261 10 0 AEAEHN CCC1(CNCc2conc2C)CC1 378867563 409813525 /nfs/dbraw/zinc/81/35/25/409813525.db2.gz FNPZQXVNSLNGHW-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN CCC(CC)N[C@H]1CCn2ccnc21 379098576 409818312 /nfs/dbraw/zinc/81/83/12/409818312.db2.gz NVRYLZGYTPSXHM-JTQLQIEISA-N 0 3 193.294 2.106 10 0 AEAEHN CCC(CC)N[C@@H]1CCn2ccnc21 379098577 409820903 /nfs/dbraw/zinc/82/09/03/409820903.db2.gz NVRYLZGYTPSXHM-SNVBAGLBSA-N 0 3 193.294 2.106 10 0 AEAEHN CCN(CC=C(C)C)[C@H]1CCOC1 379363000 409832984 /nfs/dbraw/zinc/83/29/84/409832984.db2.gz IYGYWIQQYSDWGI-NSHDSACASA-N 0 3 183.295 2.063 10 0 AEAEHN CCCCN1CCO[C@H](C2CCC2)C1 664827811 409833398 /nfs/dbraw/zinc/83/33/98/409833398.db2.gz ONFVJUVEIAUSMS-LBPRGKRZSA-N 0 3 197.322 2.287 10 0 AEAEHN CCN(CC=C(C)C)[C@@H]1CCOC1 379362999 409833535 /nfs/dbraw/zinc/83/35/35/409833535.db2.gz IYGYWIQQYSDWGI-LLVKDONJSA-N 0 3 183.295 2.063 10 0 AEAEHN CC(C)CN1CCO[C@H](C2CCC2)C1 664827164 409834550 /nfs/dbraw/zinc/83/45/50/409834550.db2.gz XIYNWBZJVQCNLG-LBPRGKRZSA-N 0 3 197.322 2.143 10 0 AEAEHN CC(C)CN1CCO[C@@H](C2CCC2)C1 664827163 409835239 /nfs/dbraw/zinc/83/52/39/409835239.db2.gz XIYNWBZJVQCNLG-GFCCVEGCSA-N 0 3 197.322 2.143 10 0 AEAEHN CCCCN1CCO[C@@H](C2CCC2)C1 664827810 409835343 /nfs/dbraw/zinc/83/53/43/409835343.db2.gz ONFVJUVEIAUSMS-GFCCVEGCSA-N 0 3 197.322 2.287 10 0 AEAEHN Cc1ccc(CNCCCCF)nc1 379591762 409855874 /nfs/dbraw/zinc/85/58/74/409855874.db2.gz XUQBRJXIXBLBGD-UHFFFAOYSA-N 0 3 196.269 2.229 10 0 AEAEHN C[C@@H](F)CCNCc1cccc(O)c1 382208816 409896844 /nfs/dbraw/zinc/89/68/44/409896844.db2.gz GOWWQDFDQMBHBG-SECBINFHSA-N 0 3 197.253 2.230 10 0 AEAEHN CCCCOCCN1C[C@H](C)[C@@H]1C 382100262 409889818 /nfs/dbraw/zinc/88/98/18/409889818.db2.gz GJZYSZNOGOOBGL-QWRGUYRKSA-N 0 3 185.311 2.143 10 0 AEAEHN CCCCOCCN1C[C@@H](C)[C@H]1C 382100251 409890615 /nfs/dbraw/zinc/89/06/15/409890615.db2.gz GJZYSZNOGOOBGL-GHMZBOCLSA-N 0 3 185.311 2.143 10 0 AEAEHN CCCCOCCN1C[C@@H](C)[C@@H]1C 382100258 409890772 /nfs/dbraw/zinc/89/07/72/409890772.db2.gz GJZYSZNOGOOBGL-MNOVXSKESA-N 0 3 185.311 2.143 10 0 AEAEHN CCCCOCCN1C[C@H](C)[C@H]1C 382100723 409891765 /nfs/dbraw/zinc/89/17/65/409891765.db2.gz GJZYSZNOGOOBGL-WDEREUQCSA-N 0 3 185.311 2.143 10 0 AEAEHN C[C@H](F)CCNCc1cccc(O)c1 382208822 409898236 /nfs/dbraw/zinc/89/82/36/409898236.db2.gz GOWWQDFDQMBHBG-VIFPVBQESA-N 0 3 197.253 2.230 10 0 AEAEHN Cc1nocc1CN[C@@H](C)C1CCC1 382228740 409898313 /nfs/dbraw/zinc/89/83/13/409898313.db2.gz OWNFJADDOTXWOW-QMMMGPOBSA-N 0 3 194.278 2.261 10 0 AEAEHN CCC[C@@H](CNCc1ccoc1)OC 382277300 409899356 /nfs/dbraw/zinc/89/93/56/409899356.db2.gz IFWUGVZXTFUUQO-NSHDSACASA-N 0 3 197.278 2.184 10 0 AEAEHN Cc1nocc1CNCCC(C)C 382312519 409899378 /nfs/dbraw/zinc/89/93/78/409899378.db2.gz QLMZCOBHHXXPAO-UHFFFAOYSA-N 0 3 182.267 2.119 10 0 AEAEHN CCC[C@H](CNCc1ccoc1)OC 382277299 409900073 /nfs/dbraw/zinc/90/00/73/409900073.db2.gz IFWUGVZXTFUUQO-LLVKDONJSA-N 0 3 197.278 2.184 10 0 AEAEHN Cc1n[nH]cc1[C@@H](C)NCC[C@@H](C)F 382372184 409902831 /nfs/dbraw/zinc/90/28/31/409902831.db2.gz GVNDHRDHWLOSKG-HTQZYQBOSA-N 0 3 199.273 2.117 10 0 AEAEHN Cc1n[nH]cc1[C@@H](C)NCC[C@H](C)F 382372185 409902989 /nfs/dbraw/zinc/90/29/89/409902989.db2.gz GVNDHRDHWLOSKG-JGVFFNPUSA-N 0 3 199.273 2.117 10 0 AEAEHN Cc1n[nH]cc1[C@H](C)NCC[C@H](C)F 382372187 409903430 /nfs/dbraw/zinc/90/34/30/409903430.db2.gz GVNDHRDHWLOSKG-YUMQZZPRSA-N 0 3 199.273 2.117 10 0 AEAEHN Cc1n[nH]cc1[C@H](C)NCC[C@@H](C)F 382372186 409903612 /nfs/dbraw/zinc/90/36/12/409903612.db2.gz GVNDHRDHWLOSKG-SFYZADRCSA-N 0 3 199.273 2.117 10 0 AEAEHN CC[C@@H]1C[C@H]1CNCc1cc(C)no1 387727966 409947054 /nfs/dbraw/zinc/94/70/54/409947054.db2.gz RFFHBZHNVYNTBC-ZJUUUORDSA-N 0 3 194.278 2.119 10 0 AEAEHN CC[C@@H]1CCN1CCOC(C)(C)C 388235659 409948620 /nfs/dbraw/zinc/94/86/20/409948620.db2.gz OLKQFIIEHJUFQU-SNVBAGLBSA-N 0 3 185.311 2.286 10 0 AEAEHN Cc1ccoc1CNCCCCF 388208121 409949706 /nfs/dbraw/zinc/94/97/06/409949706.db2.gz KPSVTTGZNQHMDU-UHFFFAOYSA-N 0 3 185.242 2.427 10 0 AEAEHN C/C=C\CNCc1cccc(F)c1 388166589 409949959 /nfs/dbraw/zinc/94/99/59/409949959.db2.gz RMSDEXAASPQNRD-IHWYPQMZSA-N 0 3 179.238 2.491 10 0 AEAEHN CC[C@H]1CCN1CCOC(C)(C)C 388235658 409949996 /nfs/dbraw/zinc/94/99/96/409949996.db2.gz OLKQFIIEHJUFQU-JTQLQIEISA-N 0 3 185.311 2.286 10 0 AEAEHN CCC[C@@H](C)CN1CCOC[C@@H]1C 388718054 409959668 /nfs/dbraw/zinc/95/96/68/409959668.db2.gz RKEKGPXBLDWHQK-MNOVXSKESA-N 0 3 185.311 2.143 10 0 AEAEHN CCC[C@H](C)CN1CCOC[C@@H]1C 388718055 409961137 /nfs/dbraw/zinc/96/11/37/409961137.db2.gz RKEKGPXBLDWHQK-QWRGUYRKSA-N 0 3 185.311 2.143 10 0 AEAEHN CCc1nc(C)c(CN[C@H](C)CC)o1 389248770 409968508 /nfs/dbraw/zinc/96/85/08/409968508.db2.gz CQDRHZCUTDJOBN-MRVPVSSYSA-N 0 3 196.294 2.434 10 0 AEAEHN CCc1nc(C)c(CN[C@@H](C)CC)o1 389248777 409968603 /nfs/dbraw/zinc/96/86/03/409968603.db2.gz CQDRHZCUTDJOBN-QMMMGPOBSA-N 0 3 196.294 2.434 10 0 AEAEHN CC(C)=CCNCc1ccnc(C)c1 391165410 409978086 /nfs/dbraw/zinc/97/80/86/409978086.db2.gz FEMJRPHBYKYAAE-UHFFFAOYSA-N 0 3 190.290 2.446 10 0 AEAEHN Cc1ccc(CNCC[C@@H](C)F)o1 393426253 409982053 /nfs/dbraw/zinc/98/20/53/409982053.db2.gz GLMMVFWKSRLBLP-MRVPVSSYSA-N 0 3 185.242 2.426 10 0 AEAEHN CCC[C@@H](C)NCc1conc1C 393457599 409982306 /nfs/dbraw/zinc/98/23/06/409982306.db2.gz CVRUDKSDEPSGEC-MRVPVSSYSA-N 0 3 182.267 2.261 10 0 AEAEHN Cc1ccc(CNCC[C@H](C)F)o1 393426254 409982717 /nfs/dbraw/zinc/98/27/17/409982717.db2.gz GLMMVFWKSRLBLP-QMMMGPOBSA-N 0 3 185.242 2.426 10 0 AEAEHN C[C@H]1CN(CCOC(C)(C)C)[C@H]1C 393490720 409983658 /nfs/dbraw/zinc/98/36/58/409983658.db2.gz VBEFICPNCHXDRC-UWVGGRQHSA-N 0 3 185.311 2.142 10 0 AEAEHN C[C@H]1[C@H](C)CN1CCOC(C)(C)C 393490724 409984245 /nfs/dbraw/zinc/98/42/45/409984245.db2.gz VBEFICPNCHXDRC-ZJUUUORDSA-N 0 3 185.311 2.142 10 0 AEAEHN Cc1nocc1CNC[C@H](C)C(C)C 393472392 409984296 /nfs/dbraw/zinc/98/42/96/409984296.db2.gz GUVYRVHVHWUVGM-VIFPVBQESA-N 0 3 196.294 2.365 10 0 AEAEHN C[C@H]1CN(CCOC(C)(C)C)[C@@H]1C 393490721 409984419 /nfs/dbraw/zinc/98/44/19/409984419.db2.gz VBEFICPNCHXDRC-VHSXEESVSA-N 0 3 185.311 2.142 10 0 AEAEHN Cc1nocc1CNC[C@@H](C)C(C)C 393472388 409984587 /nfs/dbraw/zinc/98/45/87/409984587.db2.gz GUVYRVHVHWUVGM-SECBINFHSA-N 0 3 196.294 2.365 10 0 AEAEHN CCC[C@H](C)NCc1conc1C 393457601 409985251 /nfs/dbraw/zinc/98/52/51/409985251.db2.gz CVRUDKSDEPSGEC-QMMMGPOBSA-N 0 3 182.267 2.261 10 0 AEAEHN CCC1(NCc2conc2C)CCC1 393500851 409985390 /nfs/dbraw/zinc/98/53/90/409985390.db2.gz YMWMIGQHOGHJCE-UHFFFAOYSA-N 0 3 194.278 2.405 10 0 AEAEHN C[C@@H]1CN(CCOC(C)(C)C)[C@@H]1C 393490718 409985466 /nfs/dbraw/zinc/98/54/66/409985466.db2.gz VBEFICPNCHXDRC-NXEZZACHSA-N 0 3 185.311 2.142 10 0 AEAEHN Cc1nocc1CNCC1(C)CCC1 393571442 409988100 /nfs/dbraw/zinc/98/81/00/409988100.db2.gz SMSSXUQZCGEGLJ-UHFFFAOYSA-N 0 3 194.278 2.263 10 0 AEAEHN C[C@@H](NCc1ccno1)C(C)(C)C 393714715 409990970 /nfs/dbraw/zinc/99/09/70/409990970.db2.gz KDLDZQKZNIZCSD-MRVPVSSYSA-N 0 3 182.267 2.199 10 0 AEAEHN CCc1nocc1CN[C@H]1CC[C@@H]1C 393904686 409992287 /nfs/dbraw/zinc/99/22/87/409992287.db2.gz KVBDOMGNDNGNRT-KWQFWETISA-N 0 3 194.278 2.125 10 0 AEAEHN CCc1nocc1CN[C@H]1CC[C@H]1C 393904684 409992357 /nfs/dbraw/zinc/99/23/57/409992357.db2.gz KVBDOMGNDNGNRT-KCJUWKMLSA-N 0 3 194.278 2.125 10 0 AEAEHN CCC(CC)NCc1conc1C 393913697 409993604 /nfs/dbraw/zinc/99/36/04/409993604.db2.gz BTAACOXIUWIXGU-UHFFFAOYSA-N 0 3 182.267 2.261 10 0 AEAEHN CCc1nocc1CN[C@@H]1CC[C@@H]1C 393904682 409993812 /nfs/dbraw/zinc/99/38/12/409993812.db2.gz KVBDOMGNDNGNRT-GZMMTYOYSA-N 0 3 194.278 2.125 10 0 AEAEHN CCc1nocc1CN[C@@H]1CC[C@H]1C 393904688 409994156 /nfs/dbraw/zinc/99/41/56/409994156.db2.gz KVBDOMGNDNGNRT-LDYMZIIASA-N 0 3 194.278 2.125 10 0 AEAEHN CC/C=C\CCN1CC[C@H]1COC 393974143 409995515 /nfs/dbraw/zinc/99/55/15/409995515.db2.gz UKLJOMIOUXMTNT-WYGGZMRJSA-N 0 3 183.295 2.063 10 0 AEAEHN CC/C=C/CCN1CC[C@H]1COC 393974147 409995778 /nfs/dbraw/zinc/99/57/78/409995778.db2.gz UKLJOMIOUXMTNT-ZWNMCFTASA-N 0 3 183.295 2.063 10 0 AEAEHN CC/C=C\CCN1CC[C@@H]1COC 393974137 409995827 /nfs/dbraw/zinc/99/58/27/409995827.db2.gz UKLJOMIOUXMTNT-DOGVGXBMSA-N 0 3 183.295 2.063 10 0 AEAEHN CC/C=C/CCN1CC[C@@H]1COC 393974140 409996036 /nfs/dbraw/zinc/99/60/36/409996036.db2.gz UKLJOMIOUXMTNT-SGUJLRQBSA-N 0 3 183.295 2.063 10 0 AEAEHN Cc1ncccc1CNCC[C@@H](C)F 393950776 409997095 /nfs/dbraw/zinc/99/70/95/409997095.db2.gz WTMLVEYIEQQXGZ-SECBINFHSA-N 0 3 196.269 2.228 10 0 AEAEHN Cc1ncccc1CNCC[C@H](C)F 393950777 409997498 /nfs/dbraw/zinc/99/74/98/409997498.db2.gz WTMLVEYIEQQXGZ-VIFPVBQESA-N 0 3 196.269 2.228 10 0 AEAEHN CCC1(NCc2cocn2)CCCC1 395169949 410002564 /nfs/dbraw/zinc/00/25/64/410002564.db2.gz HIQLEDWWQJYYSN-UHFFFAOYSA-N 0 3 194.278 2.487 10 0 AEAEHN CC(C)(NCc1cocn1)C1CCC1 398047472 410021120 /nfs/dbraw/zinc/02/11/20/410021120.db2.gz UOKPWLGZTZGMRZ-UHFFFAOYSA-N 0 3 194.278 2.343 10 0 AEAEHN CC(C)(NCc1cc[nH]n1)C1CCC1 398238861 410021392 /nfs/dbraw/zinc/02/13/92/410021392.db2.gz XTKHHOWNOIGYSS-UHFFFAOYSA-N 0 3 193.294 2.078 10 0 AEAEHN CC(C)(NCc1ncc[nH]1)C1CCC1 398190480 410021914 /nfs/dbraw/zinc/02/19/14/410021914.db2.gz AKPDZZNADXLXCY-UHFFFAOYSA-N 0 3 193.294 2.078 10 0 AEAEHN CC(C)(CCN1CCOCC1)C1CC1 406041796 410044172 /nfs/dbraw/zinc/04/41/72/410044172.db2.gz QWNNIPZXDKQMPR-UHFFFAOYSA-N 0 3 197.322 2.145 10 0 AEAEHN CC(C)n1c(C2(Cl)CC2)cnc1N 575500688 410074463 /nfs/dbraw/zinc/07/44/63/410074463.db2.gz MVJBIACELQEBHH-UHFFFAOYSA-N 0 3 199.685 2.274 10 0 AEAEHN c1cc(CN2CCC23CCCC3)on1 649655574 410223321 /nfs/dbraw/zinc/22/33/21/410223321.db2.gz HBCVTSRPSWATBV-UHFFFAOYSA-N 0 3 192.262 2.193 10 0 AEAEHN CC/C=C/CCN(C(C)C)C1COC1 649694112 410224520 /nfs/dbraw/zinc/22/45/20/410224520.db2.gz BYVWRUGARPUOHW-AATRIKPKSA-N 0 3 197.322 2.452 10 0 AEAEHN CC/C=C/CCN(C1CC1)C1COC1 649697950 410224863 /nfs/dbraw/zinc/22/48/63/410224863.db2.gz DMSVSRQWNXHBBT-ONEGZZNKSA-N 0 3 195.306 2.206 10 0 AEAEHN CC/C=C\CCN(C(C)C)C1COC1 649694113 410225106 /nfs/dbraw/zinc/22/51/06/410225106.db2.gz BYVWRUGARPUOHW-WAYWQWQTSA-N 0 3 197.322 2.452 10 0 AEAEHN CC/C=C\CCN(C1CC1)C1COC1 649697949 410226483 /nfs/dbraw/zinc/22/64/83/410226483.db2.gz DMSVSRQWNXHBBT-ARJAWSKDSA-N 0 3 195.306 2.206 10 0 AEAEHN CCN(CC=C(C)C)[C@@H]1CCCOC1 649754947 410231716 /nfs/dbraw/zinc/23/17/16/410231716.db2.gz AUPFLBWZILNXCM-GFCCVEGCSA-N 0 3 197.322 2.454 10 0 AEAEHN CCCCN1C[C@@H](C)OCC12CCC2 649824969 410239577 /nfs/dbraw/zinc/23/95/77/410239577.db2.gz QBJOJPUDITZVJM-LLVKDONJSA-N 0 3 197.322 2.430 10 0 AEAEHN CCN(CC=C(C)C)[C@H]1CCCOC1 649754948 410234134 /nfs/dbraw/zinc/23/41/34/410234134.db2.gz AUPFLBWZILNXCM-LBPRGKRZSA-N 0 3 197.322 2.454 10 0 AEAEHN CCCN1C[C@@H](C)OCC12CCC2 649825323 410240756 /nfs/dbraw/zinc/24/07/56/410240756.db2.gz YYTHKZDCXFJKCN-SNVBAGLBSA-N 0 3 183.295 2.040 10 0 AEAEHN C[C@@H]1CN(CC2CC2)C2(CCC2)CO1 649823346 410239659 /nfs/dbraw/zinc/23/96/59/410239659.db2.gz CDHBISYEEVDYDM-SNVBAGLBSA-N 0 3 195.306 2.040 10 0 AEAEHN C[C@H]1CN(CC2CC2)C2(CCC2)CO1 649823345 410239743 /nfs/dbraw/zinc/23/97/43/410239743.db2.gz CDHBISYEEVDYDM-JTQLQIEISA-N 0 3 195.306 2.040 10 0 AEAEHN CCCN1C[C@H](C)OCC12CCC2 649825322 410240038 /nfs/dbraw/zinc/24/00/38/410240038.db2.gz YYTHKZDCXFJKCN-JTQLQIEISA-N 0 3 183.295 2.040 10 0 AEAEHN CCCCN1C[C@H](C)OCC12CCC2 649824970 410240528 /nfs/dbraw/zinc/24/05/28/410240528.db2.gz QBJOJPUDITZVJM-NSHDSACASA-N 0 3 197.322 2.430 10 0 AEAEHN C[Si](C)(C)CN1CCC=C(F)C1 307592387 629785927 /nfs/dbraw/zinc/78/59/27/629785927.db2.gz DHHMRHPPAZVGLX-UHFFFAOYSA-N 0 3 187.334 2.423 10 0 AEAEHN CC(C)(C)CCCOC1(C)CNC1 300886137 572016683 /nfs/dbraw/zinc/01/66/83/572016683.db2.gz PDNKNWMTPIPCMO-UHFFFAOYSA-N 0 3 185.311 2.191 10 0 AEAEHN CCCC(=O)CN1CC[C@@H]2CCC[C@H]21 393454737 572012239 /nfs/dbraw/zinc/01/22/39/572012239.db2.gz BEYHVDHBXUDZIF-CMPLNLGQSA-N 0 3 195.306 2.230 10 0 AEAEHN CCC[C@@H](NC)c1cc(C)cnc1N 69943030 572162947 /nfs/dbraw/zinc/16/29/47/572162947.db2.gz REOLMESVXHWPQV-SNVBAGLBSA-N 0 3 193.294 2.033 10 0 AEAEHN Cc1cccc2c1OCC1(CC1)[C@@H]2N 71489440 572830451 /nfs/dbraw/zinc/83/04/51/572830451.db2.gz OHHZDAPFJFVDTF-LLVKDONJSA-N 0 3 189.258 2.167 10 0 AEAEHN CC[C@@H](C)NCc1ncsc1C 307971189 572878972 /nfs/dbraw/zinc/87/89/72/572878972.db2.gz HFEKDSDGHREUHP-SSDOTTSWSA-N 0 3 184.308 2.340 10 0 AEAEHN Cc1n[nH]c(C)c1[C@H]1CCCCN1C 75906697 572916014 /nfs/dbraw/zinc/91/60/14/572916014.db2.gz GOUSMDFSLUWKML-SNVBAGLBSA-N 0 3 193.294 2.183 10 0 AEAEHN CSc1cc(CN)c(F)cc1C 258207408 572996231 /nfs/dbraw/zinc/99/62/31/572996231.db2.gz YYQUNOCXSHFXKB-UHFFFAOYSA-N 0 3 185.267 2.315 10 0 AEAEHN CC[C@@H](N)c1ccc(N2CCCC2)o1 104525360 572996338 /nfs/dbraw/zinc/99/63/38/572996338.db2.gz NVKWRQGNDJYCTF-SECBINFHSA-N 0 3 194.278 2.290 10 0 AEAEHN CC[C@H](C)C[C@H](N)c1cnc(C)n1C 308497666 573085564 /nfs/dbraw/zinc/08/55/64/573085564.db2.gz UKZZBNRJLNZHFC-WPRPVWTQSA-N 0 3 195.310 2.165 10 0 AEAEHN CC[C@H]1SCCS[C@]1(N)CC 238279279 573100607 /nfs/dbraw/zinc/10/06/07/573100607.db2.gz IRGFBHBHRHGBCS-HTQZYQBOSA-N 0 3 191.365 2.310 10 0 AEAEHN C=C/C=C/NCc1ccc(OC)cc1 308262727 573111063 /nfs/dbraw/zinc/11/10/63/573111063.db2.gz NWYCEGQDMDTHES-RUDMXATFSA-N 0 3 189.258 2.485 10 0 AEAEHN Cc1ccc2c(c1Cl)OC[C@H]2N 104672885 573166841 /nfs/dbraw/zinc/16/68/41/573166841.db2.gz FJZNSZJWLLLCMB-SSDOTTSWSA-N 0 3 183.638 2.041 10 0 AEAEHN CN[C@@H](COC)c1ccc(C)cc1F 132018313 573183683 /nfs/dbraw/zinc/18/36/83/573183683.db2.gz XICZNSLICZUNJA-NSHDSACASA-N 0 3 197.253 2.041 10 0 AEAEHN CC[C@@H](C)CN[C@H](C)c1ccon1 308304682 573199566 /nfs/dbraw/zinc/19/95/66/573199566.db2.gz NTXGTDXXNLMGIO-RKDXNWHRSA-N 0 3 182.267 2.371 10 0 AEAEHN CCn1nc([C@H](C)N)cc1C(C)C 257959406 573199707 /nfs/dbraw/zinc/19/97/07/573199707.db2.gz XHESRVPSRVJIMX-QMMMGPOBSA-N 0 3 181.283 2.046 10 0 AEAEHN CN[C@H](COC)c1cc(C)c(C)s1 132071763 573199745 /nfs/dbraw/zinc/19/97/45/573199745.db2.gz UOCZRMQKSGVYOV-SECBINFHSA-N 0 3 199.319 2.272 10 0 AEAEHN CC[C@H](C)CN[C@@H](C)c1ccon1 308304681 573199867 /nfs/dbraw/zinc/19/98/67/573199867.db2.gz NTXGTDXXNLMGIO-IUCAKERBSA-N 0 3 182.267 2.371 10 0 AEAEHN CCCN[C@@H](COC)c1coc(C)c1 132068806 573199977 /nfs/dbraw/zinc/19/99/77/573199977.db2.gz LAWZKCAKRWOHIN-NSHDSACASA-N 0 3 197.278 2.275 10 0 AEAEHN CNCc1coc2cccc(F)c12 258584932 573199999 /nfs/dbraw/zinc/19/99/99/573199999.db2.gz JICUTFRCJQLHFM-UHFFFAOYSA-N 0 3 179.194 2.291 10 0 AEAEHN CC[C@H](C)CN[C@H](C)c1ccon1 308304680 573200529 /nfs/dbraw/zinc/20/05/29/573200529.db2.gz NTXGTDXXNLMGIO-DTWKUNHWSA-N 0 3 182.267 2.371 10 0 AEAEHN Cc1cccc([C@@H](F)[C@H]2CCN2)c1 257967944 573200630 /nfs/dbraw/zinc/20/06/30/573200630.db2.gz YHSOOOIAWZVUOJ-GHMZBOCLSA-N 0 3 179.238 2.368 10 0 AEAEHN CCCC(=O)CN1CC[C@@H](C)[C@H](C)C1 132062749 573200643 /nfs/dbraw/zinc/20/06/43/573200643.db2.gz ANIGJWOWFGEGDY-GHMZBOCLSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1cccc([C@@H](F)[C@@H]2CCN2)c1 257967948 573200884 /nfs/dbraw/zinc/20/08/84/573200884.db2.gz YHSOOOIAWZVUOJ-WDEREUQCSA-N 0 3 179.238 2.368 10 0 AEAEHN CCCC(=O)CN1CC[C@H](C)[C@H](C)C1 132062503 573203460 /nfs/dbraw/zinc/20/34/60/573203460.db2.gz ANIGJWOWFGEGDY-WDEREUQCSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1ccc([C@@H]2C[C@@H](C)N2)o1 259036193 573203588 /nfs/dbraw/zinc/20/35/88/573203588.db2.gz BYTYWILDGJYIRV-SVRRBLITSA-N 0 3 151.209 2.011 10 0 AEAEHN Cc1nc2cc3c(cc2[nH]1)NCCC3 258484733 573205330 /nfs/dbraw/zinc/20/53/30/573205330.db2.gz AKIGBLIVCIWBSP-UHFFFAOYSA-N 0 3 187.246 2.229 10 0 AEAEHN C[C@H](F)Oc1cccc2c1CNCC2 257964959 573205472 /nfs/dbraw/zinc/20/54/72/573205472.db2.gz JQBIYXMPXWILPG-MRVPVSSYSA-N 0 3 195.237 2.027 10 0 AEAEHN CC(=O)C[C@@H](N)c1ccc(F)c(C)c1 259367721 573205547 /nfs/dbraw/zinc/20/55/47/573205547.db2.gz KMKXSGXVGPSDBY-LLVKDONJSA-N 0 3 195.237 2.113 10 0 AEAEHN CCO[P@](C)(=O)[C@@H]1CCCCN1 238312362 573206020 /nfs/dbraw/zinc/20/60/20/573206020.db2.gz OWRAUALVMLGPDO-PELKAZGASA-N 0 3 191.211 2.030 10 0 AEAEHN CCc1cc2c(cc1CC)CNC2 238312950 573205644 /nfs/dbraw/zinc/20/56/44/573205644.db2.gz JGTLWFWCDPIREN-UHFFFAOYSA-N 0 3 175.275 2.415 10 0 AEAEHN CCc1ccc([C@H](COC)NC)s1 132077045 573205705 /nfs/dbraw/zinc/20/57/05/573205705.db2.gz AUJSCOZQRVENBR-VIFPVBQESA-N 0 3 199.319 2.217 10 0 AEAEHN CCC[C@H](C)n1cc(CNCC)cn1 233343351 573208913 /nfs/dbraw/zinc/20/89/13/573208913.db2.gz TWXFDIJCQNCQQE-JTQLQIEISA-N 0 3 195.310 2.354 10 0 AEAEHN CNCc1ncoc1-c1ccsc1 85940127 573208982 /nfs/dbraw/zinc/20/89/82/573208982.db2.gz PLFIZCRRNQGUPP-UHFFFAOYSA-N 0 3 194.259 2.123 10 0 AEAEHN CCN[C@@H](COC)c1cc(C)oc1C 132093531 573209017 /nfs/dbraw/zinc/20/90/17/573209017.db2.gz UMJNWIGITFULMC-NSHDSACASA-N 0 3 197.278 2.193 10 0 AEAEHN CC[C@H]1CO[C@H](c2ccccc2C)N1 238313872 573212611 /nfs/dbraw/zinc/21/26/11/573212611.db2.gz PMMIUTKDBXPAGW-CMPLNLGQSA-N 0 3 191.274 2.392 10 0 AEAEHN C[C@H](N)c1cccnc1OC(C)(C)C 235535916 573212841 /nfs/dbraw/zinc/21/28/41/573212841.db2.gz YUYPZTPGHMNIBK-QMMMGPOBSA-N 0 3 194.278 2.279 10 0 AEAEHN COc1c([C@H](C)N)ccc(C)c1F 257970963 573212869 /nfs/dbraw/zinc/21/28/69/573212869.db2.gz CTBYKPDSTSNIHS-ZETCQYMHSA-N 0 3 183.226 2.162 10 0 AEAEHN Cn1c2ccncc2c2ccc(O)cc21 259380827 573224738 /nfs/dbraw/zinc/22/47/38/573224738.db2.gz JJMKEQPIODGZLR-UHFFFAOYSA-N 0 3 198.225 2.432 10 0 AEAEHN CCO[P@@](C)(=O)[C@@H]1CCCCN1 238309289 573224774 /nfs/dbraw/zinc/22/47/74/573224774.db2.gz OWRAUALVMLGPDO-PRHODGIISA-N 0 3 191.211 2.030 10 0 AEAEHN CC[C@H](N)c1c(N)cccc1Cl 238309164 573224824 /nfs/dbraw/zinc/22/48/24/573224824.db2.gz VTRJIMWTFVLVJP-ZETCQYMHSA-N 0 3 184.670 2.332 10 0 AEAEHN COc1ccncc1[C@@H](N)CC(C)C 308519860 573226006 /nfs/dbraw/zinc/22/60/06/573226006.db2.gz XFMPBZRHRLZJJH-JTQLQIEISA-N 0 3 194.278 2.136 10 0 AEAEHN C[C@@H]1CN(CC(=O)C(C)(C)C)C[C@@H]1C 86010881 573226082 /nfs/dbraw/zinc/22/60/82/573226082.db2.gz ZZMKBYXJIAWDCD-AOOOYVTPSA-N 0 3 197.322 2.189 10 0 AEAEHN C[C@H]1CN(CC(=O)C(C)(C)C)C[C@@H]1C 86010882 573226184 /nfs/dbraw/zinc/22/61/84/573226184.db2.gz ZZMKBYXJIAWDCD-UWVGGRQHSA-N 0 3 197.322 2.189 10 0 AEAEHN NCc1ccsc1CC(F)(F)F 642880194 573230317 /nfs/dbraw/zinc/23/03/17/573230317.db2.gz SBAFOVQOCQWDDI-UHFFFAOYSA-N 0 3 195.209 2.312 10 0 AEAEHN Cc1nc(C(C)(C)C)c(N)n1C1CC1 104907596 573230451 /nfs/dbraw/zinc/23/04/51/573230451.db2.gz QMUGGSKBFWAAIC-UHFFFAOYSA-N 0 3 193.294 2.406 10 0 AEAEHN Cc1nc(C2CC2)c(N)n1C(C)C 104907582 573230461 /nfs/dbraw/zinc/23/04/61/573230461.db2.gz WLEDRRBPHDQROG-UHFFFAOYSA-N 0 3 179.267 2.232 10 0 AEAEHN CCc1nc(CC)n(C(C)(C)C)c1N 105025284 573237027 /nfs/dbraw/zinc/23/70/27/573237027.db2.gz KPBDMGDGMOTZHP-UHFFFAOYSA-N 0 3 195.310 2.345 10 0 AEAEHN Cc1nc(C2CC2)c(N)n1CC(C)C 105025133 573237039 /nfs/dbraw/zinc/23/70/39/573237039.db2.gz UPKIJXVOINRQQK-UHFFFAOYSA-N 0 3 193.294 2.307 10 0 AEAEHN CCC(C)(C)NCc1ncoc1C 308315880 573237102 /nfs/dbraw/zinc/23/71/02/573237102.db2.gz VJERZPJZJBHMFD-UHFFFAOYSA-N 0 3 182.267 2.261 10 0 AEAEHN CCC[C@H](C)[C@@H](C)C[C@H]1COCCN1 308526702 573237269 /nfs/dbraw/zinc/23/72/69/573237269.db2.gz BFWIUMBLRAWBHL-SRVKXCTJSA-N 0 3 199.338 2.437 10 0 AEAEHN Cc1nc(C2CC2)n(CC(C)C)c1N 105025438 573237292 /nfs/dbraw/zinc/23/72/92/573237292.db2.gz MVBHRHOUURJLAC-UHFFFAOYSA-N 0 3 193.294 2.307 10 0 AEAEHN CN/C=C(/C)c1ccc(OC)cc1 238314780 573237370 /nfs/dbraw/zinc/23/73/70/573237370.db2.gz ZGYMCPQSMWERPU-HJWRWDBZSA-N 0 3 177.247 2.275 10 0 AEAEHN CC(C)=C[C@H](N)COc1ccccc1 86029717 573237398 /nfs/dbraw/zinc/23/73/98/573237398.db2.gz GURDYJSYLSDDGL-NSHDSACASA-N 0 3 191.274 2.359 10 0 AEAEHN Cc1ccc(C)c(CCN(C)C)c1O 238314785 573237416 /nfs/dbraw/zinc/23/74/16/573237416.db2.gz WIHRPBSSEFYHIU-UHFFFAOYSA-N 0 3 193.290 2.113 10 0 AEAEHN CC(C)=C[C@@H](N)c1cccnc1 86025111 573237423 /nfs/dbraw/zinc/23/74/23/573237423.db2.gz YAJVRZDGUBVEER-SNVBAGLBSA-N 0 3 162.236 2.048 10 0 AEAEHN CCn1cnc([C@H](NC)C(C)(C)C)c1 308527999 573237424 /nfs/dbraw/zinc/23/74/24/573237424.db2.gz JKRYRBAEQCQGRV-JTQLQIEISA-N 0 3 195.310 2.210 10 0 AEAEHN CCc1ccccc1[C@@H](COC)NC 132161999 573237470 /nfs/dbraw/zinc/23/74/70/573237470.db2.gz QKPXGDXAMBYALY-GFCCVEGCSA-N 0 3 193.290 2.156 10 0 AEAEHN CC[C@H](C)c1nc(C)n(CC)c1N 105025039 573237587 /nfs/dbraw/zinc/23/75/87/573237587.db2.gz OWMUOVQYAYKROW-ZETCQYMHSA-N 0 3 181.283 2.307 10 0 AEAEHN CCc1nc(CC(C)(C)C)c(N)n1C 105064873 573237633 /nfs/dbraw/zinc/23/76/33/573237633.db2.gz MAUUIDRVNBFKKE-UHFFFAOYSA-N 0 3 195.310 2.153 10 0 AEAEHN CC(C)=C[C@@H](N)c1ccccn1 86025093 573237693 /nfs/dbraw/zinc/23/76/93/573237693.db2.gz JRIBRMCONGQHPT-SECBINFHSA-N 0 3 162.236 2.048 10 0 AEAEHN CC[C@@H](C)c1nc(C)n(CC)c1N 105025036 573239291 /nfs/dbraw/zinc/23/92/91/573239291.db2.gz OWMUOVQYAYKROW-SSDOTTSWSA-N 0 3 181.283 2.307 10 0 AEAEHN CCc1nc(C(C)(C)C)c(N)n1CC 105025240 573239304 /nfs/dbraw/zinc/23/93/04/573239304.db2.gz XURPPRWQYOOITG-UHFFFAOYSA-N 0 3 195.310 2.345 10 0 AEAEHN CC(C)=C[C@H](N)c1cccnc1 86025106 573239369 /nfs/dbraw/zinc/23/93/69/573239369.db2.gz YAJVRZDGUBVEER-JTQLQIEISA-N 0 3 162.236 2.048 10 0 AEAEHN CCc1ccccc1[C@H](COC)NC 132162226 573239432 /nfs/dbraw/zinc/23/94/32/573239432.db2.gz QKPXGDXAMBYALY-LBPRGKRZSA-N 0 3 193.290 2.156 10 0 AEAEHN CN(C)CCc1c(F)cccc1F 238314843 573239565 /nfs/dbraw/zinc/23/95/65/573239565.db2.gz NYRHGQGBZZJSRD-UHFFFAOYSA-N 0 3 185.217 2.069 10 0 AEAEHN CC(C)=C[C@H](N)c1ccccn1 86025086 573239692 /nfs/dbraw/zinc/23/96/92/573239692.db2.gz JRIBRMCONGQHPT-VIFPVBQESA-N 0 3 162.236 2.048 10 0 AEAEHN COC(C)(C)[C@@H](N)c1ccc(C)s1 86073426 573247198 /nfs/dbraw/zinc/24/71/98/573247198.db2.gz SJBVLLLJFUWXBF-VIFPVBQESA-N 0 3 199.319 2.481 10 0 AEAEHN Cc1ccccc1[C@]1(C)NC[C@@H](C)O1 258609346 573247239 /nfs/dbraw/zinc/24/72/39/573247239.db2.gz QWSIGPLDLHJEMU-ZYHUDNBSSA-N 0 3 191.274 2.176 10 0 AEAEHN CCC(F)(F)C1CCN(C)CC1 259049384 573247272 /nfs/dbraw/zinc/24/72/72/573247272.db2.gz VAVVLNWCBGSEOT-UHFFFAOYSA-N 0 3 177.238 2.374 10 0 AEAEHN COC(C)(C)[C@H](N)c1cccs1 86073422 573247519 /nfs/dbraw/zinc/24/75/19/573247519.db2.gz WUEHGGNHMSHZHU-MRVPVSSYSA-N 0 3 185.292 2.173 10 0 AEAEHN COC(C)(C)[C@H](N)c1csc(C)c1 86073363 573247527 /nfs/dbraw/zinc/24/75/27/573247527.db2.gz WMMSBDJXGCVCPF-SECBINFHSA-N 0 3 199.319 2.481 10 0 AEAEHN COC(C)(C)[C@@H](N)c1ccc(C)cc1 86072864 573247556 /nfs/dbraw/zinc/24/75/56/573247556.db2.gz AAONYMJIMRSXLB-NSHDSACASA-N 0 3 193.290 2.420 10 0 AEAEHN CCCN(CC(=O)CC)CC(C)C 393578481 573247568 /nfs/dbraw/zinc/24/75/68/573247568.db2.gz CCFXMTAOENUCAU-UHFFFAOYSA-N 0 3 185.311 2.334 10 0 AEAEHN COC(C)(C)[C@H](N)c1ccccc1F 86073066 573247746 /nfs/dbraw/zinc/24/77/46/573247746.db2.gz DAUZMASJDMTPGF-SNVBAGLBSA-N 0 3 197.253 2.251 10 0 AEAEHN CCSCc1cnc(N)n1C(C)C 258259577 573252054 /nfs/dbraw/zinc/25/20/54/573252054.db2.gz RWUKGFBATPFDOQ-UHFFFAOYSA-N 0 3 199.323 2.299 10 0 AEAEHN Cc1ccc(Cl)c([O-])c1C[C@H](C)[NH3+] 258275222 573271113 /nfs/dbraw/zinc/27/11/13/573271113.db2.gz ZLXJTTWZGYWBEB-ZETCQYMHSA-N 0 3 199.681 2.244 10 0 AEAEHN CSC[C@H]1NCCc2ccccc21 258274077 573271146 /nfs/dbraw/zinc/27/11/46/573271146.db2.gz UUENNVLIIPISJN-LLVKDONJSA-N 0 3 193.315 2.236 10 0 AEAEHN CC[C@H]1CNCc2c(OC)cccc21 257988623 573271572 /nfs/dbraw/zinc/27/15/72/573271572.db2.gz DJEDBKJCTRXUKX-VIFPVBQESA-N 0 3 191.274 2.292 10 0 AEAEHN CCCCN(CC(=O)CC)C1CC1 50179972 573271896 /nfs/dbraw/zinc/27/18/96/573271896.db2.gz OXPTYKZPBXAVLM-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CCC(=O)CN1CCCC[C@H]1CC 50179735 573274070 /nfs/dbraw/zinc/27/40/70/573274070.db2.gz FXONXHAYRKQTCD-SNVBAGLBSA-N 0 3 183.295 2.230 10 0 AEAEHN CCC(=O)CN(C)[C@H]1CCCC[C@@H]1C 50180068 573273387 /nfs/dbraw/zinc/27/33/87/573273387.db2.gz QHQJNUSTNVQLDC-JQWIXIFHSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)CN1CCC[C@@H](CC)C1 50179829 573273476 /nfs/dbraw/zinc/27/34/76/573273476.db2.gz KWQDMPAZVDCNIH-SNVBAGLBSA-N 0 3 183.295 2.088 10 0 AEAEHN CCC(=O)CN(C)[C@@H](C)C(C)(C)C 50180090 573273510 /nfs/dbraw/zinc/27/35/10/573273510.db2.gz FGZKBJGVYKWCPB-VIFPVBQESA-N 0 3 185.311 2.332 10 0 AEAEHN Cc1cccc(CN[C@H]2CC2(C)C)n1 86136253 573273579 /nfs/dbraw/zinc/27/35/79/573273579.db2.gz QFQXIJUDAIDQKO-NSHDSACASA-N 0 3 190.290 2.278 10 0 AEAEHN CC(C)SCc1cc(N)ccn1 86135080 573273626 /nfs/dbraw/zinc/27/36/26/573273626.db2.gz KCWUZSIBXOYIQW-UHFFFAOYSA-N 0 3 182.292 2.305 10 0 AEAEHN CCC(=O)CN1CCC(CC)CC1 50179916 573273748 /nfs/dbraw/zinc/27/37/48/573273748.db2.gz ODGTXMZSJQREOL-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CCC(=O)CN(CC)[C@H](C)CC 50179774 573273785 /nfs/dbraw/zinc/27/37/85/573273785.db2.gz RTUIYACFEMVDPW-SECBINFHSA-N 0 3 171.284 2.086 10 0 AEAEHN CC(C)NC1=N[C@@H](C(C)C)CS1 86126717 573273931 /nfs/dbraw/zinc/27/39/31/573273931.db2.gz QWFWKTBACCLAPR-MRVPVSSYSA-N 0 3 186.324 2.112 10 0 AEAEHN Cc1cc(F)ccc1OCCN(C)C 129323387 573273993 /nfs/dbraw/zinc/27/39/93/573273993.db2.gz PHIDRMMRFQMVFG-UHFFFAOYSA-N 0 3 197.253 2.075 10 0 AEAEHN CCCN(CCC)CC(=O)CC 50179692 573274180 /nfs/dbraw/zinc/27/41/80/573274180.db2.gz RUMKKGBNKWZPAR-UHFFFAOYSA-N 0 3 171.284 2.088 10 0 AEAEHN CC(C)[C@H]1CSC(NC2CCC2)=N1 86127218 573274197 /nfs/dbraw/zinc/27/41/97/573274197.db2.gz HFHQVIGFPFJDHR-SECBINFHSA-N 0 3 198.335 2.256 10 0 AEAEHN CCCN(CC(=O)CC)C(C)C 50179749 573274263 /nfs/dbraw/zinc/27/42/63/573274263.db2.gz TWAQHDJCIYZHIX-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(=O)CN(C)C1CCC(C)CC1 50179955 573274287 /nfs/dbraw/zinc/27/42/87/573274287.db2.gz LAHZYOVUZMSNDM-UHFFFAOYSA-N 0 3 197.322 2.476 10 0 AEAEHN FC1(F)CCNC12CCCCC2 259605554 573274338 /nfs/dbraw/zinc/27/43/38/573274338.db2.gz YXYGBLUDBHRWAL-UHFFFAOYSA-N 0 3 175.222 2.318 10 0 AEAEHN CCC(=O)CN(C)[C@H](C)C(C)(C)C 50180091 573274372 /nfs/dbraw/zinc/27/43/72/573274372.db2.gz FGZKBJGVYKWCPB-SECBINFHSA-N 0 3 185.311 2.332 10 0 AEAEHN Cc1cc([C@H](C)N)c2c(c1C)OCO2 257989300 573274504 /nfs/dbraw/zinc/27/45/04/573274504.db2.gz FIZLZHPPSVTLGY-QMMMGPOBSA-N 0 3 193.246 2.052 10 0 AEAEHN CCSCc1cc(NC)ccn1 86135006 573274528 /nfs/dbraw/zinc/27/45/28/573274528.db2.gz TXUMFEDBUOOAEB-UHFFFAOYSA-N 0 3 182.292 2.376 10 0 AEAEHN CCC(=O)CN(C)C(CC)CC 50179815 573274600 /nfs/dbraw/zinc/27/46/00/573274600.db2.gz FFWXMDUUXJZKFH-UHFFFAOYSA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(=O)CN(C)[C@@H]1CCCC[C@@H]1C 50180067 573274657 /nfs/dbraw/zinc/27/46/57/573274657.db2.gz QHQJNUSTNVQLDC-CMPLNLGQSA-N 0 3 197.322 2.476 10 0 AEAEHN CCC(=O)CN(CC)[C@@H](C)CC 50179775 573274754 /nfs/dbraw/zinc/27/47/54/573274754.db2.gz RTUIYACFEMVDPW-VIFPVBQESA-N 0 3 171.284 2.086 10 0 AEAEHN CCC(=O)CN(CC(C)C)C(C)C 50180053 573274827 /nfs/dbraw/zinc/27/48/27/573274827.db2.gz JADMHWDPMKAEBD-UHFFFAOYSA-N 0 3 185.311 2.332 10 0 AEAEHN CCc1cc(F)cc2c1OCC[C@@H]2N 238330411 573276264 /nfs/dbraw/zinc/27/62/64/573276264.db2.gz LIVALRXQYYLNPN-JTQLQIEISA-N 0 3 195.237 2.170 10 0 AEAEHN CCCCN1CCC(=O)CC1(C)C 258618422 573276546 /nfs/dbraw/zinc/27/65/46/573276546.db2.gz BITXXDGETLQHPX-UHFFFAOYSA-N 0 3 183.295 2.230 10 0 AEAEHN CNCc1cnc(Cl)cc1Cl 238331226 573276610 /nfs/dbraw/zinc/27/66/10/573276610.db2.gz YSVCPEXNPSHIMW-UHFFFAOYSA-N 0 3 191.061 2.108 10 0 AEAEHN CCc1cc(F)cc2c1OCC[C@H]2N 238330471 573276661 /nfs/dbraw/zinc/27/66/61/573276661.db2.gz LIVALRXQYYLNPN-SNVBAGLBSA-N 0 3 195.237 2.170 10 0 AEAEHN CCc1cc(F)cc2c1[C@@H](N)CCO2 238330324 573276939 /nfs/dbraw/zinc/27/69/39/573276939.db2.gz NTUZJDFCOPGZFS-VIFPVBQESA-N 0 3 195.237 2.170 10 0 AEAEHN CNCc1cc(C2CC2)cnc1Cl 238335104 573291473 /nfs/dbraw/zinc/29/14/73/573291473.db2.gz OLQUDKLHWKWWPE-UHFFFAOYSA-N 0 3 196.681 2.332 10 0 AEAEHN CN[C@@H](C)c1cc(Cl)ncc1F 238325454 573291819 /nfs/dbraw/zinc/29/18/19/573291819.db2.gz JZAJFGPLWHSBIJ-YFKPBYRVSA-N 0 3 188.633 2.155 10 0 AEAEHN CNC(C)(C)c1nc(C2CCC2)c[nH]1 259070343 573294655 /nfs/dbraw/zinc/29/46/55/573294655.db2.gz KTVBESQVVKKVAI-UHFFFAOYSA-N 0 3 193.294 2.132 10 0 AEAEHN CCN1C[C@H](C)c2cccc(CN)c21 257997166 573296008 /nfs/dbraw/zinc/29/60/08/573296008.db2.gz IFEFSEXETHQKCA-VIFPVBQESA-N 0 3 190.290 2.089 10 0 AEAEHN N[C@@H]1CCOc2cccc(Cl)c21 74284280 573298194 /nfs/dbraw/zinc/29/81/94/573298194.db2.gz VGEKVJWYOWETRF-SSDOTTSWSA-N 0 3 183.638 2.122 10 0 AEAEHN CCc1nc([C@@H](N)C(C)C)cs1 74282662 573298296 /nfs/dbraw/zinc/29/82/96/573298296.db2.gz SSVPXOONPJZULL-VIFPVBQESA-N 0 3 184.308 2.361 10 0 AEAEHN CC(C)CC(=O)C1(N)CCCCC1 74284456 573298381 /nfs/dbraw/zinc/29/83/81/573298381.db2.gz WRQGUUOOUIQAIJ-UHFFFAOYSA-N 0 3 183.295 2.263 10 0 AEAEHN C[C@H](N)c1cc(-c2ccccc2)n[nH]1 74278995 573298524 /nfs/dbraw/zinc/29/85/24/573298524.db2.gz XAKVFWQYVKIXIN-QMMMGPOBSA-N 0 3 187.246 2.096 10 0 AEAEHN Cc1cc([C@@H](N)COC(C)C)c(C)o1 132478718 573298546 /nfs/dbraw/zinc/29/85/46/573298546.db2.gz BORPEBDDKSPLJQ-NSHDSACASA-N 0 3 197.278 2.321 10 0 AEAEHN CN[C@@H](COC(C)C)c1coc(C)c1 132413981 573298778 /nfs/dbraw/zinc/29/87/78/573298778.db2.gz MRGVUSJARBZPCT-NSHDSACASA-N 0 3 197.278 2.274 10 0 AEAEHN CN[C@@H](C)c1cnc(Cl)c(C)c1 238335478 573298946 /nfs/dbraw/zinc/29/89/46/573298946.db2.gz NPHXCJVFLAJLIQ-ZETCQYMHSA-N 0 3 184.670 2.324 10 0 AEAEHN N[C@H]1CCOc2cccc(Cl)c21 74284283 573299044 /nfs/dbraw/zinc/29/90/44/573299044.db2.gz VGEKVJWYOWETRF-ZETCQYMHSA-N 0 3 183.638 2.122 10 0 AEAEHN CN[C@H]1c2c(C)ccc(F)c2O[C@@H]1C 82939368 573299177 /nfs/dbraw/zinc/29/91/77/573299177.db2.gz STPDKUGBUDOYDS-GMSGAONNSA-N 0 3 195.237 2.176 10 0 AEAEHN CN[C@@H]1c2c(C)ccc(F)c2O[C@H]1C 82939367 573299312 /nfs/dbraw/zinc/29/93/12/573299312.db2.gz STPDKUGBUDOYDS-XVKPBYJWSA-N 0 3 195.237 2.176 10 0 AEAEHN CC[C@@H]1Oc2c(F)ccc(C)c2[C@@H]1N 82939373 573302374 /nfs/dbraw/zinc/30/23/74/573302374.db2.gz KYKKATNFHLZLLU-WCBMZHEXSA-N 0 3 195.237 2.305 10 0 AEAEHN CN[C@H](C)c1cnc(C)cc1Cl 238338736 573302469 /nfs/dbraw/zinc/30/24/69/573302469.db2.gz CSAFTEUYNMYRRM-SSDOTTSWSA-N 0 3 184.670 2.324 10 0 AEAEHN CN[C@H](C)c1cnc(F)c(Cl)c1 238338902 573302791 /nfs/dbraw/zinc/30/27/91/573302791.db2.gz CFCQRXWLOWTXJG-RXMQYKEDSA-N 0 3 188.633 2.155 10 0 AEAEHN Cc1nc2c(n1C(C)C)NCCC2 106488892 573302819 /nfs/dbraw/zinc/30/28/19/573302819.db2.gz VLEADFWZCXFMCU-UHFFFAOYSA-N 0 3 179.267 2.131 10 0 AEAEHN CC[C@@H](N)c1cccc(F)c1OC 74299498 573303060 /nfs/dbraw/zinc/30/30/60/573303060.db2.gz OWMYXZMZLKQITD-SECBINFHSA-N 0 3 183.226 2.244 10 0 AEAEHN CCc1nc([C@H](N)CC(C)C)c[nH]1 74301468 573303158 /nfs/dbraw/zinc/30/31/58/573303158.db2.gz RDQNTMLGYHKBCR-MRVPVSSYSA-N 0 3 181.283 2.018 10 0 AEAEHN F[C@@H](Cc1ccoc1)[C@H]1CCCCN1 236140624 573303269 /nfs/dbraw/zinc/30/32/69/573303269.db2.gz HOLRJNCCYWLDFV-WDEREUQCSA-N 0 3 197.253 2.302 10 0 AEAEHN C1CCC(CCCNC2COC2)CC1 308546317 573313924 /nfs/dbraw/zinc/31/39/24/573313924.db2.gz VWAUMCVHSLCEDP-UHFFFAOYSA-N 0 3 197.322 2.335 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1ncccc1C 86204882 573313303 /nfs/dbraw/zinc/31/33/03/573313303.db2.gz UWZYZASCAJJSIW-PWSUYJOCSA-N 0 3 190.290 2.364 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1ccco1 86204252 573313404 /nfs/dbraw/zinc/31/34/04/573313404.db2.gz QVKJBCCRIATBTI-PSASIEDQSA-N 0 3 165.236 2.254 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1ncccc1C 86204880 573313438 /nfs/dbraw/zinc/31/34/38/573313438.db2.gz UWZYZASCAJJSIW-CMPLNLGQSA-N 0 3 190.290 2.364 10 0 AEAEHN COc1ccc(F)cc1[C@@H]1NC[C@@H]1C 259414055 573313460 /nfs/dbraw/zinc/31/34/60/573313460.db2.gz ZOPWLXWXRFDXRT-WRWORJQWSA-N 0 3 195.237 2.115 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1cccc(C)n1 86204422 573313549 /nfs/dbraw/zinc/31/35/49/573313549.db2.gz OKMLUFGPJWDZNN-ZYHUDNBSSA-N 0 3 190.290 2.364 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1cc(C)ccn1 86204317 573313603 /nfs/dbraw/zinc/31/36/03/573313603.db2.gz LGBZCSWAFRINLS-ZYHUDNBSSA-N 0 3 190.290 2.364 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1ccco1 86204255 573313847 /nfs/dbraw/zinc/31/38/47/573313847.db2.gz QVKJBCCRIATBTI-WCBMZHEXSA-N 0 3 165.236 2.254 10 0 AEAEHN CC[C@H](N)c1sc(C)nc1C 74310838 573314504 /nfs/dbraw/zinc/31/45/04/573314504.db2.gz RIMPAIJZXFCGGB-ZETCQYMHSA-N 0 3 170.281 2.170 10 0 AEAEHN CCCN[C@H](CC)c1ccnc(C)n1 132462114 573314534 /nfs/dbraw/zinc/31/45/34/573314534.db2.gz HSPHJGIAOREERL-SNVBAGLBSA-N 0 3 193.294 2.236 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1ncccc1C 86204883 573314655 /nfs/dbraw/zinc/31/46/55/573314655.db2.gz UWZYZASCAJJSIW-JQWIXIFHSA-N 0 3 190.290 2.364 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1cc(C)ccn1 86204324 573314732 /nfs/dbraw/zinc/31/47/32/573314732.db2.gz LGBZCSWAFRINLS-JQWIXIFHSA-N 0 3 190.290 2.364 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1cc(C)ccn1 86204320 573314749 /nfs/dbraw/zinc/31/47/49/573314749.db2.gz LGBZCSWAFRINLS-CMPLNLGQSA-N 0 3 190.290 2.364 10 0 AEAEHN CC[C@H]1C[C@@]1(N)c1cccs1 86202375 573314814 /nfs/dbraw/zinc/31/48/14/573314814.db2.gz YLZUWPZGLCAAMY-CBAPKCEASA-N 0 3 167.277 2.332 10 0 AEAEHN CCC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 82946698 573314966 /nfs/dbraw/zinc/31/49/66/573314966.db2.gz MRUQMUAHAJCJRQ-DCAQKATOSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@H](NC[C@H](C)C1CC1)c1cc[nH]n1 132462239 573315006 /nfs/dbraw/zinc/31/50/06/573315006.db2.gz LIIRZWSSIZWUPG-IUCAKERBSA-N 0 3 193.294 2.106 10 0 AEAEHN CCC(=O)[C@H](C)N1CCC[C@H](C)CC1 82953638 573324252 /nfs/dbraw/zinc/32/42/52/573324252.db2.gz CZIQHOAUTUCUNM-QWRGUYRKSA-N 0 3 197.322 2.476 10 0 AEAEHN CC(C)C[C@H](C)[C@@H](N)c1ccnn1C 308553628 573324392 /nfs/dbraw/zinc/32/43/92/573324392.db2.gz RDLRJNWHWOYWTR-GXSJLCMTSA-N 0 3 195.310 2.102 10 0 AEAEHN CCN[C@@H](C)c1ccnc(C(C)C)n1 308552790 573324432 /nfs/dbraw/zinc/32/44/32/573324432.db2.gz YHUNNSIRYVQUSE-VIFPVBQESA-N 0 3 193.294 2.271 10 0 AEAEHN C[NH2+]C(C)(C)Cc1cccc(F)c1[O-] 106874420 573324436 /nfs/dbraw/zinc/32/44/36/573324436.db2.gz JAKMGJRPDWVZFT-UHFFFAOYSA-N 0 3 197.253 2.072 10 0 AEAEHN Cc1ccoc1[C@H](N)CC1CC1 74339136 573324446 /nfs/dbraw/zinc/32/44/46/573324446.db2.gz VNQGASWCSLZCPE-SECBINFHSA-N 0 3 165.236 2.388 10 0 AEAEHN CCC[C@H](C)C[C@H](N)c1cncn1C 126078765 573324520 /nfs/dbraw/zinc/32/45/20/573324520.db2.gz WJFOLKXOEYRZNG-UWVGGRQHSA-N 0 3 195.310 2.246 10 0 AEAEHN CCCCCC[C@H](N)c1cncn1C 126077571 573324615 /nfs/dbraw/zinc/32/46/15/573324615.db2.gz JRWZCTJPQBBDRQ-JTQLQIEISA-N 0 3 195.310 2.390 10 0 AEAEHN CCc1oc(C)c(CC)c1CN 74335627 573324624 /nfs/dbraw/zinc/32/46/24/573324624.db2.gz SXFTYFNBBWZHGX-UHFFFAOYSA-N 0 3 167.252 2.172 10 0 AEAEHN CCCc1ncc2ccc(C=O)cn12 258004354 573324663 /nfs/dbraw/zinc/32/46/63/573324663.db2.gz PSZUKMGCYMLIQL-UHFFFAOYSA-N 0 3 188.230 2.099 10 0 AEAEHN CCC[C@@H](C)C[C@@H](N)c1cncn1C 126079031 573324695 /nfs/dbraw/zinc/32/46/95/573324695.db2.gz WJFOLKXOEYRZNG-NXEZZACHSA-N 0 3 195.310 2.246 10 0 AEAEHN CC(C)C[C@@H](C)[C@@H](N)c1ccnn1C 308553630 573324762 /nfs/dbraw/zinc/32/47/62/573324762.db2.gz RDLRJNWHWOYWTR-MWLCHTKSSA-N 0 3 195.310 2.102 10 0 AEAEHN [O-]c1cc(Cl)cc([C@@H]2CC[NH2+]C2)c1 106874873 573324788 /nfs/dbraw/zinc/32/47/88/573324788.db2.gz UDESLGOUZWEEGF-SSDOTTSWSA-N 0 3 197.665 2.123 10 0 AEAEHN C[NH2+]C(C)(C)Cc1cccc([O-])c1F 106874436 573324800 /nfs/dbraw/zinc/32/48/00/573324800.db2.gz BEXWLIPBFNPNBJ-UHFFFAOYSA-N 0 3 197.253 2.072 10 0 AEAEHN C[C@H]1NCCOc2c(Cl)cccc21 106874906 573324914 /nfs/dbraw/zinc/32/49/14/573324914.db2.gz CQYGHZWSCDRPED-SSDOTTSWSA-N 0 3 197.665 2.383 10 0 AEAEHN C[NH2+]CC(C)(C)c1ccc([O-])c(F)c1 106874466 573324925 /nfs/dbraw/zinc/32/49/25/573324925.db2.gz NYBJJFDULBRKOY-UHFFFAOYSA-N 0 3 197.253 2.028 10 0 AEAEHN Cc1nc(C2CCN(C)CC2)cs1 259419689 573325098 /nfs/dbraw/zinc/32/50/98/573325098.db2.gz WSTAPGLZDMBBPN-UHFFFAOYSA-N 0 3 196.319 2.261 10 0 AEAEHN C[NH2+]CC(C)(C)c1ccc(F)cc1[O-] 106874422 573325131 /nfs/dbraw/zinc/32/51/31/573325131.db2.gz IQDFAIGFCALYJV-UHFFFAOYSA-N 0 3 197.253 2.028 10 0 AEAEHN CC(C)[C@H](C[NH3+])c1ccc(F)c([O-])c1 106874445 573325339 /nfs/dbraw/zinc/32/53/39/573325339.db2.gz WIOUVMFQGMHZSN-VIFPVBQESA-N 0 3 197.253 2.230 10 0 AEAEHN [O-]c1ccc(Cl)c([C@H]2CCC[NH2+]2)c1 106874887 573325527 /nfs/dbraw/zinc/32/55/27/573325527.db2.gz QJWMRDCPANXPTO-SNVBAGLBSA-N 0 3 197.665 2.470 10 0 AEAEHN CCCCC1(O)CCN(C2CC2)CC1 308548920 573325596 /nfs/dbraw/zinc/32/55/96/573325596.db2.gz WXVWJQOJQGSRGE-UHFFFAOYSA-N 0 3 197.322 2.166 10 0 AEAEHN NCc1ccc([C@@H]2CCCS2)nc1 258004902 573325694 /nfs/dbraw/zinc/32/56/94/573325694.db2.gz GPSHMWWHMBNRQO-JTQLQIEISA-N 0 3 194.303 2.108 10 0 AEAEHN CCN[C@H](C)c1ccnc(C(C)C)n1 308552789 573325845 /nfs/dbraw/zinc/32/58/45/573325845.db2.gz YHUNNSIRYVQUSE-SECBINFHSA-N 0 3 193.294 2.271 10 0 AEAEHN CC(C)C[C@@H](C)[C@H](N)c1ccnn1C 308553629 573325855 /nfs/dbraw/zinc/32/58/55/573325855.db2.gz RDLRJNWHWOYWTR-KOLCDFICSA-N 0 3 195.310 2.102 10 0 AEAEHN CN1CC[C@@H](c2ccc(F)c(F)c2)C1 117211586 573326101 /nfs/dbraw/zinc/32/61/01/573326101.db2.gz QDXUCQPDXXXLPM-SECBINFHSA-N 0 3 197.228 2.384 10 0 AEAEHN Cn1ccnc1NC1C(C)(C)C1(C)C 86240488 573326301 /nfs/dbraw/zinc/32/63/01/573326301.db2.gz TXFFUVVFFXVVTH-UHFFFAOYSA-N 0 3 193.294 2.267 10 0 AEAEHN C[NH2+]C[C@H](C)c1ccc([O-])cc1Cl 106877692 573326325 /nfs/dbraw/zinc/32/63/25/573326325.db2.gz BMESBJZPPYDDRI-ZETCQYMHSA-N 0 3 199.681 2.369 10 0 AEAEHN C[NH2+]C[C@H](C)c1cc([O-])cc(Cl)c1 106877679 573326342 /nfs/dbraw/zinc/32/63/42/573326342.db2.gz DCWUKJAXNRHMOO-ZETCQYMHSA-N 0 3 199.681 2.369 10 0 AEAEHN NCc1cocc1C1CCCC1 74339045 573326343 /nfs/dbraw/zinc/32/63/43/573326343.db2.gz PGFYMOSIBFTJBV-UHFFFAOYSA-N 0 3 165.236 2.396 10 0 AEAEHN CCC1(CC)CC(=O)CC(C)(C)N1 117163175 573326440 /nfs/dbraw/zinc/32/64/40/573326440.db2.gz BPAVPPMLBNUUIR-UHFFFAOYSA-N 0 3 183.295 2.276 10 0 AEAEHN CC(C)([NH3+])Cc1cccc([O-])c1Cl 106877656 573326483 /nfs/dbraw/zinc/32/64/83/573326483.db2.gz HCUAGLBAGHVYFT-UHFFFAOYSA-N 0 3 199.681 2.325 10 0 AEAEHN CC(C)(C[NH3+])c1cccc(Cl)c1[O-] 106877617 573326521 /nfs/dbraw/zinc/32/65/21/573326521.db2.gz XZNHULSLVDETIJ-UHFFFAOYSA-N 0 3 199.681 2.282 10 0 AEAEHN COc1ccc([C@H](C)N(C)C)cc1O 238343036 573326592 /nfs/dbraw/zinc/32/65/92/573326592.db2.gz QTMJAQZWHZZPBC-QMMMGPOBSA-N 0 3 195.262 2.023 10 0 AEAEHN F[C@H](Cc1ccoc1)[C@H]1CCCCN1 236160598 573327055 /nfs/dbraw/zinc/32/70/55/573327055.db2.gz HOLRJNCCYWLDFV-GHMZBOCLSA-N 0 3 197.253 2.302 10 0 AEAEHN CC(C)([NH3+])Cc1cc([O-])cc(Cl)c1 106877685 573328823 /nfs/dbraw/zinc/32/88/23/573328823.db2.gz ZSPZSKPMFWLLCN-UHFFFAOYSA-N 0 3 199.681 2.325 10 0 AEAEHN F[C@@H](C1=CCCCO1)[C@@H]1CCCCN1 236167300 573328958 /nfs/dbraw/zinc/32/89/58/573328958.db2.gz IHETWQWWALLCNX-GXSJLCMTSA-N 0 3 199.269 2.161 10 0 AEAEHN C[NH2+]C[C@@H](C)c1cccc(Cl)c1[O-] 106877625 573328963 /nfs/dbraw/zinc/32/89/63/573328963.db2.gz RFTFLBDZNWZLEJ-SSDOTTSWSA-N 0 3 199.681 2.369 10 0 AEAEHN C[NH2+]C[C@H](C)c1cccc(Cl)c1[O-] 106877623 573330092 /nfs/dbraw/zinc/33/00/92/573330092.db2.gz RFTFLBDZNWZLEJ-ZETCQYMHSA-N 0 3 199.681 2.369 10 0 AEAEHN C[NH2+]CCCc1cc([O-])cc(Cl)c1 106877511 573329328 /nfs/dbraw/zinc/32/93/28/573329328.db2.gz XHVZQYCPMCSEEK-UHFFFAOYSA-N 0 3 199.681 2.198 10 0 AEAEHN C[NH2+]C[C@@H](C)c1cc([O-])ccc1Cl 106877718 573329336 /nfs/dbraw/zinc/32/93/36/573329336.db2.gz YFCFDONBDZTONZ-SSDOTTSWSA-N 0 3 199.681 2.369 10 0 AEAEHN CCc1nc(CNCC(C)C)[nH]c1C 129522971 573329423 /nfs/dbraw/zinc/32/94/23/573329423.db2.gz GGEPNZRIZPEOET-UHFFFAOYSA-N 0 3 195.310 2.026 10 0 AEAEHN CCc1[nH]c(CNCC(C)C)nc1C 129522971 573329430 /nfs/dbraw/zinc/32/94/30/573329430.db2.gz GGEPNZRIZPEOET-UHFFFAOYSA-N 0 3 195.310 2.026 10 0 AEAEHN CC(C)(C)CNc1ncc(CN)s1 258631518 573329448 /nfs/dbraw/zinc/32/94/48/573329448.db2.gz DVCNKXKYDRUMBU-UHFFFAOYSA-N 0 3 199.323 2.060 10 0 AEAEHN C[NH2+]C[C@@H](C)c1ccc([O-])c(Cl)c1 106877702 573329615 /nfs/dbraw/zinc/32/96/15/573329615.db2.gz WVKLFBSFQOBXOK-SSDOTTSWSA-N 0 3 199.681 2.369 10 0 AEAEHN CCCN[C@H](C)c1cn(CC)c(C)n1 308549466 573329889 /nfs/dbraw/zinc/32/98/89/573329889.db2.gz PJVMTOYMLMWTDP-SECBINFHSA-N 0 3 195.310 2.272 10 0 AEAEHN Cc1cc(CNC(C)C)co1 74343072 573332017 /nfs/dbraw/zinc/33/20/17/573332017.db2.gz UODQMCWJJCZPDV-UHFFFAOYSA-N 0 3 153.225 2.086 10 0 AEAEHN CCc1cc(C)c(CN)s1 74342638 573331246 /nfs/dbraw/zinc/33/12/46/573331246.db2.gz GZOCFEHAMLMSOO-UHFFFAOYSA-N 0 3 155.266 2.078 10 0 AEAEHN C[NH2+]C[C@H](C)c1cc([O-])ccc1Cl 106877715 573331313 /nfs/dbraw/zinc/33/13/13/573331313.db2.gz YFCFDONBDZTONZ-ZETCQYMHSA-N 0 3 199.681 2.369 10 0 AEAEHN CC(C)c1cccnc1[C@@H](C)N 259420716 573332011 /nfs/dbraw/zinc/33/20/11/573332011.db2.gz SURRGXFMGXFYMP-MRVPVSSYSA-N 0 3 164.252 2.225 10 0 AEAEHN CC[C@H](C)N1CCC(=O)CC1(C)C 259422061 573334567 /nfs/dbraw/zinc/33/45/67/573334567.db2.gz NLEZESMOULDSHL-VIFPVBQESA-N 0 3 183.295 2.228 10 0 AEAEHN CCN[C@@H](c1cn(CC)cn1)C(C)C 308559727 573334633 /nfs/dbraw/zinc/33/46/33/573334633.db2.gz VDEJAQPIXLXUEX-LLVKDONJSA-N 0 3 195.310 2.210 10 0 AEAEHN CCCN[C@H](CC)c1cn(CC)cn1 308559779 573334784 /nfs/dbraw/zinc/33/47/84/573334784.db2.gz VFJKLQGPDAQESY-SNVBAGLBSA-N 0 3 195.310 2.354 10 0 AEAEHN CC(C)CO[C@@H](CN)c1ccsc1 43124864 573334865 /nfs/dbraw/zinc/33/48/65/573334865.db2.gz SHTIIXBFNKFKAQ-JTQLQIEISA-N 0 3 199.319 2.421 10 0 AEAEHN C[C@H](N)c1cn2ccc(Cl)cc2n1 74376313 573337764 /nfs/dbraw/zinc/33/77/64/573337764.db2.gz QAGPOXVHZJMOFB-LURJTMIESA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@H](N)c1cnc2cc(Cl)ccn12 74376511 573338065 /nfs/dbraw/zinc/33/80/65/573338065.db2.gz MCQDAJNSXGPCKF-LURJTMIESA-N 0 3 195.653 2.007 10 0 AEAEHN C[C@H]1CN[C@H](C2(C)CCC2)S1 686133033 573342143 /nfs/dbraw/zinc/34/21/43/573342143.db2.gz LCBXWWIUVNQSAU-YUMQZZPRSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@H]1CN[C@@H](C2(C)CCC2)S1 686133028 573342231 /nfs/dbraw/zinc/34/22/31/573342231.db2.gz LCBXWWIUVNQSAU-JGVFFNPUSA-N 0 3 171.309 2.228 10 0 AEAEHN CC1([C@H]2NCCCS2)CCC1 686132819 573342311 /nfs/dbraw/zinc/34/23/11/573342311.db2.gz KZVNMYKBPAXYBG-QMMMGPOBSA-N 0 3 171.309 2.229 10 0 AEAEHN CCc1ccc2c(c1)CN(C)CC2 74448240 573342332 /nfs/dbraw/zinc/34/23/32/573342332.db2.gz BDRLQBFHNLAAPU-UHFFFAOYSA-N 0 3 175.275 2.237 10 0 AEAEHN CCCCOCCNc1ccncc1 40507592 573342431 /nfs/dbraw/zinc/34/24/31/573342431.db2.gz PQOVLUYDQHAHSZ-UHFFFAOYSA-N 0 3 194.278 2.310 10 0 AEAEHN Cc1cccc([C@H]2CCC[C@@H](O)N2)c1 258634397 573342461 /nfs/dbraw/zinc/34/24/61/573342461.db2.gz LDWAETNZWLESQQ-VXGBXAGGSA-N 0 3 191.274 2.128 10 0 AEAEHN C[C@@H]1CN[C@H](C2(C)CCC2)S1 686133031 573342566 /nfs/dbraw/zinc/34/25/66/573342566.db2.gz LCBXWWIUVNQSAU-SFYZADRCSA-N 0 3 171.309 2.228 10 0 AEAEHN CCCCCN[C@H](CO)c1ccco1 308555580 573342665 /nfs/dbraw/zinc/34/26/65/573342665.db2.gz ZFNYAHYTXKVBBX-SNVBAGLBSA-N 0 3 197.278 2.093 10 0 AEAEHN CC(C)C[C@H](N)c1ncccc1F 124170407 573347812 /nfs/dbraw/zinc/34/78/12/573347812.db2.gz OEOFQFLGADYRDH-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)C(=O)CN1CCCCCCC1 86276277 573347234 /nfs/dbraw/zinc/34/72/34/573347234.db2.gz DFVOAOHCQAOAFF-UHFFFAOYSA-N 0 3 197.322 2.478 10 0 AEAEHN CC(C)C(=O)CN1CC[C@H](C)C[C@H]1C 86276634 573347262 /nfs/dbraw/zinc/34/72/62/573347262.db2.gz KPXMDPPGADTGGD-WDEREUQCSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)C(=O)CN1C[C@@H](C)CC[C@@H]1C 86276739 573347390 /nfs/dbraw/zinc/34/73/90/573347390.db2.gz MUCQWXOUOQISPS-QWRGUYRKSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(C)C(=O)CN1C[C@@H](C)C[C@@H](C)C1 86276283 573347511 /nfs/dbraw/zinc/34/75/11/573347511.db2.gz WEHICFZVHHAUTE-PHIMTYICSA-N 0 3 197.322 2.189 10 0 AEAEHN CC(C)C(=O)CN1[C@@H](C)CCC[C@H]1C 86276309 573347534 /nfs/dbraw/zinc/34/75/34/573347534.db2.gz SLADFMSLXMRFNQ-PHIMTYICSA-N 0 3 197.322 2.474 10 0 AEAEHN CC(C)C(=O)CN1CCCCCC1 86276300 573347617 /nfs/dbraw/zinc/34/76/17/573347617.db2.gz WOHAEKJXWBXOKW-UHFFFAOYSA-N 0 3 183.295 2.088 10 0 AEAEHN CC(C)C(=O)CN1CCCC[C@@H]1C 86276292 573347630 /nfs/dbraw/zinc/34/76/30/573347630.db2.gz GIWVICDRDHDQKA-JTQLQIEISA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)C(=O)CN1CCC[C@H](C)CC1 86276691 573347703 /nfs/dbraw/zinc/34/77/03/573347703.db2.gz NWWBDAJJNKPEMB-NSHDSACASA-N 0 3 197.322 2.334 10 0 AEAEHN C/C=C/CN[C@H](C)c1ccnc(F)c1 308556751 573347924 /nfs/dbraw/zinc/34/79/24/573347924.db2.gz ZUMHNOAARWWNLD-CDAZIORVSA-N 0 3 194.253 2.447 10 0 AEAEHN CCO[C@@H](CN)c1ccc(C)s1 43243865 573347958 /nfs/dbraw/zinc/34/79/58/573347958.db2.gz JYHZBEYXTLPPQQ-QMMMGPOBSA-N 0 3 185.292 2.093 10 0 AEAEHN CC(C)C(=O)CN1CCCCC[C@@H]1C 86276716 573347982 /nfs/dbraw/zinc/34/79/82/573347982.db2.gz SPNJZTSJGIADLI-NSHDSACASA-N 0 3 197.322 2.476 10 0 AEAEHN COc1cc(F)cc2c1[C@H](N)CCC2 238365585 573348016 /nfs/dbraw/zinc/34/80/16/573348016.db2.gz HEZYVEPJMVZWBR-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN CC(C)C[C@@H](N)c1ncccc1F 124170621 573348156 /nfs/dbraw/zinc/34/81/56/573348156.db2.gz OEOFQFLGADYRDH-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN C/C=C\CN[C@H](C)c1ccnc(F)c1 308556754 573348179 /nfs/dbraw/zinc/34/81/79/573348179.db2.gz ZUMHNOAARWWNLD-ZBJFTSOASA-N 0 3 194.253 2.447 10 0 AEAEHN CCCCCn1cc([C@H](C)N)nc1C 308557129 573348369 /nfs/dbraw/zinc/34/83/69/573348369.db2.gz TUBBIDWTAVJHIF-VIFPVBQESA-N 0 3 195.310 2.401 10 0 AEAEHN C/C=C/CN[C@@H](C)c1ccnc(F)c1 308556752 573348387 /nfs/dbraw/zinc/34/83/87/573348387.db2.gz ZUMHNOAARWWNLD-NWALNABHSA-N 0 3 194.253 2.447 10 0 AEAEHN CC(C)C(=O)CN1C[C@H](C)CC[C@@H]1C 86276738 573348493 /nfs/dbraw/zinc/34/84/93/573348493.db2.gz MUCQWXOUOQISPS-MNOVXSKESA-N 0 3 197.322 2.332 10 0 AEAEHN CCCCN1CCC(=O)[C@@H](C)[C@@H]1C 86302955 573357398 /nfs/dbraw/zinc/35/73/98/573357398.db2.gz MGRJLJICTOYJGN-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(C)(C)[C@H](CF)NC1CC1 107119535 573357556 /nfs/dbraw/zinc/35/75/56/573357556.db2.gz CSAZSASVKQVBGD-QMMMGPOBSA-N 0 3 159.248 2.123 10 0 AEAEHN CCC[C@@H](C)[C@@H](N)c1cn(CC)cn1 308562828 573361625 /nfs/dbraw/zinc/36/16/25/573361625.db2.gz XBIMKCRNKXBHIT-MWLCHTKSSA-N 0 3 195.310 2.339 10 0 AEAEHN CCC[C@H](C)[C@@H](N)c1cn(CC)cn1 308562826 573361801 /nfs/dbraw/zinc/36/18/01/573361801.db2.gz XBIMKCRNKXBHIT-GXSJLCMTSA-N 0 3 195.310 2.339 10 0 AEAEHN CC[C@H](F)CN(CC)C[C@H](C)OC 308367730 573362149 /nfs/dbraw/zinc/36/21/49/573362149.db2.gz OVXUYPWTJQOGRA-UWVGGRQHSA-N 0 3 191.290 2.091 10 0 AEAEHN C/C=C\CN(CC)C[C@@H]1CCCO1 308369388 573366139 /nfs/dbraw/zinc/36/61/39/573366139.db2.gz PQJNQVAKEFLEEZ-MZBZXASESA-N 0 3 183.295 2.063 10 0 AEAEHN CC(C)(F)[C@@H](N)Cc1ccccc1 107128493 573366424 /nfs/dbraw/zinc/36/64/24/573366424.db2.gz FRBFXQOWFXMIFP-JTQLQIEISA-N 0 3 181.254 2.305 10 0 AEAEHN N[C@H](CF)c1ccc2c(c1)CCC2 107126936 573366458 /nfs/dbraw/zinc/36/64/58/573366458.db2.gz NDNIOTBAESSYAK-LLVKDONJSA-N 0 3 179.238 2.145 10 0 AEAEHN CCCC[C@@H](N)c1c(C)ccnc1N 86322756 573366473 /nfs/dbraw/zinc/36/64/73/573366473.db2.gz AHMDTLSWJIODBT-SECBINFHSA-N 0 3 193.294 2.162 10 0 AEAEHN CC[C@@H](F)CN(CC)[C@@H](C)COC 308374014 573370314 /nfs/dbraw/zinc/37/03/14/573370314.db2.gz RIVVDTUEDXYKDA-VHSXEESVSA-N 0 3 191.290 2.091 10 0 AEAEHN CC(C)[C@@H]1CCNc2ccncc2N1 107135383 573370325 /nfs/dbraw/zinc/37/03/25/573370325.db2.gz YRMFAWSQEOTUAY-VIFPVBQESA-N 0 3 191.278 2.334 10 0 AEAEHN CN1CCC[C@H](N)c2c(F)cccc21 257797987 573370478 /nfs/dbraw/zinc/37/04/78/573370478.db2.gz HNXBEMRLOPSTBT-VIFPVBQESA-N 0 3 194.253 2.056 10 0 AEAEHN CC[C@H](CO)N[C@@H](C)c1occc1C 133050145 573370480 /nfs/dbraw/zinc/37/04/80/573370480.db2.gz KGVGGJFQTMSDNR-VHSXEESVSA-N 0 3 197.278 2.010 10 0 AEAEHN N[C@H](CF)Cc1c[nH]c2ccccc12 107135690 573370509 /nfs/dbraw/zinc/37/05/09/573370509.db2.gz QPWRYWJSIKBFDZ-VIFPVBQESA-N 0 3 192.237 2.007 10 0 AEAEHN CN1CCC[C@@H](N)c2c(F)cccc21 257797985 573370670 /nfs/dbraw/zinc/37/06/70/573370670.db2.gz HNXBEMRLOPSTBT-SECBINFHSA-N 0 3 194.253 2.056 10 0 AEAEHN F[C@@H]1CNC[C@@H]1Sc1ccccc1 258015077 573371081 /nfs/dbraw/zinc/37/10/81/573371081.db2.gz HOHIVJHEQWTPDI-ZJUUUORDSA-N 0 3 197.278 2.089 10 0 AEAEHN CC[C@H](F)CN(CC)[C@@H](C)COC 308374011 573371240 /nfs/dbraw/zinc/37/12/40/573371240.db2.gz RIVVDTUEDXYKDA-UWVGGRQHSA-N 0 3 191.290 2.091 10 0 AEAEHN COc1ccc([C@H]2CCN2)c(Cl)c1 238380314 573371318 /nfs/dbraw/zinc/37/13/18/573371318.db2.gz UFBLRNJIMNVPEQ-SNVBAGLBSA-N 0 3 197.665 2.383 10 0 AEAEHN NCc1cnn(C2CCCC2)c1Cl 258014892 573371453 /nfs/dbraw/zinc/37/14/53/573371453.db2.gz HLQCYHGQPKNNHQ-UHFFFAOYSA-N 0 3 199.685 2.110 10 0 AEAEHN C/C=C\CCN[C@H](C)c1nccn1C 308377758 573378738 /nfs/dbraw/zinc/37/87/38/573378738.db2.gz CBRXCPPYGUMSOD-UMCURTJPSA-N 0 3 193.294 2.037 10 0 AEAEHN Nc1cccc(NCC2CC=CC2)n1 717377270 573378804 /nfs/dbraw/zinc/37/88/04/573378804.db2.gz RBFVYNOQAGQLFL-UHFFFAOYSA-N 0 3 189.262 2.042 10 0 AEAEHN CO[C@@H](N)c1cc(C)c(C)cc1C 259431105 573378823 /nfs/dbraw/zinc/37/88/23/573378823.db2.gz NDHKELPMBXNENF-LLVKDONJSA-N 0 3 179.263 2.216 10 0 AEAEHN CCSCc1cn(C(C)C)c(N)n1 258016854 573379284 /nfs/dbraw/zinc/37/92/84/573379284.db2.gz CYWSBAPIIHKUAS-UHFFFAOYSA-N 0 3 199.323 2.299 10 0 AEAEHN COc1nc(C)ccc1[C@H](N)C(C)C 238372701 573379503 /nfs/dbraw/zinc/37/95/03/573379503.db2.gz MTYONTWIZMWKOF-SNVBAGLBSA-N 0 3 194.278 2.054 10 0 AEAEHN CC[C@](N)(c1nc(C)cs1)C1CC1 83058086 573379775 /nfs/dbraw/zinc/37/97/75/573379775.db2.gz YDAGLGKPRBZTAN-SNVBAGLBSA-N 0 3 196.319 2.426 10 0 AEAEHN CN[C@H](O)c1cccc2ccccc12 259431824 573380229 /nfs/dbraw/zinc/38/02/29/573380229.db2.gz OBDNQRYJWJEXOI-GFCCVEGCSA-N 0 3 187.242 2.050 10 0 AEAEHN CN[C@H](OC)c1ccc2c(c1)CCC2 259432767 573384548 /nfs/dbraw/zinc/38/45/48/573384548.db2.gz ZESIWBCYFLEXKY-GFCCVEGCSA-N 0 3 191.274 2.040 10 0 AEAEHN CC[C@H](C)CNCc1cccnc1F 308566662 573383886 /nfs/dbraw/zinc/38/38/86/573383886.db2.gz AVUKBPYTTLDIAS-VIFPVBQESA-N 0 3 196.269 2.356 10 0 AEAEHN COc1ccc([C@H](N)C2CC2)s1 238374232 573384050 /nfs/dbraw/zinc/38/40/50/573384050.db2.gz HEWJTZJWYCRKIS-SECBINFHSA-N 0 3 183.276 2.167 10 0 AEAEHN Cc1ccc(/C=C2\NCCCO2)cc1 308372808 573384361 /nfs/dbraw/zinc/38/43/61/573384361.db2.gz RFBINXBBBIKXBR-FMIVXFBMSA-N 0 3 189.258 2.303 10 0 AEAEHN Cn1c2cc[nH+]cc2c2cc([O-])ccc21 259434460 573385763 /nfs/dbraw/zinc/38/57/63/573385763.db2.gz LZAGBRMDHSLEGG-UHFFFAOYSA-N 0 3 198.225 2.432 10 0 AEAEHN CC[C@](C)(C(C)=O)N(C)C[C@H]1C[C@@H]1C 308566355 573386064 /nfs/dbraw/zinc/38/60/64/573386064.db2.gz YMBAXEBUBJKLEA-MVWJERBFSA-N 0 3 197.322 2.332 10 0 AEAEHN CCO[C@H](CN)c1sccc1C 43249329 573386072 /nfs/dbraw/zinc/38/60/72/573386072.db2.gz COFXNLZOOJXDCZ-MRVPVSSYSA-N 0 3 185.292 2.093 10 0 AEAEHN CCO[C@@H](CN)c1sccc1C 43249328 573386113 /nfs/dbraw/zinc/38/61/13/573386113.db2.gz COFXNLZOOJXDCZ-QMMMGPOBSA-N 0 3 185.292 2.093 10 0 AEAEHN COc1coc([C@@H]2CCCCN2)c1 238376388 573388513 /nfs/dbraw/zinc/38/85/13/573388513.db2.gz VEKZOVWPLIQWND-VIFPVBQESA-N 0 3 181.235 2.103 10 0 AEAEHN CC(C)(C)C1CCC2(CC1)NCCN2 197330160 573389113 /nfs/dbraw/zinc/38/91/13/573389113.db2.gz DMZNQGGPXSEZKZ-UHFFFAOYSA-N 0 3 196.338 2.112 10 0 AEAEHN Cc1ccc([C@@](C)(N)C2CC2)o1 107160733 573388808 /nfs/dbraw/zinc/38/88/08/573388808.db2.gz GEYNRZGHJCLWJL-JTQLQIEISA-N 0 3 165.236 2.172 10 0 AEAEHN CN[C@H](OC)c1ccc(C)cc1C 259438458 573396682 /nfs/dbraw/zinc/39/66/82/573396682.db2.gz ZSDDWUNUMHABKA-LLVKDONJSA-N 0 3 179.263 2.168 10 0 AEAEHN CN[C@@H](C)c1c[nH]nc1C1CCCC1 257810069 573398249 /nfs/dbraw/zinc/39/82/49/573398249.db2.gz ACBZSNMUTCULKQ-QMMMGPOBSA-N 0 3 193.294 2.348 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ccccn1 86390475 573398461 /nfs/dbraw/zinc/39/84/61/573398461.db2.gz GAIFCYNPTUEANT-PSASIEDQSA-N 0 3 164.252 2.128 10 0 AEAEHN CSc1cccc2c1[C@H](N)CCN2 238386412 573398519 /nfs/dbraw/zinc/39/85/19/573398519.db2.gz MFDYSNSYUMSZOJ-SSDOTTSWSA-N 0 3 194.303 2.224 10 0 AEAEHN N[C@@H]1CCSc2cccc(F)c21 107171301 573398724 /nfs/dbraw/zinc/39/87/24/573398724.db2.gz OHSIKMKLSFUQJS-SSDOTTSWSA-N 0 3 183.251 2.321 10 0 AEAEHN CSc1cccc2c1[C@@H](N)CCN2 238386426 573398816 /nfs/dbraw/zinc/39/88/16/573398816.db2.gz MFDYSNSYUMSZOJ-ZETCQYMHSA-N 0 3 194.303 2.224 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cccc(C)n1 86391245 573398852 /nfs/dbraw/zinc/39/88/52/573398852.db2.gz KDLNZSZGWBHVFB-GZMMTYOYSA-N 0 3 178.279 2.436 10 0 AEAEHN CC(C)Cc1c[nH]c(CNC(C)C)n1 259094924 573398887 /nfs/dbraw/zinc/39/88/87/573398887.db2.gz NHLITFUIIIJIIL-UHFFFAOYSA-N 0 3 195.310 2.106 10 0 AEAEHN Fc1cnccc1[C@H]1CCCCCN1 83094028 573398892 /nfs/dbraw/zinc/39/88/92/573398892.db2.gz DAEPUSQHRPBSOC-LLVKDONJSA-N 0 3 194.253 2.425 10 0 AEAEHN CN[C@H](C)c1c[nH]nc1C1CCCC1 257810068 573398958 /nfs/dbraw/zinc/39/89/58/573398958.db2.gz ACBZSNMUTCULKQ-MRVPVSSYSA-N 0 3 193.294 2.348 10 0 AEAEHN CC[C@@H](C)[C@H](N)c1ccccn1 86390467 573398993 /nfs/dbraw/zinc/39/89/93/573398993.db2.gz GAIFCYNPTUEANT-SCZZXKLOSA-N 0 3 164.252 2.128 10 0 AEAEHN CCC[C@@H](O)[C@H](N)c1ccccc1C 308571342 573399035 /nfs/dbraw/zinc/39/90/35/573399035.db2.gz FCYBAVBHCBWLBP-VXGBXAGGSA-N 0 3 193.290 2.156 10 0 AEAEHN CSc1cccc2c1CN[C@@H](C)C2 238386262 573399087 /nfs/dbraw/zinc/39/90/87/573399087.db2.gz NPEOHDQAQWLBJP-QMMMGPOBSA-N 0 3 193.315 2.443 10 0 AEAEHN CCc1cccnc1C1(N)CCCC1 259440060 573399296 /nfs/dbraw/zinc/39/92/96/573399296.db2.gz USNJKHBGRAIJTM-UHFFFAOYSA-N 0 3 190.290 2.372 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ncccc1C 86390811 573399380 /nfs/dbraw/zinc/39/93/80/573399380.db2.gz ZFGZZPQGRFVHMG-PSASIEDQSA-N 0 3 178.279 2.436 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ncccc1C 86390813 573399415 /nfs/dbraw/zinc/39/94/15/573399415.db2.gz ZFGZZPQGRFVHMG-WCBMZHEXSA-N 0 3 178.279 2.436 10 0 AEAEHN CCC[C@H](O)[C@@H](N)c1ccccc1C 308571341 573399487 /nfs/dbraw/zinc/39/94/87/573399487.db2.gz FCYBAVBHCBWLBP-RYUDHWBXSA-N 0 3 193.290 2.156 10 0 AEAEHN COc1cccc([C@@H](N)C(C)(C)C)n1 238388321 573399631 /nfs/dbraw/zinc/39/96/31/573399631.db2.gz KKZHPGVSKJMVQN-SNVBAGLBSA-N 0 3 194.278 2.136 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1cc(C)ccn1 86391321 573399661 /nfs/dbraw/zinc/39/96/61/573399661.db2.gz UUSRPUIXESSZIV-MWLCHTKSSA-N 0 3 178.279 2.436 10 0 AEAEHN CC[C@H](C)[C@H](N)c1cc(C)ccn1 86391319 573400206 /nfs/dbraw/zinc/40/02/06/573400206.db2.gz UUSRPUIXESSZIV-ONGXEEELSA-N 0 3 178.279 2.436 10 0 AEAEHN CCC1(N[C@@H](C)c2ncc[nH]2)CCC1 308574137 573406976 /nfs/dbraw/zinc/40/69/76/573406976.db2.gz CVSWQZZEHIUVCT-VIFPVBQESA-N 0 3 193.294 2.393 10 0 AEAEHN c1[nH]nc(C2CC2)c1[C@H]1CCCCN1 107178049 573406709 /nfs/dbraw/zinc/40/67/09/573406709.db2.gz HMTWIDIFXDZONB-SNVBAGLBSA-N 0 3 191.278 2.102 10 0 AEAEHN CCCc1nc2c(s1)CCC[C@@H]2N 83117064 573406737 /nfs/dbraw/zinc/40/67/37/573406737.db2.gz DDUWKWDDVBMJGT-ZETCQYMHSA-N 0 3 196.319 2.432 10 0 AEAEHN CCC[C@H](NC)c1ccncc1F 133572067 573413019 /nfs/dbraw/zinc/41/30/19/573413019.db2.gz FHHNLNJJRVAXPP-JTQLQIEISA-N 0 3 182.242 2.281 10 0 AEAEHN Cc1nc(C2CCC2)ncc1[C@H](C)N 83136516 573416864 /nfs/dbraw/zinc/41/68/64/573416864.db2.gz QOPXKFRLWLLUMI-ZETCQYMHSA-N 0 3 191.278 2.072 10 0 AEAEHN N[C@H]1CCCc2ccc(Cl)nc21 118594091 573416881 /nfs/dbraw/zinc/41/68/81/573416881.db2.gz IEVYMQKRNGSTKJ-ZETCQYMHSA-N 0 3 182.654 2.071 10 0 AEAEHN CNCc1sc(C2CCC2)nc1C 83136354 573417000 /nfs/dbraw/zinc/41/70/00/573417000.db2.gz NPTYXBSHUMSIOU-UHFFFAOYSA-N 0 3 196.319 2.438 10 0 AEAEHN Cc1nc(CCCN2CCC2)cs1 308381206 573419773 /nfs/dbraw/zinc/41/97/73/573419773.db2.gz QOQPOCQKVNIKPC-UHFFFAOYSA-N 0 3 196.319 2.090 10 0 AEAEHN Cc1cccc2c1CC[C@@](F)(CN)C2 257810864 573419909 /nfs/dbraw/zinc/41/99/09/573419909.db2.gz ATUACBVKICBJBX-LBPRGKRZSA-N 0 3 193.265 2.151 10 0 AEAEHN C[C@@H](N)c1cc(F)cc2c1OCCC2 238385360 573420427 /nfs/dbraw/zinc/42/04/27/573420427.db2.gz PPVXGJVCFJKUNO-SSDOTTSWSA-N 0 3 195.237 2.170 10 0 AEAEHN C1CC(c2nc3c(s2)CNCC3)C1 83136384 573420596 /nfs/dbraw/zinc/42/05/96/573420596.db2.gz GSGQSUCAHAKQNR-UHFFFAOYSA-N 0 3 194.303 2.056 10 0 AEAEHN C[C@@H]1CNc2cnc3ccccc3c2N1 162165234 573420734 /nfs/dbraw/zinc/42/07/34/573420734.db2.gz VZXCTTYIXOTPOF-MRVPVSSYSA-N 0 3 199.257 2.461 10 0 AEAEHN CSc1ccc(C2([NH3+])CC2)cc1[O-] 258024592 573420881 /nfs/dbraw/zinc/42/08/81/573420881.db2.gz IKKMIKVKGBZGIH-UHFFFAOYSA-N 0 3 195.287 2.062 10 0 AEAEHN Cc1cc(Cl)c(CN)c(C)c1O 258024774 573421026 /nfs/dbraw/zinc/42/10/26/573421026.db2.gz IOOLUPIYXIGFGK-UHFFFAOYSA-N 0 3 185.654 2.121 10 0 AEAEHN Cc1ccc(OC[C@@](C)(F)CN)cc1 257811535 573425251 /nfs/dbraw/zinc/42/52/51/573425251.db2.gz BEPLKLRMPUNTPE-NSHDSACASA-N 0 3 197.253 2.061 10 0 AEAEHN CC(C)(C)CCNCc1cnco1 129987191 573427493 /nfs/dbraw/zinc/42/74/93/573427493.db2.gz VAIWYULVVDJHCN-UHFFFAOYSA-N 0 3 182.267 2.200 10 0 AEAEHN Cc1cc([O-])c(Cl)cc1/C=C/C[NH3+] 258027742 573427604 /nfs/dbraw/zinc/42/76/04/573427604.db2.gz ITNIXIYEMFDSTG-NSCUHMNNSA-N 0 3 197.665 2.326 10 0 AEAEHN COc1cccc([C@H](F)[C@H](C)N)c1 238392668 573431175 /nfs/dbraw/zinc/43/11/75/573431175.db2.gz BHPMGIWJUYLETA-OIBJUYFYSA-N 0 3 183.226 2.053 10 0 AEAEHN Cc1ccccc1C[C@@H](F)C1(N)CC1 257812542 573431195 /nfs/dbraw/zinc/43/11/95/573431195.db2.gz BSYWWJBACDGPDK-LLVKDONJSA-N 0 3 193.265 2.367 10 0 AEAEHN C[C@H](c1ccccc1N)N1CC=CC1 118881940 573434154 /nfs/dbraw/zinc/43/41/54/573434154.db2.gz GCQQRSZXZSEQLX-SNVBAGLBSA-N 0 3 188.274 2.202 10 0 AEAEHN CC(C)Cc1ncc2cccc(O)n12 258030775 573434210 /nfs/dbraw/zinc/43/42/10/573434210.db2.gz ROKXWGSXDHKMKP-UHFFFAOYSA-N 0 3 190.246 2.238 10 0 AEAEHN C[C@@H]1NCS[C@@H]1c1ccccc1 238393949 573434256 /nfs/dbraw/zinc/43/42/56/573434256.db2.gz YDMGIEXWRINSAQ-WPRPVWTQSA-N 0 3 179.288 2.410 10 0 AEAEHN C[C@](F)(CN)CC1CCSCC1 257812283 573434292 /nfs/dbraw/zinc/43/42/92/573434292.db2.gz BQIODGNXVUACOJ-SECBINFHSA-N 0 3 191.315 2.207 10 0 AEAEHN C[C@@H](N)[C@H](OC1CCC1)c1ccco1 50519336 573446890 /nfs/dbraw/zinc/44/68/90/573446890.db2.gz XJTHLEUIHHQFOJ-KCJUWKMLSA-N 0 3 195.262 2.237 10 0 AEAEHN Cc1cccc([C@@]2(C)NC[C@@H](C)O2)c1 258657749 573446570 /nfs/dbraw/zinc/44/65/70/573446570.db2.gz SJNVYZHCEWUTPV-PWSUYJOCSA-N 0 3 191.274 2.176 10 0 AEAEHN NC[C@H](OC1CCC1)c1ccsc1 50519232 573446584 /nfs/dbraw/zinc/44/65/84/573446584.db2.gz LIQMJEUEXUXPOW-JTQLQIEISA-N 0 3 197.303 2.317 10 0 AEAEHN Cc1cccc([C@@]2(C)NC[C@H](C)O2)c1 258657725 573446715 /nfs/dbraw/zinc/44/67/15/573446715.db2.gz SJNVYZHCEWUTPV-JQWIXIFHSA-N 0 3 191.274 2.176 10 0 AEAEHN C[C@@H]1Cc2cc(F)cc([C@@H](C)N)c2O1 259452089 573446747 /nfs/dbraw/zinc/44/67/47/573446747.db2.gz MAJBFUAIPLAXAV-RNFRBKRXSA-N 0 3 195.237 2.169 10 0 AEAEHN CC(C)(C)CCNCc1ccncn1 129955724 573457230 /nfs/dbraw/zinc/45/72/30/573457230.db2.gz BDFBEBDDSIAKIY-UHFFFAOYSA-N 0 3 193.294 2.002 10 0 AEAEHN CC(C)Cc1ncc(CN)cc1Cl 257817878 573457244 /nfs/dbraw/zinc/45/72/44/573457244.db2.gz CLMCYBLAJXISAX-UHFFFAOYSA-N 0 3 198.697 2.392 10 0 AEAEHN CNCc1cncn1CCC(C)(C)C 130159689 573457248 /nfs/dbraw/zinc/45/72/48/573457248.db2.gz GIBFTGVLIAHBTF-UHFFFAOYSA-N 0 3 195.310 2.039 10 0 AEAEHN CCSc1cccc(F)c1CN 86476600 573457332 /nfs/dbraw/zinc/45/73/32/573457332.db2.gz OLUQJXSAHPTHKH-UHFFFAOYSA-N 0 3 185.267 2.396 10 0 AEAEHN Cc1ccoc1[C@H](C)N[C@H](C)[C@H](C)O 308590079 573457390 /nfs/dbraw/zinc/45/73/90/573457390.db2.gz JZQQRSCUZSTJPR-UTLUCORTSA-N 0 3 197.278 2.008 10 0 AEAEHN CCSc1cccc(F)c1C(=N)N 86477302 573457398 /nfs/dbraw/zinc/45/73/98/573457398.db2.gz BSKALHWZUQWVPN-UHFFFAOYSA-N 0 3 198.266 2.222 10 0 AEAEHN CCCc1nc(CNC(C)C)[nH]c1C 258497689 573457428 /nfs/dbraw/zinc/45/74/28/573457428.db2.gz DOTCRSRQKUKDEG-UHFFFAOYSA-N 0 3 195.310 2.169 10 0 AEAEHN CCCc1[nH]c(CNC(C)C)nc1C 258497689 573457434 /nfs/dbraw/zinc/45/74/34/573457434.db2.gz DOTCRSRQKUKDEG-UHFFFAOYSA-N 0 3 195.310 2.169 10 0 AEAEHN CC1(C)CN[C@](C)(c2ccccc2)O1 258360976 573457475 /nfs/dbraw/zinc/45/74/75/573457475.db2.gz GFZJPQSJXPJFGV-LBPRGKRZSA-N 0 3 191.274 2.258 10 0 AEAEHN CN[C@@H](CCCCOC)c1ccoc1 308591508 573457764 /nfs/dbraw/zinc/45/77/64/573457764.db2.gz PDYOADKKSWMENU-NSHDSACASA-N 0 3 197.278 2.357 10 0 AEAEHN CC1(C)CC(=O)CC2(CCCCC2)N1 138289703 573457906 /nfs/dbraw/zinc/45/79/06/573457906.db2.gz ZMENCCJXKBIGBG-UHFFFAOYSA-N 0 3 195.306 2.420 10 0 AEAEHN Fc1ccc([C@@H]2CCNC[C@H]2F)cc1 107276687 573468557 /nfs/dbraw/zinc/46/85/57/573468557.db2.gz ZABBMBZRINNGHE-WDEREUQCSA-N 0 3 197.228 2.241 10 0 AEAEHN CC(C)(C)C(F)(F)[C@@H]1CCCN1 107273613 573467934 /nfs/dbraw/zinc/46/79/34/573467934.db2.gz GHPMNBCDTXQHDM-ZETCQYMHSA-N 0 3 177.238 2.420 10 0 AEAEHN CC(C)(C)[C@](F)(CN)C(F)(F)F 107273982 573467938 /nfs/dbraw/zinc/46/79/38/573467938.db2.gz OAUOFFRTLDEBMU-ZCFIWIBFSA-N 0 3 187.180 2.262 10 0 AEAEHN Fc1ccc([C@@H]2NCC[C@H]2F)cc1 107276627 573467957 /nfs/dbraw/zinc/46/79/57/573467957.db2.gz CEKYBHLQVAHERU-ZJUUUORDSA-N 0 3 183.201 2.198 10 0 AEAEHN C[C@]1(c2ccccc2)NCC[C@H]1F 107275161 573468039 /nfs/dbraw/zinc/46/80/39/573468039.db2.gz HWFKUDRGUZDXGE-GHMZBOCLSA-N 0 3 179.238 2.233 10 0 AEAEHN CC(C)(C)[C@H]1CC(F)(F)CN1 107273722 573468053 /nfs/dbraw/zinc/46/80/53/573468053.db2.gz HNNQVDMNPGDPQO-ZCFIWIBFSA-N 0 3 163.211 2.030 10 0 AEAEHN Fc1ccc([C@@H]2NCC[C@@H]2F)cc1 107276632 573468156 /nfs/dbraw/zinc/46/81/56/573468156.db2.gz CEKYBHLQVAHERU-UWVGGRQHSA-N 0 3 183.201 2.198 10 0 AEAEHN Fc1cccc([C@H]2NCC[C@H]2F)c1 107276006 573468241 /nfs/dbraw/zinc/46/82/41/573468241.db2.gz DNNKXVJUFYTKMY-NXEZZACHSA-N 0 3 183.201 2.198 10 0 AEAEHN F[C@@H]1CCN[C@@H]1c1ccccc1 107274957 573468253 /nfs/dbraw/zinc/46/82/53/573468253.db2.gz ZKCXZXVTEHQSGG-NXEZZACHSA-N 0 3 165.211 2.059 10 0 AEAEHN Fc1cccc([C@@H]2CCNC[C@@H]2F)c1 107276047 573468294 /nfs/dbraw/zinc/46/82/94/573468294.db2.gz GKBLCUJJWPWFJH-QWRGUYRKSA-N 0 3 197.228 2.241 10 0 AEAEHN F[C@H]1CCN[C@@H]1c1ccccc1 107274964 573468362 /nfs/dbraw/zinc/46/83/62/573468362.db2.gz ZKCXZXVTEHQSGG-VHSXEESVSA-N 0 3 165.211 2.059 10 0 AEAEHN Fc1ccccc1[C@]1(F)CCCNC1 107275575 573468466 /nfs/dbraw/zinc/46/84/66/573468466.db2.gz QIMGCMWWMLCLAB-NSHDSACASA-N 0 3 197.228 2.374 10 0 AEAEHN F[C@H]1CCN[C@H]1c1ccccc1 107274967 573468481 /nfs/dbraw/zinc/46/84/81/573468481.db2.gz ZKCXZXVTEHQSGG-UWVGGRQHSA-N 0 3 165.211 2.059 10 0 AEAEHN C[C@](F)(c1cccc(F)c1)[C@H]1CCN1 257815617 573468483 /nfs/dbraw/zinc/46/84/83/573468483.db2.gz DBQSKHDAXHNLTL-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@]1(c2cccc(F)c2)NCC[C@H]1F 107276365 573468644 /nfs/dbraw/zinc/46/86/44/573468644.db2.gz JDIBHGUFKKONLW-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@@H](N)[C@@H](F)c1cccc(F)c1 107275873 573468811 /nfs/dbraw/zinc/46/88/11/573468811.db2.gz GBWXQCHGLRSKCX-HZGVNTEJSA-N 0 3 171.190 2.184 10 0 AEAEHN CCCc1c([C@@H](C)NC)cnn1CC 257815559 573468836 /nfs/dbraw/zinc/46/88/36/573468836.db2.gz CYRQBMDCWJOEIF-SECBINFHSA-N 0 3 195.310 2.136 10 0 AEAEHN C[C@H](N)[C@@H](F)c1cccc(F)c1 107275870 573468875 /nfs/dbraw/zinc/46/88/75/573468875.db2.gz GBWXQCHGLRSKCX-IMTBSYHQSA-N 0 3 171.190 2.184 10 0 AEAEHN C[C@@H](N)[C@@H](F)c1ccccc1F 107275253 573468933 /nfs/dbraw/zinc/46/89/33/573468933.db2.gz NBPPTHVXJIOUQI-HZGVNTEJSA-N 0 3 171.190 2.184 10 0 AEAEHN C[C@@](F)(c1cccc(F)c1)[C@@H]1CCN1 257815619 573468961 /nfs/dbraw/zinc/46/89/61/573468961.db2.gz DBQSKHDAXHNLTL-WDEREUQCSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@H](N)[C@@H](F)c1ccccc1F 107275250 573468972 /nfs/dbraw/zinc/46/89/72/573468972.db2.gz NBPPTHVXJIOUQI-IMTBSYHQSA-N 0 3 171.190 2.184 10 0 AEAEHN CC(C)(C)[C@@H]1CC(F)(F)CN1 107273721 573469192 /nfs/dbraw/zinc/46/91/92/573469192.db2.gz HNNQVDMNPGDPQO-LURJTMIESA-N 0 3 163.211 2.030 10 0 AEAEHN Fc1cccc([C@H]2CCNC[C@@H]2F)c1 107276050 573469225 /nfs/dbraw/zinc/46/92/25/573469225.db2.gz GKBLCUJJWPWFJH-MNOVXSKESA-N 0 3 197.228 2.241 10 0 AEAEHN CC(C)=CCN[C@H](C)c1cncnc1 308584291 573469379 /nfs/dbraw/zinc/46/93/79/573469379.db2.gz QZFUVUXEWYYDQG-SNVBAGLBSA-N 0 3 191.278 2.093 10 0 AEAEHN Fc1ccc([C@H]2CCNC[C@H]2F)cc1 107276691 573469415 /nfs/dbraw/zinc/46/94/15/573469415.db2.gz ZABBMBZRINNGHE-GHMZBOCLSA-N 0 3 197.228 2.241 10 0 AEAEHN CC(C)(C)[C@@](F)(CN)C(F)(F)F 107273980 573469461 /nfs/dbraw/zinc/46/94/61/573469461.db2.gz OAUOFFRTLDEBMU-LURJTMIESA-N 0 3 187.180 2.262 10 0 AEAEHN Cc1ccc([C@]2(C)NC[C@@H](C)O2)cc1 258391232 573469536 /nfs/dbraw/zinc/46/95/36/573469536.db2.gz HTNFPDZGVOCNBL-ZYHUDNBSSA-N 0 3 191.274 2.176 10 0 AEAEHN C[C@](F)(c1cccc(F)c1)[C@@H]1CCN1 257815618 573469545 /nfs/dbraw/zinc/46/95/45/573469545.db2.gz DBQSKHDAXHNLTL-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN CCCn1cc(C)c(CNC(C)C)n1 308584582 573469573 /nfs/dbraw/zinc/46/95/73/573469573.db2.gz HVHQTESORHMSKM-UHFFFAOYSA-N 0 3 195.310 2.100 10 0 AEAEHN Fc1ccccc1[C@@H]1CCNC[C@@H]1F 107275426 573469587 /nfs/dbraw/zinc/46/95/87/573469587.db2.gz MRZULKJNCDIBRN-ONGXEEELSA-N 0 3 197.228 2.241 10 0 AEAEHN C[C@@]1(c2cccc(F)c2)NCC[C@H]1F 107276360 573469654 /nfs/dbraw/zinc/46/96/54/573469654.db2.gz JDIBHGUFKKONLW-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN F[C@H]1CNCC[C@@H]1Cc1ccccc1 107274393 573469668 /nfs/dbraw/zinc/46/96/68/573469668.db2.gz XIFVUJPPJSPIJH-NEPJUHHUSA-N 0 3 193.265 2.177 10 0 AEAEHN C[C@@]1(c2ccc(F)cc2)NCC[C@@H]1F 107276948 573469721 /nfs/dbraw/zinc/46/97/21/573469721.db2.gz OIMKUCIEKYYBGC-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@@H](N)[C@H](F)c1ccccc1F 107275247 573469760 /nfs/dbraw/zinc/46/97/60/573469760.db2.gz NBPPTHVXJIOUQI-MUWHJKNJSA-N 0 3 171.190 2.184 10 0 AEAEHN C[C@H](N)[C@H](F)c1cccc(F)c1 107275866 573469901 /nfs/dbraw/zinc/46/99/01/573469901.db2.gz GBWXQCHGLRSKCX-RCOVLWMOSA-N 0 3 171.190 2.184 10 0 AEAEHN C[C@@H](N)[C@H](F)c1cccc(F)c1 107275869 573470021 /nfs/dbraw/zinc/47/00/21/573470021.db2.gz GBWXQCHGLRSKCX-MUWHJKNJSA-N 0 3 171.190 2.184 10 0 AEAEHN CC(C)(C)[C@H]1NCCC1(F)F 107273703 573470085 /nfs/dbraw/zinc/47/00/85/573470085.db2.gz UIYAGQJPMFYASJ-ZCFIWIBFSA-N 0 3 163.211 2.030 10 0 AEAEHN C[C@@]1(c2cccc(F)c2)NCC[C@@H]1F 107276368 573470095 /nfs/dbraw/zinc/47/00/95/573470095.db2.gz JDIBHGUFKKONLW-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN Fc1ccc([C@H]2CCNC[C@@H]2F)cc1 107276684 573470133 /nfs/dbraw/zinc/47/01/33/573470133.db2.gz ZABBMBZRINNGHE-MNOVXSKESA-N 0 3 197.228 2.241 10 0 AEAEHN CC(C)(C)[C@@]1(F)CCCNC1 107273965 573470176 /nfs/dbraw/zinc/47/01/76/573470176.db2.gz VLIQZCUAAWLUOG-SECBINFHSA-N 0 3 159.248 2.124 10 0 AEAEHN CCC(CC)[C@H](C)C[C@H]1COCCN1 308584137 573470178 /nfs/dbraw/zinc/47/01/78/573470178.db2.gz LFWDEZMMHLPJPI-PWSUYJOCSA-N 0 3 199.338 2.437 10 0 AEAEHN CC(C)(C)[C@@H]1NCCC1(F)F 107273705 573470202 /nfs/dbraw/zinc/47/02/02/573470202.db2.gz UIYAGQJPMFYASJ-LURJTMIESA-N 0 3 163.211 2.030 10 0 AEAEHN Fc1cccc([C@@H]2NCC[C@H]2F)c1 107276009 573470317 /nfs/dbraw/zinc/47/03/17/573470317.db2.gz DNNKXVJUFYTKMY-ZJUUUORDSA-N 0 3 183.201 2.198 10 0 AEAEHN C[C@H](N)[C@@H](F)c1ccc(F)cc1 107276505 573470374 /nfs/dbraw/zinc/47/03/74/573470374.db2.gz MKKCBLXFYRSQOF-IMTBSYHQSA-N 0 3 171.190 2.184 10 0 AEAEHN Fc1ccc([C@@H]2CCNC[C@@H]2F)cc1 107276680 573470404 /nfs/dbraw/zinc/47/04/04/573470404.db2.gz ZABBMBZRINNGHE-QWRGUYRKSA-N 0 3 197.228 2.241 10 0 AEAEHN C[C@@]1(c2ccccc2F)NCC[C@@H]1F 107275732 573470419 /nfs/dbraw/zinc/47/04/19/573470419.db2.gz RXGDUSQATFIJOM-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN C[C@@H](N)[C@@H](F)c1ccc(F)cc1 107276508 573470450 /nfs/dbraw/zinc/47/04/50/573470450.db2.gz MKKCBLXFYRSQOF-HZGVNTEJSA-N 0 3 171.190 2.184 10 0 AEAEHN Fc1ccccc1[C@@H]1CCNC[C@H]1F 107275432 573470488 /nfs/dbraw/zinc/47/04/88/573470488.db2.gz MRZULKJNCDIBRN-GXSJLCMTSA-N 0 3 197.228 2.241 10 0 AEAEHN Fc1cccc([C@H]2NCC[C@@H]2F)c1 107276011 573470566 /nfs/dbraw/zinc/47/05/66/573470566.db2.gz DNNKXVJUFYTKMY-VHSXEESVSA-N 0 3 183.201 2.198 10 0 AEAEHN CN[C@H](C)c1cnc(C(C)C)s1 642816384 573470695 /nfs/dbraw/zinc/47/06/95/573470695.db2.gz ITWQDRDPPWRCQZ-SSDOTTSWSA-N 0 3 183.300 2.040 10 0 AEAEHN CC[C@H]1CO[C@@H](c2ccccc2)N1 141974034 573470862 /nfs/dbraw/zinc/47/08/62/573470862.db2.gz HDGYFMLSNJDSDJ-QWRGUYRKSA-N 0 3 177.247 2.084 10 0 AEAEHN COc1c(F)cccc1C1(N)CCC1 75068166 573472881 /nfs/dbraw/zinc/47/28/81/573472881.db2.gz IOCOUCCREIXWQM-UHFFFAOYSA-N 0 3 195.237 2.172 10 0 AEAEHN [O-]c1ccc([C@H]2CC[NH2+]C2)c(Cl)c1 75068278 573472963 /nfs/dbraw/zinc/47/29/63/573472963.db2.gz XFVAQTJJIVCUEH-ZETCQYMHSA-N 0 3 197.665 2.123 10 0 AEAEHN CC(C)(N)[C@](C)(F)c1ccccc1O 257820733 573473105 /nfs/dbraw/zinc/47/31/05/573473105.db2.gz FWSJJJSJAYNKFW-LLVKDONJSA-N 0 3 197.253 2.314 10 0 AEAEHN [O-]c1c(Cl)cccc1[C@@H]1CC[NH2+]C1 75068282 573473142 /nfs/dbraw/zinc/47/31/42/573473142.db2.gz ROOMQMAZNKXWFB-SSDOTTSWSA-N 0 3 197.665 2.123 10 0 AEAEHN CSCC[C@@H](N)c1ccc(C)o1 259100422 573473393 /nfs/dbraw/zinc/47/33/93/573473393.db2.gz JVHJFYUBOOGURV-MRVPVSSYSA-N 0 3 185.292 2.341 10 0 AEAEHN [O-]c1ccc([C@@H]2CC[NH2+]C2)c(Cl)c1 75068277 573473415 /nfs/dbraw/zinc/47/34/15/573473415.db2.gz XFVAQTJJIVCUEH-SSDOTTSWSA-N 0 3 197.665 2.123 10 0 AEAEHN C[C@H]1CN=C(NC(C)(C)C)SC1 83386418 573473452 /nfs/dbraw/zinc/47/34/52/573473452.db2.gz SKUUEQQOPZPOII-ZETCQYMHSA-N 0 3 186.324 2.113 10 0 AEAEHN C[C@@H]1CN=C(NC(C)(C)C)SC1 83386417 573473490 /nfs/dbraw/zinc/47/34/90/573473490.db2.gz SKUUEQQOPZPOII-SSDOTTSWSA-N 0 3 186.324 2.113 10 0 AEAEHN [O-]c1c(Cl)cccc1[C@H]1CC[NH2+]C1 75068283 573473897 /nfs/dbraw/zinc/47/38/97/573473897.db2.gz ROOMQMAZNKXWFB-ZETCQYMHSA-N 0 3 197.665 2.123 10 0 AEAEHN COc1cc(Cl)ccc1C1(N)CC1 75068281 573473919 /nfs/dbraw/zinc/47/39/19/573473919.db2.gz ANUBPSFPKKNOPG-UHFFFAOYSA-N 0 3 197.665 2.296 10 0 AEAEHN CC(C)([NH3+])c1ccc([O-])cc1Cl 75067890 573473961 /nfs/dbraw/zinc/47/39/61/573473961.db2.gz GQLSWFJRXNIAIM-UHFFFAOYSA-N 0 3 185.654 2.239 10 0 AEAEHN C[C@H]1CN=C(N[C@H]2CC2(C)C)SC1 83386942 573473963 /nfs/dbraw/zinc/47/39/63/573473963.db2.gz NWCYXMUZNRNOPL-YUMQZZPRSA-N 0 3 198.335 2.113 10 0 AEAEHN Cc1ccc([C@H]2CCC[C@@H](O)N2)cc1 258667406 573474032 /nfs/dbraw/zinc/47/40/32/573474032.db2.gz MKEMEJLUZDJQAY-VXGBXAGGSA-N 0 3 191.274 2.128 10 0 AEAEHN CC1(C)C[C@H]1c1nc(CN)cs1 83340741 573474081 /nfs/dbraw/zinc/47/40/81/573474081.db2.gz UKSZHLZPVOCSML-ZETCQYMHSA-N 0 3 182.292 2.115 10 0 AEAEHN [O-]c1cc(Cl)ccc1[C@H]1CC[NH2+]C1 75068280 573474175 /nfs/dbraw/zinc/47/41/75/573474175.db2.gz YUQOZLMFRSYMCU-ZETCQYMHSA-N 0 3 197.665 2.123 10 0 AEAEHN CC(C)[NH2+]Cc1ccc([O-])cc1F 83340818 573474312 /nfs/dbraw/zinc/47/43/12/573474312.db2.gz AAHHSZMSRXPOFV-UHFFFAOYSA-N 0 3 183.226 2.029 10 0 AEAEHN C[C@@H]1CN=C(N[C@H]2CC2(C)C)SC1 83386941 573474367 /nfs/dbraw/zinc/47/43/67/573474367.db2.gz NWCYXMUZNRNOPL-SFYZADRCSA-N 0 3 198.335 2.113 10 0 AEAEHN CNCc1cccc(Cl)c1OC 75067895 573474400 /nfs/dbraw/zinc/47/44/00/573474400.db2.gz JYDAPLHSFZAAMN-UHFFFAOYSA-N 0 3 185.654 2.068 10 0 AEAEHN COc1ccc(F)cc1C1(N)CCC1 75068168 573474416 /nfs/dbraw/zinc/47/44/16/573474416.db2.gz OCTSVXNLTNTHDF-UHFFFAOYSA-N 0 3 195.237 2.172 10 0 AEAEHN CC(C)=Cc1nc(CN)cs1 83339933 573474554 /nfs/dbraw/zinc/47/45/54/573474554.db2.gz IXYWWPFIKJZZMI-UHFFFAOYSA-N 0 3 168.265 2.025 10 0 AEAEHN CC[C@@H](C)N[C@H](C)c1cn(C)c(C)n1 308585579 573474740 /nfs/dbraw/zinc/47/47/40/573474740.db2.gz IECLSIAAZATMKO-RKDXNWHRSA-N 0 3 195.310 2.178 10 0 AEAEHN CSCC[C@H](N)c1ccc(C)o1 259100424 573475048 /nfs/dbraw/zinc/47/50/48/573475048.db2.gz JVHJFYUBOOGURV-QMMMGPOBSA-N 0 3 185.292 2.341 10 0 AEAEHN C[C@@H](N)c1[nH]ccc1C(F)(F)F 238412374 573475107 /nfs/dbraw/zinc/47/51/07/573475107.db2.gz NOVSDYHDROQQGM-SCSAIBSYSA-N 0 3 178.157 2.053 10 0 AEAEHN COc1c(C)cccc1[C@@](C)(F)CN 257818237 573475312 /nfs/dbraw/zinc/47/53/12/573475312.db2.gz CVMJQWJMTWCXLV-NSHDSACASA-N 0 3 197.253 2.147 10 0 AEAEHN CC[C@H](C)N[C@@H](C)c1cn(C)c(C)n1 308585578 573475481 /nfs/dbraw/zinc/47/54/81/573475481.db2.gz IECLSIAAZATMKO-IUCAKERBSA-N 0 3 195.310 2.178 10 0 AEAEHN COc1c(C)cccc1[C@](C)(F)CN 257818234 573475788 /nfs/dbraw/zinc/47/57/88/573475788.db2.gz CVMJQWJMTWCXLV-LLVKDONJSA-N 0 3 197.253 2.147 10 0 AEAEHN Cc1c[nH]c(NC2CCCCC2)n1 142254694 573475809 /nfs/dbraw/zinc/47/58/09/573475809.db2.gz KXWKJGUGWYYMSU-UHFFFAOYSA-N 0 3 179.267 2.463 10 0 AEAEHN Cc1ccc([C@@H]2CCC[C@H](O)N2)cc1 258667404 573475879 /nfs/dbraw/zinc/47/58/79/573475879.db2.gz MKEMEJLUZDJQAY-RYUDHWBXSA-N 0 3 191.274 2.128 10 0 AEAEHN Cc1ccc([C@@H]2CCC[C@@H](O)N2)cc1 258667402 573475895 /nfs/dbraw/zinc/47/58/95/573475895.db2.gz MKEMEJLUZDJQAY-NWDGAFQWSA-N 0 3 191.274 2.128 10 0 AEAEHN Fc1cccc([C@@H](F)[C@@H]2CCN2)c1 257820916 573479355 /nfs/dbraw/zinc/47/93/55/573479355.db2.gz FUWYEXUTOOGQEB-VHSXEESVSA-N 0 3 183.201 2.198 10 0 AEAEHN N[C@@H](c1nccc2ncccc12)C1CC1 238669610 573479411 /nfs/dbraw/zinc/47/94/11/573479411.db2.gz JIDYAOLJCDZREV-LLVKDONJSA-N 0 3 199.257 2.040 10 0 AEAEHN C[C@@H]1CCC[C@]1(N)c1nccs1 83394447 573479582 /nfs/dbraw/zinc/47/95/82/573479582.db2.gz WHEOJBCJJCJXIQ-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN Cc1csc([C@]2(N)CCC[C@H]2C)n1 83394434 573479866 /nfs/dbraw/zinc/47/98/66/573479866.db2.gz WUUZDVRCZDHXTI-XCBNKYQSSA-N 0 3 196.319 2.426 10 0 AEAEHN CCc1ccc2[nH]c(CN)cc2c1 107292342 573486060 /nfs/dbraw/zinc/48/60/60/573486060.db2.gz YVTSGKPYNBSBFT-UHFFFAOYSA-N 0 3 174.247 2.189 10 0 AEAEHN Cc1ccc(N(C)[C@H]2CCCN2)cc1 257820062 573486452 /nfs/dbraw/zinc/48/64/52/573486452.db2.gz FOUCNMCBSLSYSQ-LBPRGKRZSA-N 0 3 190.290 2.141 10 0 AEAEHN CN[C@H](C)[C@H](F)c1ccc(OC)cc1 257820070 573490871 /nfs/dbraw/zinc/49/08/71/573490871.db2.gz FPLCYBKUFQXWOT-KCJUWKMLSA-N 0 3 197.253 2.314 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1ccc(OC)cc1 257820069 573490963 /nfs/dbraw/zinc/49/09/63/573490963.db2.gz FPLCYBKUFQXWOT-GZMMTYOYSA-N 0 3 197.253 2.314 10 0 AEAEHN CCCCCc1nc(NC)[nH]c1C 258688658 573493987 /nfs/dbraw/zinc/49/39/87/573493987.db2.gz GIHRJGUDAYTLJG-UHFFFAOYSA-N 0 3 181.283 2.493 10 0 AEAEHN CCCCCc1[nH]c(NC)nc1C 258688658 573493993 /nfs/dbraw/zinc/49/39/93/573493993.db2.gz GIHRJGUDAYTLJG-UHFFFAOYSA-N 0 3 181.283 2.493 10 0 AEAEHN COc1ncc(C)cc1[C@@H](N)C(C)C 238408234 573494182 /nfs/dbraw/zinc/49/41/82/573494182.db2.gz AUPUYKURNKLRLX-JTQLQIEISA-N 0 3 194.278 2.054 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cccc(Cl)c1 86575885 573494242 /nfs/dbraw/zinc/49/42/42/573494242.db2.gz ZIZZJSHEIJZKJK-XCBNKYQSSA-N 0 3 199.681 2.375 10 0 AEAEHN CC(=O)CCNCc1ccc(C)cc1 258703572 573499872 /nfs/dbraw/zinc/49/98/72/573499872.db2.gz RRRNICSUZUPITI-UHFFFAOYSA-N 0 3 191.274 2.064 10 0 AEAEHN C[C@@H](N)c1cc(C(C)(C)C)ccn1 238417899 573500041 /nfs/dbraw/zinc/50/00/41/573500041.db2.gz VEPUMDDXHDMPBN-MRVPVSSYSA-N 0 3 178.279 2.399 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cccc(C)c1C 86576732 573500205 /nfs/dbraw/zinc/50/02/05/573500205.db2.gz YDHVRCAMLQWQJA-PWSUYJOCSA-N 0 3 193.290 2.338 10 0 AEAEHN Cc1cc(C(C)(C)[NH3+])cc([O-])c1F 258047827 573500217 /nfs/dbraw/zinc/50/02/17/573500217.db2.gz KKGSTIMILZRXAF-UHFFFAOYSA-N 0 3 183.226 2.034 10 0 AEAEHN CN[C@H](CC(C)=O)c1ccccc1F 259108962 573500303 /nfs/dbraw/zinc/50/03/03/573500303.db2.gz ATLKYKSXBQWQQH-LLVKDONJSA-N 0 3 195.237 2.065 10 0 AEAEHN NC1(c2ccc3cc[nH]c3c2F)CC1 258047606 573500558 /nfs/dbraw/zinc/50/05/58/573500558.db2.gz KGHMANPACFNLKN-UHFFFAOYSA-N 0 3 190.221 2.255 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1ccc(C)s1 86577063 573500674 /nfs/dbraw/zinc/50/06/74/573500674.db2.gz LYKPHVAADLSFRT-CBAPKCEASA-N 0 3 185.292 2.091 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1ccc(C)c(C)c1 86576705 573500696 /nfs/dbraw/zinc/50/06/96/573500696.db2.gz QNZJUOFNAGTQEO-ZYHUDNBSSA-N 0 3 193.290 2.338 10 0 AEAEHN CN[C@@H](CC(C)=O)c1ccccc1F 259108965 573500764 /nfs/dbraw/zinc/50/07/64/573500764.db2.gz ATLKYKSXBQWQQH-NSHDSACASA-N 0 3 195.237 2.065 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cccc(C)c1 86576300 573500797 /nfs/dbraw/zinc/50/07/97/573500797.db2.gz ZTCAJTIQRZWLDE-KOLCDFICSA-N 0 3 179.263 2.030 10 0 AEAEHN CO[C@@H](C)[C@H](N)c1cc(F)ccc1C 86576787 573500973 /nfs/dbraw/zinc/50/09/73/573500973.db2.gz ADBSRMADPGJDKE-KWQFWETISA-N 0 3 197.253 2.169 10 0 AEAEHN Nc1ccc(CNC2CC2)c(Cl)c1 258046959 573501077 /nfs/dbraw/zinc/50/10/77/573501077.db2.gz FBZZSUSHRSKSPF-UHFFFAOYSA-N 0 3 196.681 2.174 10 0 AEAEHN CCCN[C@H](C)c1cn(C)c(CC)n1 308602526 573509222 /nfs/dbraw/zinc/50/92/22/573509222.db2.gz VJJKPQUVYONSBX-SECBINFHSA-N 0 3 195.310 2.043 10 0 AEAEHN C/C=C\CNCc1ncccc1CC 308400168 573509272 /nfs/dbraw/zinc/50/92/72/573509272.db2.gz IQOXGPYKSSETKA-HYXAFXHYSA-N 0 3 190.290 2.310 10 0 AEAEHN CC(=O)C[C@H](N)c1sccc1C 259484396 573519173 /nfs/dbraw/zinc/51/91/73/573519173.db2.gz PVSGNQVRQKXQLE-QMMMGPOBSA-N 0 3 183.276 2.035 10 0 AEAEHN C[C@H]1CNC[C@@]2(C[C@H](C)CC[C@@H]2C)O1 83471931 573519556 /nfs/dbraw/zinc/51/95/56/573519556.db2.gz YTEDFLQRONMGBG-NOOOWODRSA-N 0 3 197.322 2.190 10 0 AEAEHN CC[C@H]1CNCC2(CCCCCC2)O1 83470820 573519661 /nfs/dbraw/zinc/51/96/61/573519661.db2.gz GOIDYNYBLDHNFA-NSHDSACASA-N 0 3 197.322 2.478 10 0 AEAEHN CC[C@@H]1CCC[C@@]2(CC1)CNCCO2 83471443 573519685 /nfs/dbraw/zinc/51/96/85/573519685.db2.gz NCJXYBFRRJUPTL-VXGBXAGGSA-N 0 3 197.322 2.335 10 0 AEAEHN CCc1ccc([C@H](F)CNC)cc1 257828347 573532173 /nfs/dbraw/zinc/53/21/73/573532173.db2.gz IIXHQOHUGDAXAO-LLVKDONJSA-N 0 3 181.254 2.479 10 0 AEAEHN Cc1ccccc1-c1conc1CN 257829295 573536848 /nfs/dbraw/zinc/53/68/48/573536848.db2.gz ITWRZHQKYSNZLR-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CN[C@@H](C)[C@H](F)Cc1ccc(F)cc1 257829556 573537237 /nfs/dbraw/zinc/53/72/37/573537237.db2.gz GWGUHQGUPAMWHX-GZMMTYOYSA-N 0 3 199.244 2.314 10 0 AEAEHN Fc1ccccc1[C@@H](F)[C@@H]1CCN1 257829474 573538025 /nfs/dbraw/zinc/53/80/25/573538025.db2.gz IXNOHEUZUWCWPA-VHSXEESVSA-N 0 3 183.201 2.198 10 0 AEAEHN Fc1ccccc1[C@@H](F)[C@H]1CCN1 257829472 573538066 /nfs/dbraw/zinc/53/80/66/573538066.db2.gz IXNOHEUZUWCWPA-NXEZZACHSA-N 0 3 183.201 2.198 10 0 AEAEHN CN[C@@H](C)[C@@H](F)Cc1ccc(F)cc1 257829558 573538162 /nfs/dbraw/zinc/53/81/62/573538162.db2.gz GWGUHQGUPAMWHX-KWQFWETISA-N 0 3 199.244 2.314 10 0 AEAEHN COc1c(O)cccc1[C@@H](N)C(C)C 238436409 573546698 /nfs/dbraw/zinc/54/66/98/573546698.db2.gz KNICLAOUXFKDPP-JTQLQIEISA-N 0 3 195.262 2.057 10 0 AEAEHN CCc1cc([C@H](C)NC)nn1C(C)C 257826223 573549606 /nfs/dbraw/zinc/54/96/06/573549606.db2.gz HLVKOSRUIIPKDI-VIFPVBQESA-N 0 3 195.310 2.307 10 0 AEAEHN NC[C@H](F)Sc1ccccc1 197393032 573549792 /nfs/dbraw/zinc/54/97/92/573549792.db2.gz PZGSPSATZQNASI-MRVPVSSYSA-N 0 3 171.240 2.033 10 0 AEAEHN Cc1ccc(N[C@H]2CCCN2)cc1 257826038 573549831 /nfs/dbraw/zinc/54/98/31/573549831.db2.gz HKOKHRSDDHFKSX-NSHDSACASA-N 0 3 176.263 2.116 10 0 AEAEHN COc1c(O)cccc1[C@H](N)C(C)C 238436821 573549839 /nfs/dbraw/zinc/54/98/39/573549839.db2.gz KNICLAOUXFKDPP-SNVBAGLBSA-N 0 3 195.262 2.057 10 0 AEAEHN NC[C@@H](F)Sc1ccccc1 197393020 573549976 /nfs/dbraw/zinc/54/99/76/573549976.db2.gz PZGSPSATZQNASI-QMMMGPOBSA-N 0 3 171.240 2.033 10 0 AEAEHN CCc1cc([C@@H](C)NC)nn1C(C)C 257826222 573550059 /nfs/dbraw/zinc/55/00/59/573550059.db2.gz HLVKOSRUIIPKDI-SECBINFHSA-N 0 3 195.310 2.307 10 0 AEAEHN C[C@H](c1cc(N)ccc1F)N(C)C 257826030 573550173 /nfs/dbraw/zinc/55/01/73/573550173.db2.gz HJUAFIBFJWSKLX-SSDOTTSWSA-N 0 3 182.242 2.031 10 0 AEAEHN Cc1cccc(C[C@H](F)[C@H](C)N)c1 257826472 573554882 /nfs/dbraw/zinc/55/48/82/573554882.db2.gz HNFLCBAAAODWPH-ONGXEEELSA-N 0 3 181.254 2.223 10 0 AEAEHN Cc1cccc(C[C@@H](F)[C@H](C)N)c1 257826469 573555187 /nfs/dbraw/zinc/55/51/87/573555187.db2.gz HNFLCBAAAODWPH-GXSJLCMTSA-N 0 3 181.254 2.223 10 0 AEAEHN Cc1cccc(C[C@@H](F)[C@@H](C)N)c1 257826471 573555271 /nfs/dbraw/zinc/55/52/71/573555271.db2.gz HNFLCBAAAODWPH-MWLCHTKSSA-N 0 3 181.254 2.223 10 0 AEAEHN COc1ccc2cnc(C(C)C)n2c1 258060028 573555403 /nfs/dbraw/zinc/55/54/03/573555403.db2.gz UMBGAGADSQRMDZ-UHFFFAOYSA-N 0 3 190.246 2.466 10 0 AEAEHN N[C@H](CC1CC1)c1ncccc1F 83574317 573559950 /nfs/dbraw/zinc/55/99/50/573559950.db2.gz JNOWMDMLPSZBEI-SECBINFHSA-N 0 3 180.226 2.021 10 0 AEAEHN CCCN[C@@H](CCC)c1ccn(C)n1 83574159 573559972 /nfs/dbraw/zinc/55/99/72/573559972.db2.gz QNRVQIHRIMBLNW-JTQLQIEISA-N 0 3 195.310 2.261 10 0 AEAEHN CC[C@H](C)Nc1ccccc1CN 86679542 573560026 /nfs/dbraw/zinc/56/00/26/573560026.db2.gz VYXWXWULHQOSNX-VIFPVBQESA-N 0 3 178.279 2.356 10 0 AEAEHN CCC[C@H](N)c1ccncc1F 83574335 573560129 /nfs/dbraw/zinc/56/01/29/573560129.db2.gz LKFRKBCLSVJZGD-VIFPVBQESA-N 0 3 168.215 2.021 10 0 AEAEHN COc1ccccc1[C@H](F)[C@H]1CCN1 257831535 573565337 /nfs/dbraw/zinc/56/53/37/573565337.db2.gz JLECPFAILICHQA-KOLCDFICSA-N 0 3 195.237 2.068 10 0 AEAEHN Nc1ccc(CNC2CCC2)c(F)c1 236357461 573565396 /nfs/dbraw/zinc/56/53/96/573565396.db2.gz XDHOUFPZLWEAHH-UHFFFAOYSA-N 0 3 194.253 2.050 10 0 AEAEHN Cc1ccc(SC[C@H](F)CN)cc1 257831701 573565550 /nfs/dbraw/zinc/56/55/50/573565550.db2.gz HQMGUUZKFSQZGJ-SECBINFHSA-N 0 3 199.294 2.384 10 0 AEAEHN CCc1cc([C@@H](C)N)nn1C(C)(C)C 257831433 573565578 /nfs/dbraw/zinc/56/55/78/573565578.db2.gz JKBHWLRTDYNMPH-MRVPVSSYSA-N 0 3 195.310 2.220 10 0 AEAEHN CN[C@@H](C)c1onc2ccccc12 257831506 573565777 /nfs/dbraw/zinc/56/57/77/573565777.db2.gz JRNQXJAFPIKMLQ-ZETCQYMHSA-N 0 3 176.219 2.108 10 0 AEAEHN c1cc2c(o1)CC[C@H]2NC1CC1 107401368 573565844 /nfs/dbraw/zinc/56/58/44/573565844.db2.gz NSCCBAJMZHGMBJ-SECBINFHSA-N 0 3 163.220 2.019 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1cccc(OC)c1 257831955 573568388 /nfs/dbraw/zinc/56/83/88/573568388.db2.gz JQAATLKASBQVQJ-GZMMTYOYSA-N 0 3 197.253 2.314 10 0 AEAEHN Cc1ccc(-c2oncc2CN)s1 83618092 573568556 /nfs/dbraw/zinc/56/85/56/573568556.db2.gz OLZKKZKYZNTXDL-UHFFFAOYSA-N 0 3 194.259 2.170 10 0 AEAEHN c1occ2c1CC[C@@H]2NC1CC1 107401365 573568737 /nfs/dbraw/zinc/56/87/37/573568737.db2.gz PDKPJKWYTZNIFX-JTQLQIEISA-N 0 3 163.220 2.019 10 0 AEAEHN c1cc2c(o1)CC[C@@H]2NC1CC1 107401370 573568749 /nfs/dbraw/zinc/56/87/49/573568749.db2.gz NSCCBAJMZHGMBJ-VIFPVBQESA-N 0 3 163.220 2.019 10 0 AEAEHN NCc1cnoc1C1CCCCC1 83618082 573569008 /nfs/dbraw/zinc/56/90/08/573569008.db2.gz XYUVKKCLJGUDAZ-UHFFFAOYSA-N 0 3 180.251 2.181 10 0 AEAEHN CN[C@H](CCCCF)c1ccccn1 308624538 573570206 /nfs/dbraw/zinc/57/02/06/573570206.db2.gz VLDSYSZRYFRTPF-SNVBAGLBSA-N 0 3 196.269 2.482 10 0 AEAEHN CNCc1cnoc1C1CCCC1 83630974 573573528 /nfs/dbraw/zinc/57/35/28/573573528.db2.gz JMNLUDAKSYFOCJ-UHFFFAOYSA-N 0 3 180.251 2.052 10 0 AEAEHN CN[C@H]1CCCc2cc(C)oc21 107402212 573573622 /nfs/dbraw/zinc/57/36/22/573573622.db2.gz OUDNGZPCXWGSGC-VIFPVBQESA-N 0 3 165.236 2.185 10 0 AEAEHN CCO[C@@H]1C[C@@H]1NCc1ccsc1 308401247 573576990 /nfs/dbraw/zinc/57/69/90/573576990.db2.gz HDZABCVJUSBUHD-VHSXEESVSA-N 0 3 197.303 2.015 10 0 AEAEHN CO[C@H](C)[C@H](N)c1cc(C)cc(F)c1 86693728 573577192 /nfs/dbraw/zinc/57/71/92/573577192.db2.gz MUHRWEXULQENMS-KCJUWKMLSA-N 0 3 197.253 2.169 10 0 AEAEHN C[C@H](O)c1cnccc1NC(C)(C)C 238444569 573577251 /nfs/dbraw/zinc/57/72/51/573577251.db2.gz ZQKYDKCRJPMTEF-QMMMGPOBSA-N 0 3 194.278 2.345 10 0 AEAEHN N[C@@H](CC1CC1)c1ccc(F)cn1 78677796 573577457 /nfs/dbraw/zinc/57/74/57/573577457.db2.gz OABFNASYUBMJOH-VIFPVBQESA-N 0 3 180.226 2.021 10 0 AEAEHN COc1sccc1[C@@H](N)C(C)C 238441781 573584319 /nfs/dbraw/zinc/58/43/19/573584319.db2.gz QRBJSCZBVXEXPR-QMMMGPOBSA-N 0 3 185.292 2.413 10 0 AEAEHN CCN[C@@H](CC)c1ccc(F)cn1 86705860 573583691 /nfs/dbraw/zinc/58/36/91/573583691.db2.gz WHPIUXUAWPMQBU-VIFPVBQESA-N 0 3 182.242 2.281 10 0 AEAEHN Cc1c(Cl)c2ccccn2c1CN 259517906 573583703 /nfs/dbraw/zinc/58/37/03/573583703.db2.gz POAKULQRHAHPIX-UHFFFAOYSA-N 0 3 194.665 2.360 10 0 AEAEHN Cc1nccc([C@@H](C)NCC(C)C)n1 308639609 573583788 /nfs/dbraw/zinc/58/37/88/573583788.db2.gz DJKHZNWQOVABGU-SECBINFHSA-N 0 3 193.294 2.092 10 0 AEAEHN CC[C@@H](C)[C@@H](N)c1ccc(F)cn1 86705622 573583873 /nfs/dbraw/zinc/58/38/73/573583873.db2.gz NZWPTJOGIHGJEK-GMSGAONNSA-N 0 3 182.242 2.267 10 0 AEAEHN N[C@@H](c1ccc(F)cn1)C1CCCC1 86705499 573583921 /nfs/dbraw/zinc/58/39/21/573583921.db2.gz KFCOKDNOTCQFRT-LLVKDONJSA-N 0 3 194.253 2.411 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1ccc(F)cn1 86707607 573584105 /nfs/dbraw/zinc/58/41/05/573584105.db2.gz RLUCMZBYAZULPF-KWQFWETISA-N 0 3 194.253 2.195 10 0 AEAEHN CCN[C@H](c1ccc(F)cn1)C1CC1 86705938 573585961 /nfs/dbraw/zinc/58/59/61/573585961.db2.gz UWCSAAVRJVNVRL-NSHDSACASA-N 0 3 194.253 2.281 10 0 AEAEHN C[C@H]1CNc2ccc(Cl)cc2CN1 144451448 573585973 /nfs/dbraw/zinc/58/59/73/573585973.db2.gz MWFJEZUKLLYLQP-ZETCQYMHSA-N 0 3 196.681 2.244 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1ccc(F)cn1 86705625 573586038 /nfs/dbraw/zinc/58/60/38/573586038.db2.gz NZWPTJOGIHGJEK-OIBJUYFYSA-N 0 3 182.242 2.267 10 0 AEAEHN CCC[C@H]1C[C@]1(N)c1ccc(F)cn1 86707602 573586172 /nfs/dbraw/zinc/58/61/72/573586172.db2.gz RLUCMZBYAZULPF-GZMMTYOYSA-N 0 3 194.253 2.195 10 0 AEAEHN CC[C@H](C)NCc1cc(N)ccc1F 308638808 573586250 /nfs/dbraw/zinc/58/62/50/573586250.db2.gz CBYSYRFOSWLBEQ-QMMMGPOBSA-N 0 3 196.269 2.296 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccc(F)cn1 86705473 573586354 /nfs/dbraw/zinc/58/63/54/573586354.db2.gz WPRXXGZKFVDYPB-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN COc1sccc1[C@@H](N)C1CC1 238441843 573586393 /nfs/dbraw/zinc/58/63/93/573586393.db2.gz VWJXMDBSCQVRJB-QMMMGPOBSA-N 0 3 183.276 2.167 10 0 AEAEHN CNCN(C)CCC1CCCCC1 258806328 573586433 /nfs/dbraw/zinc/58/64/33/573586433.db2.gz DVWMOBGZTFPPIY-UHFFFAOYSA-N 0 3 184.327 2.066 10 0 AEAEHN COc1ccc([C@H](F)[C@@H]2CCN2)cc1 257833674 573587424 /nfs/dbraw/zinc/58/74/24/573587424.db2.gz KBQGARCOAOJZER-QWRGUYRKSA-N 0 3 195.237 2.068 10 0 AEAEHN COc1sccc1[C@H](N)C1CC1 238442068 573587456 /nfs/dbraw/zinc/58/74/56/573587456.db2.gz VWJXMDBSCQVRJB-MRVPVSSYSA-N 0 3 183.276 2.167 10 0 AEAEHN CC(C)[C@@H](N)c1n[nH]c2ccccc12 107419734 573587488 /nfs/dbraw/zinc/58/74/88/573587488.db2.gz FVRXGYKBRNGTGI-SNVBAGLBSA-N 0 3 189.262 2.219 10 0 AEAEHN CCCCC/C=C\C1=NC1C(=O)OC 215282870 573587891 /nfs/dbraw/zinc/58/78/91/573587891.db2.gz RWDQVIKEEWJCCM-DMEOUFDRSA-N 0 3 195.262 2.119 10 0 AEAEHN C[C@@H]1Sc2cc(F)ccc2[C@@H]1N 107415665 573587901 /nfs/dbraw/zinc/58/79/01/573587901.db2.gz AYIYUPFIEZFXGM-SSDLBLMSSA-N 0 3 183.251 2.320 10 0 AEAEHN CC(C)[C@H](N)c1n[nH]c2ccccc12 107419729 573588029 /nfs/dbraw/zinc/58/80/29/573588029.db2.gz FVRXGYKBRNGTGI-JTQLQIEISA-N 0 3 189.262 2.219 10 0 AEAEHN CC(C)c1ccc(N(C)C)c(CN)c1 259521301 573590659 /nfs/dbraw/zinc/59/06/59/573590659.db2.gz SOKBGIJMDUSTDY-UHFFFAOYSA-N 0 3 192.306 2.335 10 0 AEAEHN CN[C@H]1c2c(F)ccc(F)c2C[C@H]1C 86718928 573590680 /nfs/dbraw/zinc/59/06/80/573590680.db2.gz DNGFGJHUMBPWGY-KSBSHMNSSA-N 0 3 197.228 2.418 10 0 AEAEHN CN[C@H]1c2c(F)ccc(F)c2C[C@@H]1C 86718929 573590731 /nfs/dbraw/zinc/59/07/31/573590731.db2.gz DNGFGJHUMBPWGY-UPONEAKYSA-N 0 3 197.228 2.418 10 0 AEAEHN CC(=O)[C@H](C)N1CCCC(C)(C)CC1 83680764 573592521 /nfs/dbraw/zinc/59/25/21/573592521.db2.gz PHEGMENWZQXAOF-JTQLQIEISA-N 0 3 197.322 2.476 10 0 AEAEHN C[C@H]1CNc2c(CN)cccc2S1 259135281 573593967 /nfs/dbraw/zinc/59/39/67/573593967.db2.gz GXANPKRPIRDLFA-ZETCQYMHSA-N 0 3 194.303 2.051 10 0 AEAEHN C[C@@H]1CNc2c(CN)cccc2S1 259135273 573594012 /nfs/dbraw/zinc/59/40/12/573594012.db2.gz GXANPKRPIRDLFA-SSDOTTSWSA-N 0 3 194.303 2.051 10 0 AEAEHN CC[C@H]1C[C@H]1NCc1ccc(F)nc1 308631919 573594241 /nfs/dbraw/zinc/59/42/41/573594241.db2.gz ZGTGWVYNWWHKQF-VHSXEESVSA-N 0 3 194.253 2.109 10 0 AEAEHN CC[C@@H]1C[C@H]1NCc1ccc(F)nc1 308631917 573594269 /nfs/dbraw/zinc/59/42/69/573594269.db2.gz ZGTGWVYNWWHKQF-NXEZZACHSA-N 0 3 194.253 2.109 10 0 AEAEHN CC[C@@H]1C[C@@H]1NCc1ccc(F)nc1 308631920 573594463 /nfs/dbraw/zinc/59/44/63/573594463.db2.gz ZGTGWVYNWWHKQF-ZJUUUORDSA-N 0 3 194.253 2.109 10 0 AEAEHN C[C@H]1CCC[C@@]12CC(=O)CC(C)(C)N2 238455287 573594470 /nfs/dbraw/zinc/59/44/70/573594470.db2.gz DUILMUALILHNIF-JOYOIKCWSA-N 0 3 195.306 2.276 10 0 AEAEHN CC[C@H]1C[C@@H]1NCc1ccc(F)nc1 308631918 573594642 /nfs/dbraw/zinc/59/46/42/573594642.db2.gz ZGTGWVYNWWHKQF-UWVGGRQHSA-N 0 3 194.253 2.109 10 0 AEAEHN N[C@@H](c1cccc(F)c1)[C@H]1CCCO1 83712092 573598076 /nfs/dbraw/zinc/59/80/76/573598076.db2.gz JONHNRDFXVKRTO-MNOVXSKESA-N 0 3 195.237 2.005 10 0 AEAEHN C[C@@H](CF)NCCc1ccccc1F 308646132 573598136 /nfs/dbraw/zinc/59/81/36/573598136.db2.gz HPXAXQUMJOLWIO-VIFPVBQESA-N 0 3 199.244 2.316 10 0 AEAEHN Cc1cc([C@H](N)[C@@H]2CCCO2)cs1 83712739 573598310 /nfs/dbraw/zinc/59/83/10/573598310.db2.gz XIGYPURAPIGWKI-UWVGGRQHSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1cc([C@@H](N)[C@@H]2CCCO2)cs1 83712741 573598459 /nfs/dbraw/zinc/59/84/59/573598459.db2.gz XIGYPURAPIGWKI-VHSXEESVSA-N 0 3 197.303 2.235 10 0 AEAEHN Cc1ccccc1[C@H](N)[C@H]1CCCO1 83712183 573598583 /nfs/dbraw/zinc/59/85/83/573598583.db2.gz NMTCTBZXDRUXAQ-NEPJUHHUSA-N 0 3 191.274 2.174 10 0 AEAEHN NC1([C@H](F)Cc2ccc(F)cc2)CC1 257835987 573598666 /nfs/dbraw/zinc/59/86/66/573598666.db2.gz KRSXHPXJTZERRG-SNVBAGLBSA-N 0 3 197.228 2.198 10 0 AEAEHN Cc1cccc([C@@H](N)[C@H]2CCCO2)c1 83711989 573598754 /nfs/dbraw/zinc/59/87/54/573598754.db2.gz SOHBOEHGBMYHKP-VXGBXAGGSA-N 0 3 191.274 2.174 10 0 AEAEHN C[C@H]1CN[C@H]1c1cc(F)ccc1F 259140308 573602174 /nfs/dbraw/zinc/60/21/74/573602174.db2.gz JUQMARSLOQGKAB-QUBYGPBYSA-N 0 3 183.201 2.245 10 0 AEAEHN Cc1cccc(S[C@@H](C)N)c1 259140711 573602356 /nfs/dbraw/zinc/60/23/56/573602356.db2.gz DSCHSUONTIWRBQ-QMMMGPOBSA-N 0 3 167.277 2.392 10 0 AEAEHN CNC1(c2cccc(F)c2)CC(F)C1 257836573 573602362 /nfs/dbraw/zinc/60/23/62/573602362.db2.gz KUZSWULSHAWJFR-UHFFFAOYSA-N 0 3 197.228 2.372 10 0 AEAEHN Cc1noc(C)c1C1(N)CCCC1 82396444 573602524 /nfs/dbraw/zinc/60/25/24/573602524.db2.gz YAWMJOUJCULXHR-UHFFFAOYSA-N 0 3 180.251 2.019 10 0 AEAEHN CC(C)[C@@H](NCCF)c1ccncc1 308647941 573602583 /nfs/dbraw/zinc/60/25/83/573602583.db2.gz ISOCPIPYEPGBOM-LLVKDONJSA-N 0 3 196.269 2.338 10 0 AEAEHN C[C@@H](N)c1c(C2CCCC2)cnn1C 257837170 573607132 /nfs/dbraw/zinc/60/71/32/573607132.db2.gz MKTXNRWBCVDAHZ-MRVPVSSYSA-N 0 3 193.294 2.097 10 0 AEAEHN C[C@H]1C=C[C@H](N)c2ccccc21 75544108 573607402 /nfs/dbraw/zinc/60/74/02/573607402.db2.gz OYQBNWVMHLODNO-KWQFWETISA-N 0 3 159.232 2.360 10 0 AEAEHN Cc1ccc([C@H](N)[C@H]2CCO[C@@H]2C)o1 86757255 573607474 /nfs/dbraw/zinc/60/74/74/573607474.db2.gz UPDGWBNEQVSSPV-WCABBAIRSA-N 0 3 195.262 2.013 10 0 AEAEHN COc1c(F)ccc2c1[C@H](N)CCC2 238448176 573609921 /nfs/dbraw/zinc/60/99/21/573609921.db2.gz SJWYDZXHHUJRTK-SECBINFHSA-N 0 3 195.237 2.170 10 0 AEAEHN CN[C@@H](C)[C@@H](F)c1ccccc1F 257837102 573610066 /nfs/dbraw/zinc/61/00/66/573610066.db2.gz LIBMWYQMGTXCMM-OIBJUYFYSA-N 0 3 185.217 2.444 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1ccccc1F 257837101 573610239 /nfs/dbraw/zinc/61/02/39/573610239.db2.gz LIBMWYQMGTXCMM-GMSGAONNSA-N 0 3 185.217 2.444 10 0 AEAEHN C[C@H]1C=C[C@@H](N)c2ccccc21 75544115 573610268 /nfs/dbraw/zinc/61/02/68/573610268.db2.gz OYQBNWVMHLODNO-GZMMTYOYSA-N 0 3 159.232 2.360 10 0 AEAEHN CC(=O)CCC1=CCCN(C(C)C)C1 258068481 573610290 /nfs/dbraw/zinc/61/02/90/573610290.db2.gz MCQQIIIXNKRISX-UHFFFAOYSA-N 0 3 195.306 2.396 10 0 AEAEHN Cc1cc(O)cc(C2(N)CCC2)c1F 258067459 573610364 /nfs/dbraw/zinc/61/03/64/573610364.db2.gz LZBYKGYELXQUBX-UHFFFAOYSA-N 0 3 195.237 2.178 10 0 AEAEHN CCCCCNc1nccn1C 50605656 573611141 /nfs/dbraw/zinc/61/11/41/573611141.db2.gz FKCKNQHNNSVLSZ-UHFFFAOYSA-N 0 3 167.256 2.022 10 0 AEAEHN CCCCNc1nccn1CC 50608264 573611193 /nfs/dbraw/zinc/61/11/93/573611193.db2.gz CMHGMTPVQIOUQC-UHFFFAOYSA-N 0 3 167.256 2.115 10 0 AEAEHN NC1(SC2CCCC2)CC1 259125819 573611197 /nfs/dbraw/zinc/61/11/97/573611197.db2.gz CJGOFMNKXGFZAM-UHFFFAOYSA-N 0 3 157.282 2.111 10 0 AEAEHN CC(C)(N)c1cc2ccccc2cn1 142786600 573611568 /nfs/dbraw/zinc/61/15/68/573611568.db2.gz GSSDETHCSWIUGF-UHFFFAOYSA-N 0 3 186.258 2.429 10 0 AEAEHN CC1(Oc2ccccc2Cl)CNC1 257837485 573611581 /nfs/dbraw/zinc/61/15/81/573611581.db2.gz ARTBOQMHTXNUHS-UHFFFAOYSA-N 0 3 197.665 2.081 10 0 AEAEHN Cc1oncc1[C@H](C)NC[C@@H]1C[C@@H]1C 308643719 573622419 /nfs/dbraw/zinc/62/24/19/573622419.db2.gz GGHLGCLAQZCZLQ-NRPADANISA-N 0 3 194.278 2.290 10 0 AEAEHN CNC[C@@](C)(F)c1ccccc1F 257834039 573622571 /nfs/dbraw/zinc/62/25/71/573622571.db2.gz LFEWEDFQYPABGQ-SNVBAGLBSA-N 0 3 185.217 2.230 10 0 AEAEHN CNC[C@H](F)c1ccc(Cl)o1 257834035 573622639 /nfs/dbraw/zinc/62/26/39/573622639.db2.gz LEXLAGDZEZFHFK-YFKPBYRVSA-N 0 3 177.606 2.163 10 0 AEAEHN Nc1ccncc1CNc1ccccc1 257834382 573628902 /nfs/dbraw/zinc/62/89/02/573628902.db2.gz IGDAEKDYLYDYID-UHFFFAOYSA-N 0 3 199.257 2.276 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1cccc(F)c1 257834265 573629210 /nfs/dbraw/zinc/62/92/10/573629210.db2.gz KREOUTAWJNSXBG-XVKPBYJWSA-N 0 3 185.217 2.444 10 0 AEAEHN CCN(C)c1ccc2nc(C)[nH]c2c1 259132090 573629270 /nfs/dbraw/zinc/62/92/70/573629270.db2.gz QONUHOSWXRHJGJ-UHFFFAOYSA-N 0 3 189.262 2.327 10 0 AEAEHN CCc1cccnc1[C@@H](N)C1CC1 96554677 573632144 /nfs/dbraw/zinc/63/21/44/573632144.db2.gz ZQOPJUOUSGETIW-JTQLQIEISA-N 0 3 176.263 2.054 10 0 AEAEHN CCn1c(CN)cc2cc(F)ccc21 257834620 573632545 /nfs/dbraw/zinc/63/25/45/573632545.db2.gz AHERJGALJDCCJQ-UHFFFAOYSA-N 0 3 192.237 2.259 10 0 AEAEHN CN[C@H]1c2cc(F)ccc2OC[C@H]1C 35753458 573638953 /nfs/dbraw/zinc/63/89/53/573638953.db2.gz ZDNMRSHCMCNMPF-RDDDGLTNSA-N 0 3 195.237 2.115 10 0 AEAEHN CNCc1sc([C@@H]2C[C@@H]2C)nc1C 83810319 573655856 /nfs/dbraw/zinc/65/58/56/573655856.db2.gz NLHJKGFYVCJVFT-POYBYMJQSA-N 0 3 196.319 2.294 10 0 AEAEHN CNCc1sc([C@@H]2C[C@H]2C)nc1C 83810321 573655892 /nfs/dbraw/zinc/65/58/92/573655892.db2.gz NLHJKGFYVCJVFT-HTRCEHHLSA-N 0 3 196.319 2.294 10 0 AEAEHN Cc1nc([C@@H]2C[C@@H]2C)sc1CN 83810313 573656079 /nfs/dbraw/zinc/65/60/79/573656079.db2.gz VLWUTAQAMUACES-CAHLUQPWSA-N 0 3 182.292 2.034 10 0 AEAEHN CNCc1cc(C(C)C)n(C(C)C)n1 257841276 573656112 /nfs/dbraw/zinc/65/61/12/573656112.db2.gz MFYAUNLXCMEQNF-UHFFFAOYSA-N 0 3 195.310 2.307 10 0 AEAEHN CNC1=Cc2ccccc2CC1 224490113 573656504 /nfs/dbraw/zinc/65/65/04/573656504.db2.gz VEGXKECZANLRKL-UHFFFAOYSA-N 0 3 159.232 2.193 10 0 AEAEHN CNC[C@](C)(F)c1ccc(OC)cc1 257841778 573656612 /nfs/dbraw/zinc/65/66/12/573656612.db2.gz OLXSBWYXUWICLK-NSHDSACASA-N 0 3 197.253 2.099 10 0 AEAEHN CC[C@H](C)O[C@@H](CN)c1ccco1 43337858 573656737 /nfs/dbraw/zinc/65/67/37/573656737.db2.gz CTYWSMJYSVNCFI-WPRPVWTQSA-N 0 3 183.251 2.095 10 0 AEAEHN Cc1nc([C@H]2C[C@H]2C)sc1CN 83810318 573656813 /nfs/dbraw/zinc/65/68/13/573656813.db2.gz VLWUTAQAMUACES-VDTYLAMSSA-N 0 3 182.292 2.034 10 0 AEAEHN N[C@@H]1CCn2c1cc1ccc(F)cc12 257841759 573656914 /nfs/dbraw/zinc/65/69/14/573656914.db2.gz MLRFGISVQMJKDN-SECBINFHSA-N 0 3 190.221 2.184 10 0 AEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)OC1 258849721 573657000 /nfs/dbraw/zinc/65/70/00/573657000.db2.gz ZWQBRFZEVBIHMM-PWSUYJOCSA-N 0 3 191.274 2.115 10 0 AEAEHN Cc1ncc(CN)c(C(F)F)c1C 238471297 573656295 /nfs/dbraw/zinc/65/62/95/573656295.db2.gz WFHVXWVWEDZJCZ-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CC(C)C[C@]1(C)NCCS1 83823431 573664256 /nfs/dbraw/zinc/66/42/56/573664256.db2.gz QCWJLAHDNKXFIQ-MRVPVSSYSA-N 0 3 159.298 2.085 10 0 AEAEHN CCc1cccc([C@@H](F)CNC)c1 257843752 573664261 /nfs/dbraw/zinc/66/42/61/573664261.db2.gz PBVLFMHQQAZKMQ-NSHDSACASA-N 0 3 181.254 2.479 10 0 AEAEHN CCCCc1nc(NC)[nH]c1C 258859410 573663558 /nfs/dbraw/zinc/66/35/58/573663558.db2.gz RCKXFVLQQVVHEN-UHFFFAOYSA-N 0 3 167.256 2.102 10 0 AEAEHN CCCCc1[nH]c(NC)nc1C 258859410 573663561 /nfs/dbraw/zinc/66/35/61/573663561.db2.gz RCKXFVLQQVVHEN-UHFFFAOYSA-N 0 3 167.256 2.102 10 0 AEAEHN CC[C@H]1N[C@H](C)Cc2ccc(O)cc21 107850333 573663683 /nfs/dbraw/zinc/66/36/83/573663683.db2.gz BIPQOEXBDANPFL-PRHODGIISA-N 0 3 191.274 2.378 10 0 AEAEHN CC[C@@H]1N[C@@H](C)Cc2ccncc21 107851407 573663826 /nfs/dbraw/zinc/66/38/26/573663826.db2.gz WXLNBJQFSDHOCY-KWQFWETISA-N 0 3 176.263 2.067 10 0 AEAEHN C[C@@H]1CN[C@@H](Cc2ccccc2)S1 83824047 573663827 /nfs/dbraw/zinc/66/38/27/573663827.db2.gz OXYVYBWZKJSAMV-MWLCHTKSSA-N 0 3 193.315 2.280 10 0 AEAEHN C[C@@H]1Cc2ncccc2[C@H](C2CC2)N1 107850991 573663929 /nfs/dbraw/zinc/66/39/29/573663929.db2.gz ZLFBBXGWZKKNAU-PELKAZGASA-N 0 3 188.274 2.067 10 0 AEAEHN C[C@@H]1CS[C@@H](C(C)(C)C)N1 83823642 573664046 /nfs/dbraw/zinc/66/40/46/573664046.db2.gz VFFFHLRFKDKXEL-RQJHMYQMSA-N 0 3 159.298 2.084 10 0 AEAEHN CCCCO[C@@H](CN)c1ccc(C)o1 43366923 573664087 /nfs/dbraw/zinc/66/40/87/573664087.db2.gz ZFCYVMLXUKFRAW-NSHDSACASA-N 0 3 197.278 2.405 10 0 AEAEHN CN(C[C@H]1CCC(C)(C)C1=O)C1CC1 86870784 573664214 /nfs/dbraw/zinc/66/42/14/573664214.db2.gz NXZTVPYXYCOLQX-SECBINFHSA-N 0 3 195.306 2.086 10 0 AEAEHN CCCCO[C@H](CN)c1ccc(C)o1 43366924 573668596 /nfs/dbraw/zinc/66/85/96/573668596.db2.gz ZFCYVMLXUKFRAW-LLVKDONJSA-N 0 3 197.278 2.405 10 0 AEAEHN CC(C)CN1CCC(=O)CC1(C)C 258859132 573668696 /nfs/dbraw/zinc/66/86/96/573668696.db2.gz RAQHKCNSRIPIBW-UHFFFAOYSA-N 0 3 183.295 2.086 10 0 AEAEHN CC[C@H]1N[C@@H](C)Cc2ccc(O)cc21 107850327 573668714 /nfs/dbraw/zinc/66/87/14/573668714.db2.gz BIPQOEXBDANPFL-QPUJVOFHSA-N 0 3 191.274 2.378 10 0 AEAEHN CN[C@H](CC(C)=O)c1ccc(F)cc1 259154349 573668734 /nfs/dbraw/zinc/66/87/34/573668734.db2.gz CPMFYIRNVKILFQ-LLVKDONJSA-N 0 3 195.237 2.065 10 0 AEAEHN Cc1ccc([C@@H](CN)OCC2CC2)o1 43366609 573668845 /nfs/dbraw/zinc/66/88/45/573668845.db2.gz IDTAPYZMEFQQFW-LLVKDONJSA-N 0 3 195.262 2.014 10 0 AEAEHN CN[C@@H](CC(C)=O)c1ccc(F)cc1 259154351 573668873 /nfs/dbraw/zinc/66/88/73/573668873.db2.gz CPMFYIRNVKILFQ-NSHDSACASA-N 0 3 195.237 2.065 10 0 AEAEHN C[C@H]1Cc2ccncc2[C@H](C2CC2)N1 107851440 573668890 /nfs/dbraw/zinc/66/88/90/573668890.db2.gz DAEDPUVXIMBTKJ-UFBFGSQYSA-N 0 3 188.274 2.067 10 0 AEAEHN CC[C@H]1N[C@H](C)Cc2ccncc21 107851408 573668899 /nfs/dbraw/zinc/66/88/99/573668899.db2.gz WXLNBJQFSDHOCY-LDYMZIIASA-N 0 3 176.263 2.067 10 0 AEAEHN C[C@@H]1Cc2ccncc2[C@H](C2CC2)N1 107851437 573668908 /nfs/dbraw/zinc/66/89/08/573668908.db2.gz DAEDPUVXIMBTKJ-PELKAZGASA-N 0 3 188.274 2.067 10 0 AEAEHN Cc1ccc([C@H](CN)OCC2CC2)o1 43366610 573669133 /nfs/dbraw/zinc/66/91/33/573669133.db2.gz IDTAPYZMEFQQFW-NSHDSACASA-N 0 3 195.262 2.014 10 0 AEAEHN C[C@H]1Cc2ncccc2[C@@H](C2CC2)N1 107851000 573669233 /nfs/dbraw/zinc/66/92/33/573669233.db2.gz ZLFBBXGWZKKNAU-QPUJVOFHSA-N 0 3 188.274 2.067 10 0 AEAEHN CC[C@@H]1CCCCC1=C1CNC1 86881876 573669242 /nfs/dbraw/zinc/66/92/42/573669242.db2.gz PRZUMSBYMOPTIQ-SECBINFHSA-N 0 3 165.280 2.486 10 0 AEAEHN Cc1ccc([C@@H](C)C[NH3+])c(Cl)c1[O-] 258089651 573679316 /nfs/dbraw/zinc/67/93/16/573679316.db2.gz JLXOPOZGQWBHTR-ZETCQYMHSA-N 0 3 199.681 2.416 10 0 AEAEHN CCOc1ccc(F)c([C@H](C)N)c1 107996664 573679359 /nfs/dbraw/zinc/67/93/59/573679359.db2.gz DAMFUKIJUAHGOS-ZETCQYMHSA-N 0 3 183.226 2.244 10 0 AEAEHN Cc1c(F)ccc2c1[C@H](C)NCC2 75711677 573679486 /nfs/dbraw/zinc/67/94/86/573679486.db2.gz YDSRNVAQZVRCIT-QMMMGPOBSA-N 0 3 179.238 2.341 10 0 AEAEHN C[C@@H](N)c1n[nH]cc1C1CCCC1 257846399 573679684 /nfs/dbraw/zinc/67/96/84/573679684.db2.gz QDHGVJYUOBVWFV-SSDOTTSWSA-N 0 3 179.267 2.087 10 0 AEAEHN Cn1c2ccncc2c2ccc(N)cc21 259551638 573682062 /nfs/dbraw/zinc/68/20/62/573682062.db2.gz UBLXLKLGMUYNIS-UHFFFAOYSA-N 0 3 197.241 2.309 10 0 AEAEHN C[C@@H](NCC(C)(C)C)c1cncnc1 308671264 573682658 /nfs/dbraw/zinc/68/26/58/573682658.db2.gz VEESCBGMOOWNIS-SECBINFHSA-N 0 3 193.294 2.173 10 0 AEAEHN CN[C@H](C)c1ccc(SC)nc1 124873642 573686263 /nfs/dbraw/zinc/68/62/63/573686263.db2.gz RQASVGPMNQFXAT-SSDOTTSWSA-N 0 3 182.292 2.084 10 0 AEAEHN C[C@H]1CCN=C(NC(C)(C)C)S1 238470627 573686293 /nfs/dbraw/zinc/68/62/93/573686293.db2.gz MSOLPLUDGURRIB-ZETCQYMHSA-N 0 3 186.324 2.256 10 0 AEAEHN C[C@H]1[NH2+]CCc2ccc([O-])c(Cl)c21 75795831 573697009 /nfs/dbraw/zinc/69/70/09/573697009.db2.gz PNADCKPXJNREDA-ZCFIWIBFSA-N 0 3 197.665 2.252 10 0 AEAEHN CN[C@@H](C)[C@@H](F)Cc1cccc(C)c1 257848985 573697434 /nfs/dbraw/zinc/69/74/34/573697434.db2.gz OILWSURJMLSUCR-JQWIXIFHSA-N 0 3 195.281 2.484 10 0 AEAEHN CC[C@@H](C)N1CCC(=O)C(C)(C)C1 259166236 573697485 /nfs/dbraw/zinc/69/74/85/573697485.db2.gz GKGWIULZXHOYCZ-SECBINFHSA-N 0 3 183.295 2.086 10 0 AEAEHN CN[C@H](O)c1cc(C(C)C)ccc1C 259166400 573697503 /nfs/dbraw/zinc/69/75/03/573697503.db2.gz DBPLKFLVVCOMRC-GFCCVEGCSA-N 0 3 193.290 2.329 10 0 AEAEHN CNC[C@@](C)(F)c1ccccc1C 257848429 573697883 /nfs/dbraw/zinc/69/78/83/573697883.db2.gz QYSZWJCQMPUSLM-LLVKDONJSA-N 0 3 181.254 2.399 10 0 AEAEHN Cc1ccc(S[C@@H](C)N)cc1 259167244 573698472 /nfs/dbraw/zinc/69/84/72/573698472.db2.gz HFSXQTXAQPLZTP-QMMMGPOBSA-N 0 3 167.277 2.392 10 0 AEAEHN Cc1ccc(CN2CCCC2)cc1O 238483007 573699088 /nfs/dbraw/zinc/69/90/88/573699088.db2.gz STWGSVHNOBCMDU-UHFFFAOYSA-N 0 3 191.274 2.296 10 0 AEAEHN C[C@H]1NCO[C@H]1c1ccc(Cl)cc1 238477788 573707031 /nfs/dbraw/zinc/70/70/31/573707031.db2.gz OXTKOXITWRPLTG-GMSGAONNSA-N 0 3 197.665 2.347 10 0 AEAEHN CN(C)Cc1cccc(NC2CC2)c1 108256664 573707033 /nfs/dbraw/zinc/70/70/33/573707033.db2.gz KFZGJRIFTOULLD-UHFFFAOYSA-N 0 3 190.290 2.323 10 0 AEAEHN C[C@H]1NCO[C@@H]1c1ccc(Cl)cc1 238477751 573707191 /nfs/dbraw/zinc/70/71/91/573707191.db2.gz OXTKOXITWRPLTG-XCBNKYQSSA-N 0 3 197.665 2.347 10 0 AEAEHN CC(C)[C@@H]([NH3+])c1ccc([O-])cc1F 75854059 573712382 /nfs/dbraw/zinc/71/23/82/573712382.db2.gz HWZRJUXMNNJJKH-SNVBAGLBSA-N 0 3 183.226 2.187 10 0 AEAEHN CC(C)[C@@H](N)c1ccnn1C(C)(C)C 75854387 573711647 /nfs/dbraw/zinc/71/16/47/573711647.db2.gz IFIIKZODKWCVCY-SNVBAGLBSA-N 0 3 195.310 2.294 10 0 AEAEHN C[C@H](N)c1ccc2cc[nH]c2c1F 258101999 573711760 /nfs/dbraw/zinc/71/17/60/573711760.db2.gz XWEUMMQPIKUWKP-LURJTMIESA-N 0 3 178.210 2.327 10 0 AEAEHN CNCc1ocnc1-c1ccccc1 108267752 573711858 /nfs/dbraw/zinc/71/18/58/573711858.db2.gz OOHZDNRPPAZAOF-UHFFFAOYSA-N 0 3 188.230 2.061 10 0 AEAEHN C[C@@H](N)c1cc(C2CCCC2)n(C)n1 257850418 573711861 /nfs/dbraw/zinc/71/18/61/573711861.db2.gz OQBFESIPBBGFFT-MRVPVSSYSA-N 0 3 193.294 2.097 10 0 AEAEHN CC[C@H]1CNC[C@H](C2(CC)CCC2)O1 686128887 573711891 /nfs/dbraw/zinc/71/18/91/573711891.db2.gz NFIOGFMBYUAQIU-WDEREUQCSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1ccc(C2C=CC(=O)O2)cc1 83963671 573714078 /nfs/dbraw/zinc/71/40/78/573714078.db2.gz WEAIAFJXJGBKNP-SNVBAGLBSA-N 0 3 174.199 2.149 10 0 AEAEHN Cc1ccc2c(C)c(CN)[nH]c2c1 83963699 573714375 /nfs/dbraw/zinc/71/43/75/573714375.db2.gz WABYYKDBWZVXBD-UHFFFAOYSA-N 0 3 174.247 2.243 10 0 AEAEHN Cc1cccc(C[C@@H](F)C2(N)CC2)c1 257855068 573714490 /nfs/dbraw/zinc/71/44/90/573714490.db2.gz PUGOSSCBPUQTMY-LLVKDONJSA-N 0 3 193.265 2.367 10 0 AEAEHN Cc1ccccc1C1C=CC(=O)O1 83963672 573714570 /nfs/dbraw/zinc/71/45/70/573714570.db2.gz HMHPJHCHMWPKJC-JTQLQIEISA-N 0 3 174.199 2.149 10 0 AEAEHN CNCc1nccc2cc(F)ccc12 108268196 573714815 /nfs/dbraw/zinc/71/48/15/573714815.db2.gz NLNMOSGMVGPGOU-UHFFFAOYSA-N 0 3 190.221 2.093 10 0 AEAEHN Cc1cccc([C@@H](N)[C@H](C)O)c1Cl 238493188 573714819 /nfs/dbraw/zinc/71/48/19/573714819.db2.gz MRISUIQYMQDRJU-XVKPBYJWSA-N 0 3 199.681 2.029 10 0 AEAEHN CNCc1nccc2cccc(F)c12 108268204 573714879 /nfs/dbraw/zinc/71/48/79/573714879.db2.gz MVGUMAUYLSAHBG-UHFFFAOYSA-N 0 3 190.221 2.093 10 0 AEAEHN C[C@@H](N)c1nccc2cc(F)ccc12 108268192 573715323 /nfs/dbraw/zinc/71/53/23/573715323.db2.gz UIHSTAYSLPGOBB-SSDOTTSWSA-N 0 3 190.221 2.394 10 0 AEAEHN CNC[C@@](C)(F)Cc1cccc(F)c1 257852160 573731847 /nfs/dbraw/zinc/73/18/47/573731847.db2.gz MWHGPZTWMOSIJC-NSHDSACASA-N 0 3 199.244 2.316 10 0 AEAEHN Oc1ccc2c(c1)[C@H](N1CCC1)CC2 257851858 573731245 /nfs/dbraw/zinc/73/12/45/573731245.db2.gz PBXUHAVVSKUFIT-GFCCVEGCSA-N 0 3 189.258 2.085 10 0 AEAEHN C[C@@H](N)c1ccnn1C1CCCCC1 257851926 573731291 /nfs/dbraw/zinc/73/12/91/573731291.db2.gz PFAJOWDQKQFUQQ-SECBINFHSA-N 0 3 193.294 2.408 10 0 AEAEHN CN1CCC[C@@H](c2ccccc2O)C1 75906224 573731362 /nfs/dbraw/zinc/73/13/62/573731362.db2.gz RKCJXBZRJUUSRR-SNVBAGLBSA-N 0 3 191.274 2.201 10 0 AEAEHN C[C@@]1(c2cccc(F)c2)C[C@H](F)CN1 258109769 573731749 /nfs/dbraw/zinc/73/17/49/573731749.db2.gz OQMSXANRSRHDNW-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN CN1CCC[C@H](c2ccccc2O)C1 75906223 573731816 /nfs/dbraw/zinc/73/18/16/573731816.db2.gz RKCJXBZRJUUSRR-JTQLQIEISA-N 0 3 191.274 2.201 10 0 AEAEHN C[C@H]1CN[C@@H]1c1ccc(F)cc1F 259174044 573731927 /nfs/dbraw/zinc/73/19/27/573731927.db2.gz LTMJVHXMDPWOAT-WKEGUHRASA-N 0 3 183.201 2.245 10 0 AEAEHN CNC[C@](C)(F)Cc1cccc(F)c1 257852159 573731985 /nfs/dbraw/zinc/73/19/85/573731985.db2.gz MWHGPZTWMOSIJC-LLVKDONJSA-N 0 3 199.244 2.316 10 0 AEAEHN c1nn(C2CC2)cc1[C@H]1CCCCN1 75905505 573732011 /nfs/dbraw/zinc/73/20/11/573732011.db2.gz OGBKWFNLWAUHQG-LLVKDONJSA-N 0 3 191.278 2.033 10 0 AEAEHN C[C@@H]1CN[C@@H]1c1ccc(F)cc1F 259174032 573732043 /nfs/dbraw/zinc/73/20/43/573732043.db2.gz LTMJVHXMDPWOAT-LDWIPMOCSA-N 0 3 183.201 2.245 10 0 AEAEHN C[C@@H]1CN[C@H]1c1ccc(F)cc1F 259174036 573732060 /nfs/dbraw/zinc/73/20/60/573732060.db2.gz LTMJVHXMDPWOAT-LHLIQPBNSA-N 0 3 183.201 2.245 10 0 AEAEHN CC1CCC(C[C@H](F)CN)CC1 108290547 573732383 /nfs/dbraw/zinc/73/23/83/573732383.db2.gz UFMSUGKHTRWQSR-RTBKNWGFSA-N 0 3 173.275 2.500 10 0 AEAEHN CN[C@H](C)c1cccc2c1OC[C@H]2C 258111497 573732509 /nfs/dbraw/zinc/73/25/09/573732509.db2.gz OPCHDYNEDQOFJB-RKDXNWHRSA-N 0 3 191.274 2.463 10 0 AEAEHN C[C@@]1(c2cccc(F)c2)C[C@@H](F)CN1 258109766 573732541 /nfs/dbraw/zinc/73/25/41/573732541.db2.gz OQMSXANRSRHDNW-MNOVXSKESA-N 0 3 197.228 2.372 10 0 AEAEHN NCc1ccc(-c2nccs2)s1 224982622 573738990 /nfs/dbraw/zinc/73/89/90/573738990.db2.gz POXNCPUXGKDVLQ-UHFFFAOYSA-N 0 3 196.300 2.330 10 0 AEAEHN NC[C@@H](F)c1ccc(Cl)s1 108292710 573739040 /nfs/dbraw/zinc/73/90/40/573739040.db2.gz ZXNZACRYFFDOCP-SCSAIBSYSA-N 0 3 179.647 2.371 10 0 AEAEHN CCN(CC)[C@H](C)c1coc(CN)c1 257859199 573739124 /nfs/dbraw/zinc/73/91/24/573739124.db2.gz QPNMRGFWQMYBGG-SECBINFHSA-N 0 3 196.294 2.141 10 0 AEAEHN Cc1ccc2c(c1C)[C@H](N)CCO2 238500352 573739355 /nfs/dbraw/zinc/73/93/55/573739355.db2.gz ULJJYRUAKXKFNI-SECBINFHSA-N 0 3 177.247 2.086 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1ccc(N)cn1 238072381 573739379 /nfs/dbraw/zinc/73/93/79/573739379.db2.gz PHPOJZPXPKBOHP-SECBINFHSA-N 0 3 193.294 2.100 10 0 AEAEHN CC(C)(C)C[C@@H](N)c1ccc[nH]c1=O 238074406 573739599 /nfs/dbraw/zinc/73/95/99/573739599.db2.gz QJIOYLRKJZJYDY-SECBINFHSA-N 0 3 194.278 2.223 10 0 AEAEHN FC1(CN(CC2CC2)C2CC2)CC1 308427717 573739621 /nfs/dbraw/zinc/73/96/21/573739621.db2.gz YAZIUQGMWAUZCE-UHFFFAOYSA-N 0 3 183.270 2.363 10 0 AEAEHN CN[C@@H]1c2ccc(Cl)cc2O[C@H]1C 87015983 573745030 /nfs/dbraw/zinc/74/50/30/573745030.db2.gz SAVWDKZOUJKLNQ-WKEGUHRASA-N 0 3 197.665 2.381 10 0 AEAEHN CCN[C@@H]1CCOc2cc(F)ccc21 87016109 573744392 /nfs/dbraw/zinc/74/43/92/573744392.db2.gz NUTPRWZRPOZBMI-SNVBAGLBSA-N 0 3 195.237 2.259 10 0 AEAEHN CC(C)N[C@@H]1COc2cc(F)ccc21 87016144 573744461 /nfs/dbraw/zinc/74/44/61/573744461.db2.gz FHCWOMQUFDCVTJ-SNVBAGLBSA-N 0 3 195.237 2.257 10 0 AEAEHN Cc1cc([C@@](C)(F)CN)ccc1F 108297820 573744541 /nfs/dbraw/zinc/74/45/41/573744541.db2.gz QANCOKSCJXTXOO-JTQLQIEISA-N 0 3 185.217 2.278 10 0 AEAEHN Cc1ccc2c(c1Cl)[C@@H](N)CCO2 238500759 573744547 /nfs/dbraw/zinc/74/45/47/573744547.db2.gz CZLXTUMKZOIGSX-ZETCQYMHSA-N 0 3 197.665 2.431 10 0 AEAEHN CCN[C@@H]1c2ccc(C)cc2O[C@@H]1C 87016275 573744589 /nfs/dbraw/zinc/74/45/89/573744589.db2.gz AGAAQNISYDLREX-SKDRFNHKSA-N 0 3 191.274 2.427 10 0 AEAEHN Cc1cc(C)c2c(c1)[C@](F)(CN)CC2 108303179 573744590 /nfs/dbraw/zinc/74/45/90/573744590.db2.gz UURVIECYEGYGCT-GFCCVEGCSA-N 0 3 193.265 2.373 10 0 AEAEHN Cc1ccc2c(c1)OC[C@H]2NC1CC1 87016335 573744622 /nfs/dbraw/zinc/74/46/22/573744622.db2.gz BCGJMYVCNGNQKV-LLVKDONJSA-N 0 3 189.258 2.181 10 0 AEAEHN CC[C@@H]1Oc2cc(C)ccc2[C@H]1NC 87016245 573744643 /nfs/dbraw/zinc/74/46/43/573744643.db2.gz GCYXQFDKZBJECD-CMPLNLGQSA-N 0 3 191.274 2.427 10 0 AEAEHN CN[C@@H]1CCOc2cc(Cl)ccc21 87016055 573744677 /nfs/dbraw/zinc/74/46/77/573744677.db2.gz ATNQMKNZVMQKHI-SECBINFHSA-N 0 3 197.665 2.383 10 0 AEAEHN CC[C@@H]1Oc2cc(C)ccc2[C@@H]1N 87016261 573744693 /nfs/dbraw/zinc/74/46/93/573744693.db2.gz CXSWEZQHWQLDBB-ONGXEEELSA-N 0 3 177.247 2.166 10 0 AEAEHN CC[C@@H]1Oc2cc(F)ccc2[C@@H]1NC 87016127 573744718 /nfs/dbraw/zinc/74/47/18/573744718.db2.gz DAANMCJPQDEBJM-ONGXEEELSA-N 0 3 195.237 2.257 10 0 AEAEHN CC1(C)CC(=O)C[C@H](C(C)(C)C)N1 144872546 573744741 /nfs/dbraw/zinc/74/47/41/573744741.db2.gz CUXOKMWBQYZXJS-SECBINFHSA-N 0 3 183.295 2.132 10 0 AEAEHN CCN[C@@H]1c2ccc(C)cc2O[C@H]1C 87016278 573744762 /nfs/dbraw/zinc/74/47/62/573744762.db2.gz AGAAQNISYDLREX-CABZTGNLSA-N 0 3 191.274 2.427 10 0 AEAEHN CO[C@@H](C)[C@@H](N)c1sccc1C 87022374 573744798 /nfs/dbraw/zinc/74/47/98/573744798.db2.gz ZAZPXRQONSAGTN-JGVFFNPUSA-N 0 3 185.292 2.091 10 0 AEAEHN NC[C@@H](F)c1cc(F)ccc1Cl 108301970 573744840 /nfs/dbraw/zinc/74/48/40/573744840.db2.gz CHMOVDLDRKKVGA-MRVPVSSYSA-N 0 3 191.608 2.448 10 0 AEAEHN Cc1ccc2c(c1)OC[C@H]2NC(C)C 87016273 573744845 /nfs/dbraw/zinc/74/48/45/573744845.db2.gz XWJYXRXGUWBNEH-LLVKDONJSA-N 0 3 191.274 2.427 10 0 AEAEHN Cc1cc(C(F)F)c(C)nc1CN 238500444 573744872 /nfs/dbraw/zinc/74/48/72/573744872.db2.gz BOJDMXRDJLNBJO-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CCN[C@H]1c2ccc(C)cc2O[C@H]1C 87016280 573744888 /nfs/dbraw/zinc/74/48/88/573744888.db2.gz AGAAQNISYDLREX-JOYOIKCWSA-N 0 3 191.274 2.427 10 0 AEAEHN CCN[C@H]1COc2cc(C)ccc21 87016304 573744974 /nfs/dbraw/zinc/74/49/74/573744974.db2.gz AXVCTKRUQJYOPN-JTQLQIEISA-N 0 3 177.247 2.038 10 0 AEAEHN Cc1cc(C)c2c(c1)[C@@](F)(CN)CC2 108303181 573744981 /nfs/dbraw/zinc/74/49/81/573744981.db2.gz UURVIECYEGYGCT-LBPRGKRZSA-N 0 3 193.265 2.373 10 0 AEAEHN CCN[C@@H]1COc2cc(C)ccc21 87016303 573745007 /nfs/dbraw/zinc/74/50/07/573745007.db2.gz AXVCTKRUQJYOPN-SNVBAGLBSA-N 0 3 177.247 2.038 10 0 AEAEHN CNC[C@@H](F)c1cccc(C)c1 257873272 573745890 /nfs/dbraw/zinc/74/58/90/573745890.db2.gz YQFBVEUKIDHYHS-SNVBAGLBSA-N 0 3 167.227 2.225 10 0 AEAEHN Cc1ccccc1N(C)[C@H]1CCCN1 257863783 573745932 /nfs/dbraw/zinc/74/59/32/573745932.db2.gz ROMHNUDYLNJJDW-LBPRGKRZSA-N 0 3 190.290 2.141 10 0 AEAEHN NC1([C@H](F)Cc2cccc(F)c2)CC1 257863818 573745977 /nfs/dbraw/zinc/74/59/77/573745977.db2.gz RPSYGIMWBMLUJU-SNVBAGLBSA-N 0 3 197.228 2.198 10 0 AEAEHN CCN[C@@H]1c2ccc(F)cc2O[C@@H]1C 87016148 573746010 /nfs/dbraw/zinc/74/60/10/573746010.db2.gz ALXGTEQRXCEYJE-HQJQHLMTSA-N 0 3 195.237 2.257 10 0 AEAEHN Cc1ccccc1N(C)[C@@H]1CCCN1 257863782 573746039 /nfs/dbraw/zinc/74/60/39/573746039.db2.gz ROMHNUDYLNJJDW-GFCCVEGCSA-N 0 3 190.290 2.141 10 0 AEAEHN CCc1ccc2c(c1)[C@@](F)(CN)CC2 108303186 573746062 /nfs/dbraw/zinc/74/60/62/573746062.db2.gz XVSIFBUMTLKYAT-LBPRGKRZSA-N 0 3 193.265 2.319 10 0 AEAEHN CO[C@H](C)[C@@H](N)c1sccc1C 87022369 573746113 /nfs/dbraw/zinc/74/61/13/573746113.db2.gz ZAZPXRQONSAGTN-HTQZYQBOSA-N 0 3 185.292 2.091 10 0 AEAEHN CNC[C@H](F)c1cccc(C)c1 257873271 573746156 /nfs/dbraw/zinc/74/61/56/573746156.db2.gz YQFBVEUKIDHYHS-JTQLQIEISA-N 0 3 167.227 2.225 10 0 AEAEHN COC(C)(C)[C@H](N)c1sccc1C 87022321 573746166 /nfs/dbraw/zinc/74/61/66/573746166.db2.gz CFNBEKDUDORUMD-SECBINFHSA-N 0 3 199.319 2.481 10 0 AEAEHN C[C@@H]1Oc2cc(Cl)ccc2[C@H]1N 87016059 573746229 /nfs/dbraw/zinc/74/62/29/573746229.db2.gz NVQWJHJDUPTSPG-CDUCUWFYSA-N 0 3 183.638 2.121 10 0 AEAEHN CCCOCCCNc1ccncc1 131030885 573746258 /nfs/dbraw/zinc/74/62/58/573746258.db2.gz FGVWJFWPRRTXFV-UHFFFAOYSA-N 0 3 194.278 2.310 10 0 AEAEHN Cc1ccc2c(c1)[C@@](F)(CN)CCC2 108303198 573746442 /nfs/dbraw/zinc/74/64/42/573746442.db2.gz WVMHQWPMNNHXJC-LBPRGKRZSA-N 0 3 193.265 2.455 10 0 AEAEHN NC[C@@]1(F)CCCc2sccc21 108298015 573746484 /nfs/dbraw/zinc/74/64/84/573746484.db2.gz RUNFWNLJMNIVQI-VIFPVBQESA-N 0 3 185.267 2.208 10 0 AEAEHN Cn1cc([C@@H](F)CN)c2ccccc21 108302390 573746517 /nfs/dbraw/zinc/74/65/17/573746517.db2.gz DMYDCLJXODUONV-JTQLQIEISA-N 0 3 192.237 2.148 10 0 AEAEHN C[C@H]1N[C@@H](C)[C@@H](c2ccccc2)O1 238496779 573747981 /nfs/dbraw/zinc/74/79/81/573747981.db2.gz KWVWCOPFNFBTBN-QXEWZRGKSA-N 0 3 177.247 2.082 10 0 AEAEHN COc1ccc(C)cc1[C@](C)(F)CN 108307996 573748009 /nfs/dbraw/zinc/74/80/09/573748009.db2.gz WOKNUMPZEUWOSC-LLVKDONJSA-N 0 3 197.253 2.147 10 0 AEAEHN NC[C@]1(F)CCc2ccc(Cl)cc21 108311715 573748025 /nfs/dbraw/zinc/74/80/25/573748025.db2.gz APWDRBDKBORIOD-SNVBAGLBSA-N 0 3 199.656 2.410 10 0 AEAEHN Cc1ccc2c3c([nH]c2c1)C=NCC3 238496534 573748349 /nfs/dbraw/zinc/74/83/49/573748349.db2.gz BKKYFCQXQVWXPM-UHFFFAOYSA-N 0 3 184.242 2.451 10 0 AEAEHN COc1ccc([C@@](C)(F)CN)cc1C 108308004 573748437 /nfs/dbraw/zinc/74/84/37/573748437.db2.gz PXDMFSHDTYOSJV-NSHDSACASA-N 0 3 197.253 2.147 10 0 AEAEHN CCC(CC)[C@@H](NC)c1nccn1C 122464478 573750925 /nfs/dbraw/zinc/75/09/25/573750925.db2.gz CFQOZNLJVPCVIW-SNVBAGLBSA-N 0 3 195.310 2.117 10 0 AEAEHN CNC[C@@H](F)c1ccc(C)cc1 257865644 573751054 /nfs/dbraw/zinc/75/10/54/573751054.db2.gz WXXXMDMRCYMOCB-SNVBAGLBSA-N 0 3 167.227 2.225 10 0 AEAEHN COc1cc(C)c([C@@H](F)CN)c(C)c1 108307981 573751097 /nfs/dbraw/zinc/75/10/97/573751097.db2.gz ZJRDQUNBDXFPQC-JTQLQIEISA-N 0 3 197.253 2.281 10 0 AEAEHN Cc1ccc(Cl)c([C@H](N)CCO)c1 108311790 573751464 /nfs/dbraw/zinc/75/14/64/573751464.db2.gz OGZHDQXGJLVLRX-SNVBAGLBSA-N 0 3 199.681 2.031 10 0 AEAEHN CNC[C@](C)(F)c1ccccc1 257865673 573754272 /nfs/dbraw/zinc/75/42/72/573754272.db2.gz WZFXGQHQVGOKDQ-JTQLQIEISA-N 0 3 167.227 2.091 10 0 AEAEHN ClC(Cl)(Cl)[C@H]1CCCN1 238498624 573754523 /nfs/dbraw/zinc/75/45/23/573754523.db2.gz UABKOUXCNPIAOM-SCSAIBSYSA-N 0 3 188.485 2.109 10 0 AEAEHN CCc1ccc2occ(CN)c2c1 84061808 573754747 /nfs/dbraw/zinc/75/47/47/573754747.db2.gz PYGPKIDTSCPOKW-UHFFFAOYSA-N 0 3 175.231 2.454 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@@H](C)CC[C@H]1C 84050128 573754827 /nfs/dbraw/zinc/75/48/27/573754827.db2.gz FYXMATGIGDTPSU-AEJSXWLSSA-N 0 3 183.295 2.084 10 0 AEAEHN CNCc1coc2c(F)ccc(F)c12 84062063 573754971 /nfs/dbraw/zinc/75/49/71/573754971.db2.gz XVYHWRYZJPSLPH-UHFFFAOYSA-N 0 3 197.184 2.430 10 0 AEAEHN CN1CCC[C@@H]1c1ccccc1C=O 257867269 573755936 /nfs/dbraw/zinc/75/59/36/573755936.db2.gz SHTVLGKTCFJYOI-GFCCVEGCSA-N 0 3 189.258 2.266 10 0 AEAEHN C[C@H]1CC[C@@H](C)N(CC(=O)C2CC2)C1 84050228 573756060 /nfs/dbraw/zinc/75/60/60/573756060.db2.gz NIGVQQIJEYIYDP-VHSXEESVSA-N 0 3 195.306 2.086 10 0 AEAEHN CC(C)CCCCn1cncc1CN 147865950 573756084 /nfs/dbraw/zinc/75/60/84/573756084.db2.gz NSVYFPAHVGUFPJ-UHFFFAOYSA-N 0 3 195.310 2.168 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@H](C)CC[C@@H]1C 84050116 573756223 /nfs/dbraw/zinc/75/62/23/573756223.db2.gz FYXMATGIGDTPSU-UTLUCORTSA-N 0 3 183.295 2.084 10 0 AEAEHN Cc1ccc(Cl)c2c1OC[C@@H]2N 84058107 573756332 /nfs/dbraw/zinc/75/63/32/573756332.db2.gz ZCOKZQNKXYZKQM-ZETCQYMHSA-N 0 3 183.638 2.041 10 0 AEAEHN CC(C)n1ncc(CN)c1C(C)(C)C 257868110 573756567 /nfs/dbraw/zinc/75/65/67/573756567.db2.gz SLQRTQTZOIGTQJ-UHFFFAOYSA-N 0 3 195.310 2.220 10 0 AEAEHN CCC(=O)CN1C[C@@H](C)CC[C@@H]1C 84050214 573756582 /nfs/dbraw/zinc/75/65/82/573756582.db2.gz AQBDNSJCSQUKMS-UWVGGRQHSA-N 0 3 183.295 2.086 10 0 AEAEHN CC(=O)[C@H](C)N1C[C@H](C)CC[C@H]1C 84050125 573756634 /nfs/dbraw/zinc/75/66/34/573756634.db2.gz FYXMATGIGDTPSU-BBBLOLIVSA-N 0 3 183.295 2.084 10 0 AEAEHN Cc1cc(Cl)cc2c1CNC2 238506105 573756754 /nfs/dbraw/zinc/75/67/54/573756754.db2.gz IUEDECICHBFPGV-UHFFFAOYSA-N 0 3 167.639 2.252 10 0 AEAEHN Cc1ccc(Cl)c2c1O[C@H](C)[C@@H]2N 84058023 573756800 /nfs/dbraw/zinc/75/68/00/573756800.db2.gz SGTPVSKCLAPYAR-MUWHJKNJSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1cc(Cl)cc2c1[C@H](N)CCO2 238506417 573756900 /nfs/dbraw/zinc/75/69/00/573756900.db2.gz PKXDHQZANQVJEY-MRVPVSSYSA-N 0 3 197.665 2.431 10 0 AEAEHN NCc1coc2c(F)c(F)ccc12 84062030 573757181 /nfs/dbraw/zinc/75/71/81/573757181.db2.gz WSPXIPCNONTRTO-UHFFFAOYSA-N 0 3 183.157 2.170 10 0 AEAEHN CC(C)(C)C[C@@]1(C)CCNCO1 238077194 573757251 /nfs/dbraw/zinc/75/72/51/573757251.db2.gz SISONZDCQHZTBQ-SNVBAGLBSA-N 0 3 171.284 2.149 10 0 AEAEHN Cc1ccc(Cl)c2c1O[C@@H](C)[C@@H]2N 84058026 573757268 /nfs/dbraw/zinc/75/72/68/573757268.db2.gz SGTPVSKCLAPYAR-RCOVLWMOSA-N 0 3 197.665 2.429 10 0 AEAEHN Cc1cc(Cl)cc2c1[C@H](N)CO2 238506460 573757282 /nfs/dbraw/zinc/75/72/82/573757282.db2.gz GMKOZZRZTCYHKF-SSDOTTSWSA-N 0 3 183.638 2.041 10 0 AEAEHN Cc1cc(Cl)cc2c1[C@@H](N)CCO2 238506429 573757446 /nfs/dbraw/zinc/75/74/46/573757446.db2.gz PKXDHQZANQVJEY-QMMMGPOBSA-N 0 3 197.665 2.431 10 0 AEAEHN CCC(=O)CN1C[C@H](C)CC[C@@H]1C 84050210 573757519 /nfs/dbraw/zinc/75/75/19/573757519.db2.gz AQBDNSJCSQUKMS-ZJUUUORDSA-N 0 3 183.295 2.086 10 0 AEAEHN CN[C@H](Cc1ccco1)c1ccco1 131153021 573768057 /nfs/dbraw/zinc/76/80/57/573768057.db2.gz SOWSCUDUQUUYCK-SNVBAGLBSA-N 0 3 191.230 2.376 10 0 AEAEHN COC[C@@H](C)[C@@H](C)NCc1ccco1 308711707 573768112 /nfs/dbraw/zinc/76/81/12/573768112.db2.gz ZBUYYGFFGISFBE-NXEZZACHSA-N 0 3 197.278 2.040 10 0 AEAEHN COC[C@H](C)[C@H](C)NCc1ccco1 308711708 573768329 /nfs/dbraw/zinc/76/83/29/573768329.db2.gz ZBUYYGFFGISFBE-UWVGGRQHSA-N 0 3 197.278 2.040 10 0 AEAEHN CN[C@@H](CC(C)=O)c1cccc(C)c1 259177575 573769299 /nfs/dbraw/zinc/76/92/99/573769299.db2.gz DOUNDBSAURNFRB-LBPRGKRZSA-N 0 3 191.274 2.235 10 0 AEAEHN C[C@@](F)(c1ccccc1F)[C@H]1CCN1 257872510 573769592 /nfs/dbraw/zinc/76/95/92/573769592.db2.gz TZCIXKOUSBNONY-GHMZBOCLSA-N 0 3 197.228 2.372 10 0 AEAEHN CN[C@H](CC(C)=O)c1cccc(C)c1 259177572 573769624 /nfs/dbraw/zinc/76/96/24/573769624.db2.gz DOUNDBSAURNFRB-GFCCVEGCSA-N 0 3 191.274 2.235 10 0 AEAEHN COC[C@H](C)[C@@H](C)NCc1ccco1 308711709 573769814 /nfs/dbraw/zinc/76/98/14/573769814.db2.gz ZBUYYGFFGISFBE-VHSXEESVSA-N 0 3 197.278 2.040 10 0 AEAEHN CC(C)Oc1cccc2c1CNCC2 257871408 573769830 /nfs/dbraw/zinc/76/98/30/573769830.db2.gz AGCDVPRFLHEGJE-UHFFFAOYSA-N 0 3 191.274 2.120 10 0 AEAEHN C[C@@H](N)c1nocc1C1CCCC1 257875405 573773633 /nfs/dbraw/zinc/77/36/33/573773633.db2.gz ZDHFLFKCXCGYCY-SSDOTTSWSA-N 0 3 180.251 2.352 10 0 AEAEHN CCc1cc([C@@H](C)N)c(OC)cc1F 258126553 573775014 /nfs/dbraw/zinc/77/50/14/573775014.db2.gz RDHIIHHDAYNHKC-SSDOTTSWSA-N 0 3 197.253 2.416 10 0 AEAEHN Cc1ccc(-c2conc2CN)cc1 257875375 573775027 /nfs/dbraw/zinc/77/50/27/573775027.db2.gz ZCOOGUBHFSWOFE-UHFFFAOYSA-N 0 3 188.230 2.109 10 0 AEAEHN CCC(CC)CCNCc1cc[nH]n1 308718479 573775045 /nfs/dbraw/zinc/77/50/45/573775045.db2.gz CEWZSRRRKJWPRK-UHFFFAOYSA-N 0 3 195.310 2.326 10 0 AEAEHN CC(C)(N)c1cc2c(O)cccc2o1 257875371 573775183 /nfs/dbraw/zinc/77/51/83/573775183.db2.gz IYIRBCZXLDRVHA-UHFFFAOYSA-N 0 3 191.230 2.332 10 0 AEAEHN C[C@H](N)c1nocc1C1CCCC1 257875409 573775201 /nfs/dbraw/zinc/77/52/01/573775201.db2.gz ZDHFLFKCXCGYCY-ZETCQYMHSA-N 0 3 180.251 2.352 10 0 AEAEHN Cc1cc([C@@H]2CCNC[C@@H]2F)oc1C 238510912 573775209 /nfs/dbraw/zinc/77/52/09/573775209.db2.gz YQBRPRBNGIYFLR-ZJUUUORDSA-N 0 3 197.253 2.311 10 0 AEAEHN Cc1nc(C)c(C(F)F)cc1CN 238510282 573775254 /nfs/dbraw/zinc/77/52/54/573775254.db2.gz BXHAOGROIDUIIA-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN Cc1cc([O-])c(Cl)cc1[C@H](C)C[NH3+] 258126899 573775315 /nfs/dbraw/zinc/77/53/15/573775315.db2.gz MSUSUWAWEPXNLQ-SSDOTTSWSA-N 0 3 199.681 2.416 10 0 AEAEHN CS[C@H](C)CNc1ccncc1 122656330 573782486 /nfs/dbraw/zinc/78/24/86/573782486.db2.gz RPWPEGIUUBYYPX-MRVPVSSYSA-N 0 3 182.292 2.245 10 0 AEAEHN CNCc1cc(F)c(F)cc1Cl 108372766 573782488 /nfs/dbraw/zinc/78/24/88/573782488.db2.gz HTFYKOPVMRUWLL-UHFFFAOYSA-N 0 3 191.608 2.338 10 0 AEAEHN Clc1cocc1[C@H]1CCCN1 238513768 573782575 /nfs/dbraw/zinc/78/25/75/573782575.db2.gz JTIGNQIUWGIWBQ-MRVPVSSYSA-N 0 3 171.627 2.358 10 0 AEAEHN CCc1ccc([C@H](NC)OC)cc1 259186935 573784016 /nfs/dbraw/zinc/78/40/16/573784016.db2.gz KEESNRMESXFQFL-LLVKDONJSA-N 0 3 179.263 2.113 10 0 AEAEHN C[C@H](CC1CCCCC1)NC1COC1 308739949 573784118 /nfs/dbraw/zinc/78/41/18/573784118.db2.gz NYHZCPSTEMLQFL-SNVBAGLBSA-N 0 3 197.322 2.334 10 0 AEAEHN CO[C@H]1C[C@@H](N[C@@H](C)c2ccoc2)C1 308739150 573784172 /nfs/dbraw/zinc/78/41/72/573784172.db2.gz NMFPXNKFWSCGCJ-INTQDDNPSA-N 0 3 195.262 2.108 10 0 AEAEHN Cc1ccc([C@@H]2CCNC[C@@H]2F)o1 238517323 573787109 /nfs/dbraw/zinc/78/71/09/573787109.db2.gz GUIODTKDKRBTQD-BDAKNGLRSA-N 0 3 183.226 2.003 10 0 AEAEHN CCC(CC)n1nc(C)c(CN)c1C 40931593 573787196 /nfs/dbraw/zinc/78/71/96/573787196.db2.gz HGTORQTWQLKRLY-UHFFFAOYSA-N 0 3 195.310 2.320 10 0 AEAEHN CCCN[C@@H](C)c1cnoc1C 40932879 573787341 /nfs/dbraw/zinc/78/73/41/573787341.db2.gz NPAXJVKMONZFSR-ZETCQYMHSA-N 0 3 168.240 2.044 10 0 AEAEHN C[C@H]([NH3+])Cc1cc2c([O-])cccc2o1 257874126 573787531 /nfs/dbraw/zinc/78/75/31/573787531.db2.gz IVOBKDDCQCXVLG-ZETCQYMHSA-N 0 3 191.230 2.028 10 0 AEAEHN CCCCn1ncc([C@H](C)NC)c1C 40932980 573787842 /nfs/dbraw/zinc/78/78/42/573787842.db2.gz GJKIVVKYOJJKDS-VIFPVBQESA-N 0 3 195.310 2.272 10 0 AEAEHN CCCc1ccc2c(c1)CNCCO2 84179594 573794157 /nfs/dbraw/zinc/79/41/57/573794157.db2.gz TTXSCYXAGZYIDZ-UHFFFAOYSA-N 0 3 191.274 2.121 10 0 AEAEHN Cc1ccc(Cl)c2c1CNCCO2 84179586 573794609 /nfs/dbraw/zinc/79/46/09/573794609.db2.gz XMXXNINOGFCAEJ-UHFFFAOYSA-N 0 3 197.665 2.130 10 0 AEAEHN C[C@]1(c2ccccc2F)CCN1 84179145 573794774 /nfs/dbraw/zinc/79/47/74/573794774.db2.gz CKVXLGWNDDHBMR-SNVBAGLBSA-N 0 3 165.211 2.034 10 0 AEAEHN CC(C)c1ccc2c(c1)CNCCO2 84179572 573794821 /nfs/dbraw/zinc/79/48/21/573794821.db2.gz ZVXRZPFIJWPSFP-UHFFFAOYSA-N 0 3 191.274 2.292 10 0 AEAEHN CNCc1cc(C2CC2)n(C(C)C)n1 257878129 573794840 /nfs/dbraw/zinc/79/48/40/573794840.db2.gz UXDOPFCKETYONN-UHFFFAOYSA-N 0 3 193.294 2.061 10 0 AEAEHN C[C@H](N)c1cc2c(O)cccc2o1 257878100 573794865 /nfs/dbraw/zinc/79/48/65/573794865.db2.gz JIAGOBZCFWOWNC-LURJTMIESA-N 0 3 177.203 2.158 10 0 AEAEHN CN[C@H](Cc1ccoc1)c1ccoc1 131233085 573794935 /nfs/dbraw/zinc/79/49/35/573794935.db2.gz VQEZADHFRFTSPK-LLVKDONJSA-N 0 3 191.230 2.376 10 0 AEAEHN C[C@@H](N)c1cc2c(O)cccc2o1 257878104 573795419 /nfs/dbraw/zinc/79/54/19/573795419.db2.gz JIAGOBZCFWOWNC-ZCFIWIBFSA-N 0 3 177.203 2.158 10 0 AEAEHN C/C=C\CN1CCC(F)(F)CC1 388438008 573795760 /nfs/dbraw/zinc/79/57/60/573795760.db2.gz QXEQSHXQVBRCIE-IHWYPQMZSA-N 0 3 175.222 2.294 10 0 AEAEHN CN[C@H](Cc1ccco1)c1ccoc1 131233532 573795857 /nfs/dbraw/zinc/79/58/57/573795857.db2.gz KDXAIMJTAYXPAH-LLVKDONJSA-N 0 3 191.230 2.376 10 0 AEAEHN Cc1cc(F)c(C2(N)CCC2)cc1O 258133693 573803838 /nfs/dbraw/zinc/80/38/38/573803838.db2.gz RRTUATABMJCLSJ-UHFFFAOYSA-N 0 3 195.237 2.178 10 0 AEAEHN CC(=O)[C@H](C1CCC1)N1CCCCC1 259194777 573803934 /nfs/dbraw/zinc/80/39/34/573803934.db2.gz HXFQMTNNCJSLPN-GFCCVEGCSA-N 0 3 195.306 2.230 10 0 AEAEHN C[C@@H]1NC[C@@H](C2CCCCC2)O[C@@H]1C 87149145 573804013 /nfs/dbraw/zinc/80/40/13/573804013.db2.gz MSSKFFHFZYUTQV-UMNHJUIQSA-N 0 3 197.322 2.332 10 0 AEAEHN C[C@@H]1NC[C@@H](C2CCCCC2)O[C@H]1C 87149141 573804299 /nfs/dbraw/zinc/80/42/99/573804299.db2.gz MSSKFFHFZYUTQV-NHCYSSNCSA-N 0 3 197.322 2.332 10 0 AEAEHN CC(=O)CCCNCc1ccc(C)o1 258957783 573804590 /nfs/dbraw/zinc/80/45/90/573804590.db2.gz SKCDNOYTMYHFLQ-UHFFFAOYSA-N 0 3 195.262 2.047 10 0 AEAEHN CNC[C@@](C)(F)Cc1ccccc1C 257882271 573807117 /nfs/dbraw/zinc/80/71/17/573807117.db2.gz VPUIYLHSFIJAJT-LBPRGKRZSA-N 0 3 195.281 2.485 10 0 AEAEHN CNC1(c2ccc(F)cc2)CC(F)C1 257882276 573807469 /nfs/dbraw/zinc/80/74/69/573807469.db2.gz VQALIWGKJVACRW-UHFFFAOYSA-N 0 3 197.228 2.372 10 0 AEAEHN CNC[C@](C)(F)Cc1ccccc1C 257882268 573807626 /nfs/dbraw/zinc/80/76/26/573807626.db2.gz VPUIYLHSFIJAJT-GFCCVEGCSA-N 0 3 195.281 2.485 10 0 AEAEHN C[Si](C)(C)Nc1ccccc1CN 238529554 573810969 /nfs/dbraw/zinc/81/09/69/573810969.db2.gz CQVGIQUAFFBOJO-UHFFFAOYSA-N 0 3 194.354 2.392 10 0 AEAEHN CN[C@H](C)[C@@H](F)Cc1ccccc1 257879128 573810384 /nfs/dbraw/zinc/81/03/84/573810384.db2.gz LRHCPNVJFXHTIK-KOLCDFICSA-N 0 3 181.254 2.175 10 0 AEAEHN Cc1nccc2c1C=C[C@@H]1C=CN[C@@H]21 238524765 573823366 /nfs/dbraw/zinc/82/33/66/573823366.db2.gz FIYXFJRRRAYBPY-BXKDBHETSA-N 0 3 184.242 2.191 10 0 AEAEHN CCC1(CNC2COC2)CCCCC1 308753143 573823752 /nfs/dbraw/zinc/82/37/52/573823752.db2.gz VGWUWQLOSOOETJ-UHFFFAOYSA-N 0 3 197.322 2.335 10 0 AEAEHN Cc1nccc2c1C=C[C@H]1C=CN[C@@H]21 238524745 573826272 /nfs/dbraw/zinc/82/62/72/573826272.db2.gz FIYXFJRRRAYBPY-JOYOIKCWSA-N 0 3 184.242 2.191 10 0 AEAEHN CC(C)(C)[C@@H](N)c1ccc(F)nc1 238140106 573826280 /nfs/dbraw/zinc/82/62/80/573826280.db2.gz MPEDJODOCNXNNP-VIFPVBQESA-N 0 3 182.242 2.267 10 0 AEAEHN CN[C@@H](C)[C@H](F)c1cccc(O)c1 257884897 573826283 /nfs/dbraw/zinc/82/62/83/573826283.db2.gz MMEGHUJRJPHLIG-XVKPBYJWSA-N 0 3 183.226 2.011 10 0 AEAEHN COc1ccc(S[C@@H](C)N)cc1C 259204799 573826334 /nfs/dbraw/zinc/82/63/34/573826334.db2.gz KYGHMJLFEGBOOC-QMMMGPOBSA-N 0 3 197.303 2.400 10 0 AEAEHN CC(C)(CNC1COC1)C1=CCCC1 308752859 573826434 /nfs/dbraw/zinc/82/64/34/573826434.db2.gz DENQKQSMFRQIIM-UHFFFAOYSA-N 0 3 195.306 2.111 10 0 AEAEHN C[C@]1(c2ccccc2F)C[C@@H](F)CN1 258149257 573826483 /nfs/dbraw/zinc/82/64/83/573826483.db2.gz RXUOYJIMTHSHIJ-LDYMZIIASA-N 0 3 197.228 2.372 10 0 AEAEHN CCCC[C@@H](N)c1nnc(C(C)C)[nH]1 41058572 573826561 /nfs/dbraw/zinc/82/65/61/573826561.db2.gz BNIFWFBHHATLSD-MRVPVSSYSA-N 0 3 196.298 2.118 10 0 AEAEHN CCCC[C@@H](N)c1n[nH]c(C(C)C)n1 41058572 573826564 /nfs/dbraw/zinc/82/65/64/573826564.db2.gz BNIFWFBHHATLSD-MRVPVSSYSA-N 0 3 196.298 2.118 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1cccc(O)c1 257884894 573826644 /nfs/dbraw/zinc/82/66/44/573826644.db2.gz MMEGHUJRJPHLIG-GMSGAONNSA-N 0 3 183.226 2.011 10 0 AEAEHN CN(CC(F)(F)F)c1ccncc1 258964166 573826646 /nfs/dbraw/zinc/82/66/46/573826646.db2.gz AXUHMTKHUHKAHA-UHFFFAOYSA-N 0 3 190.168 2.080 10 0 AEAEHN C[C@]1(c2ccccc2F)C[C@H](F)CN1 258149244 573826804 /nfs/dbraw/zinc/82/68/04/573826804.db2.gz RXUOYJIMTHSHIJ-GZMMTYOYSA-N 0 3 197.228 2.372 10 0 AEAEHN NC[C@H]1CC(C2CCCCCC2)=NO1 84328959 573830283 /nfs/dbraw/zinc/83/02/83/573830283.db2.gz MIIOSXLBOBRSDB-SNVBAGLBSA-N 0 3 196.294 2.060 10 0 AEAEHN CC[C@@H](C)[C@@H](NC)c1coc(C)n1 393592834 573830313 /nfs/dbraw/zinc/83/03/13/573830313.db2.gz YPBSXKOZXINOQE-GMSGAONNSA-N 0 3 182.267 2.290 10 0 AEAEHN Cc1cc(F)c2c(c1F)CNC[C@@H]2C 87220334 573830339 /nfs/dbraw/zinc/83/03/39/573830339.db2.gz FHZSWJYPYOMDPX-ZETCQYMHSA-N 0 3 197.228 2.480 10 0 AEAEHN C[C@]1(C2CCCCC2)CC(=O)CCN1 258143712 573830387 /nfs/dbraw/zinc/83/03/87/573830387.db2.gz RIVPYCIARYKWFO-GFCCVEGCSA-N 0 3 195.306 2.278 10 0 AEAEHN NC1([C@@H](F)Cc2ccccc2)CC1 257886225 573830838 /nfs/dbraw/zinc/83/08/38/573830838.db2.gz MPKTTZIKDCITJC-JTQLQIEISA-N 0 3 179.238 2.059 10 0 AEAEHN NC1([C@H](F)Cc2ccccc2)CC1 257886226 573831199 /nfs/dbraw/zinc/83/11/99/573831199.db2.gz MPKTTZIKDCITJC-SNVBAGLBSA-N 0 3 179.238 2.059 10 0 AEAEHN Cc1cc(F)c2c(c1F)CCN[C@H]2C 87220372 573831237 /nfs/dbraw/zinc/83/12/37/573831237.db2.gz AFJGMFLZKBAPAC-ZETCQYMHSA-N 0 3 197.228 2.480 10 0 AEAEHN Cc1c(CN)cnc(C(F)F)c1C 238540120 573831384 /nfs/dbraw/zinc/83/13/84/573831384.db2.gz PQSXDHVOWLQADI-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN CN[C@@H](C)c1onc2c(F)cccc12 257886471 573831390 /nfs/dbraw/zinc/83/13/90/573831390.db2.gz WHLRQYVWTLULGN-LURJTMIESA-N 0 3 194.209 2.247 10 0 AEAEHN CC(C)C[C@H]1CC(=O)CC(C)(C)N1 238147072 573831731 /nfs/dbraw/zinc/83/17/31/573831731.db2.gz SNCUZEOFDOIQBS-VIFPVBQESA-N 0 3 183.295 2.132 10 0 AEAEHN Cc1ccc2c([O-])cc(C[NH3+])cc2c1 257885069 573832192 /nfs/dbraw/zinc/83/21/92/573832192.db2.gz MOIBVDUEOZYNLA-UHFFFAOYSA-N 0 3 187.242 2.313 10 0 AEAEHN COc1cc(C)c(F)cc1[C@H](C)N 87225007 573832367 /nfs/dbraw/zinc/83/23/67/573832367.db2.gz LAJWCPRXJCXEBG-ZETCQYMHSA-N 0 3 183.226 2.162 10 0 AEAEHN CC[C@@H](C)[C@@H](NC)c1nccs1 41060440 573832550 /nfs/dbraw/zinc/83/25/50/573832550.db2.gz FNLDRANEQVQSDG-HTQZYQBOSA-N 0 3 184.308 2.450 10 0 AEAEHN CN[C@@H](C)c1cc(F)c(C)cc1OC 87225010 573832598 /nfs/dbraw/zinc/83/25/98/573832598.db2.gz FPUJDPBVMZCWIO-QMMMGPOBSA-N 0 3 197.253 2.423 10 0 AEAEHN Cc1cc(N(C)C)c([C@H](C)N)cc1F 87224963 573835443 /nfs/dbraw/zinc/83/54/43/573835443.db2.gz PDXIIZWQSMZKRH-QMMMGPOBSA-N 0 3 196.269 2.220 10 0 AEAEHN Cc1cc(Cl)c2c(c1)CNC2 238532818 573835456 /nfs/dbraw/zinc/83/54/56/573835456.db2.gz CEQJJSUOJFIKJJ-UHFFFAOYSA-N 0 3 167.639 2.252 10 0 AEAEHN Cc1cc2c(o1)CCN[C@H]2C1CC1 84333691 573835467 /nfs/dbraw/zinc/83/54/67/573835467.db2.gz CQGBIEJEAATKML-NSHDSACASA-N 0 3 177.247 2.185 10 0 AEAEHN Cc1cc(C=O)c(C(C)(C)N)cc1F 258152932 573835480 /nfs/dbraw/zinc/83/54/80/573835480.db2.gz UGBUMYQRAXRFJU-UHFFFAOYSA-N 0 3 195.237 2.140 10 0 AEAEHN NCc1cncc(C2CCCC2)c1 257887254 573835890 /nfs/dbraw/zinc/83/58/90/573835890.db2.gz MTBPISLCRIYKSX-UHFFFAOYSA-N 0 3 176.263 2.198 10 0 AEAEHN C[C@H]1CNC[C@@H](C2CCCCCC2)O1 84330717 573837449 /nfs/dbraw/zinc/83/74/49/573837449.db2.gz TWQDBQHPFVTTRI-JQWIXIFHSA-N 0 3 197.322 2.334 10 0 AEAEHN C[C@@H]1CNC[C@H](C2CCCCCC2)O1 84330711 573837462 /nfs/dbraw/zinc/83/74/62/573837462.db2.gz TWQDBQHPFVTTRI-ZYHUDNBSSA-N 0 3 197.322 2.334 10 0 AEAEHN Cc1nn(C(C)C)c(C)c1[C@@H](F)CN 258153435 573837766 /nfs/dbraw/zinc/83/77/66/573837766.db2.gz SGGNBWCNQANUJB-VIFPVBQESA-N 0 3 199.273 2.050 10 0 AEAEHN COCNCCc1ccc(Cl)cc1 259207962 573837803 /nfs/dbraw/zinc/83/78/03/573837803.db2.gz WXXGPZXLXNTLEK-UHFFFAOYSA-N 0 3 199.681 2.076 10 0 AEAEHN CNCc1nc(CCC(C)C)cs1 308756856 573837953 /nfs/dbraw/zinc/83/79/53/573837953.db2.gz WQZNBIMCPGACHY-UHFFFAOYSA-N 0 3 198.335 2.451 10 0 AEAEHN N[C@@H](c1cscn1)C1CCCC1 84343685 573842497 /nfs/dbraw/zinc/84/24/97/573842497.db2.gz PBNUYBSVMDGWJQ-SECBINFHSA-N 0 3 182.292 2.333 10 0 AEAEHN Cc1cc(C)c(C(F)F)c(CN)n1 238535150 573842094 /nfs/dbraw/zinc/84/20/94/573842094.db2.gz QWPZPQJLJBLPRB-UHFFFAOYSA-N 0 3 186.205 2.095 10 0 AEAEHN Cc1nc(C)c([C@H](N)C(C)C)s1 84345373 573842187 /nfs/dbraw/zinc/84/21/87/573842187.db2.gz YAYKZDIBYOJASK-MRVPVSSYSA-N 0 3 184.308 2.416 10 0 AEAEHN c1ccc(S[C@H]2CCCN2)cc1 257887302 573842250 /nfs/dbraw/zinc/84/22/50/573842250.db2.gz MVBUMJHVVLVOLV-JTQLQIEISA-N 0 3 179.288 2.488 10 0 AEAEHN CN[C@@H](c1csc(C)n1)C(C)C 84345360 573842253 /nfs/dbraw/zinc/84/22/53/573842253.db2.gz HPRUCUXDBOEEBS-SECBINFHSA-N 0 3 184.308 2.368 10 0 AEAEHN N[C@@H](c1cncs1)C1CCCC1 84343679 573842349 /nfs/dbraw/zinc/84/23/49/573842349.db2.gz APDFYDJDEJVKFS-SECBINFHSA-N 0 3 182.292 2.333 10 0 AEAEHN CNCC(=O)CC1CCC(C)(C)CC1 308453412 573846679 /nfs/dbraw/zinc/84/66/79/573846679.db2.gz AQXARLTZWSVPHM-UHFFFAOYSA-N 0 3 197.322 2.381 10 0 AEAEHN CN[C@H](C)[C@@H](F)c1ccc(F)cc1 257888121 573847111 /nfs/dbraw/zinc/84/71/11/573847111.db2.gz MXPZDQIPGYUXKC-GMSGAONNSA-N 0 3 185.217 2.444 10 0 AEAEHN CCN1c2ccncc2NCC[C@H]1C 87262200 573858638 /nfs/dbraw/zinc/85/86/38/573858638.db2.gz RTPABEVRIFOMFD-SECBINFHSA-N 0 3 191.278 2.112 10 0 AEAEHN CCC1(O)CN([C@H]2CCC[C@H](C)C2)C1 84359887 573858718 /nfs/dbraw/zinc/85/87/18/573858718.db2.gz MPIQIRDDMZMCGS-QWRGUYRKSA-N 0 3 197.322 2.022 10 0 AEAEHN Cc1ccc(C(C)C)cc1CNCN 258973164 573858946 /nfs/dbraw/zinc/85/89/46/573858946.db2.gz XIGNSRLYJGDCSY-UHFFFAOYSA-N 0 3 192.306 2.124 10 0 AEAEHN CCC[C@@H]1CNc2cnccc2N1 87261463 573858954 /nfs/dbraw/zinc/85/89/54/573858954.db2.gz OFVNXBLEFQDFGJ-MRVPVSSYSA-N 0 3 177.251 2.088 10 0 AEAEHN CCCC[C@@H]1CNc2cnccc2N1 87261006 573859018 /nfs/dbraw/zinc/85/90/18/573859018.db2.gz MTVDGUQAISZYLL-SECBINFHSA-N 0 3 191.278 2.478 10 0 AEAEHN CN[C@H](C)[C@H](F)Cc1ccccc1F 257890981 573862358 /nfs/dbraw/zinc/86/23/58/573862358.db2.gz UIFATIGQDJXBJC-LDYMZIIASA-N 0 3 199.244 2.314 10 0 AEAEHN NCc1c(F)cc(F)c2occc12 258165722 573862211 /nfs/dbraw/zinc/86/22/11/573862211.db2.gz VJYLQQWGWRIRRI-UHFFFAOYSA-N 0 3 183.157 2.170 10 0 AEAEHN CC[C@H](NC)c1ccc(Cl)cn1 87286215 573864938 /nfs/dbraw/zinc/86/49/38/573864938.db2.gz RQKQNKKNZUMNBD-QMMMGPOBSA-N 0 3 184.670 2.406 10 0 AEAEHN Cc1ccc([C@H]2CCNC[C@@H]2F)cc1 238540889 573865134 /nfs/dbraw/zinc/86/51/34/573865134.db2.gz GGXCWEUBISZOFW-NEPJUHHUSA-N 0 3 193.265 2.410 10 0 AEAEHN c1nc([C@H]2CCCN2)sc1C1CC1 258165485 573865230 /nfs/dbraw/zinc/86/52/30/573865230.db2.gz TZEOTKJORPZKBZ-MRVPVSSYSA-N 0 3 194.303 2.445 10 0 AEAEHN CC(=O)C[C@@H](N)c1ccc(Cl)cc1 259214882 573865526 /nfs/dbraw/zinc/86/55/26/573865526.db2.gz DZGUENIYWHHODB-SNVBAGLBSA-N 0 3 197.665 2.319 10 0 AEAEHN CC(C)C[C@@]1(C)N[C@H](C)CC(C)(C)N1 238171003 573865534 /nfs/dbraw/zinc/86/55/34/573865534.db2.gz JUUPOOUSUFLZCW-PWSUYJOCSA-N 0 3 198.354 2.499 10 0 AEAEHN CC(C)CCCOc1cnccc1N 308458435 573865639 /nfs/dbraw/zinc/86/56/39/573865639.db2.gz DSUFFPVFMNLIMB-UHFFFAOYSA-N 0 3 194.278 2.479 10 0 AEAEHN CC(C)(C)[C@H](N)c1c(N)cccc1F 238171569 573865811 /nfs/dbraw/zinc/86/58/11/573865811.db2.gz LAQXPDTZMTZTNB-SNVBAGLBSA-N 0 3 196.269 2.454 10 0 AEAEHN Cc1ccc(-c2c[nH]c(N)n2)cc1F 87285501 573865850 /nfs/dbraw/zinc/86/58/50/573865850.db2.gz HROUMIQKJSCARD-UHFFFAOYSA-N 0 3 191.209 2.106 10 0 AEAEHN CC[C@H]1C[C@]1(N)c1ccc(Cl)cn1 87286456 573866446 /nfs/dbraw/zinc/86/64/46/573866446.db2.gz ZPAZAZGNFWHJLF-OIBJUYFYSA-N 0 3 196.681 2.319 10 0 AEAEHN CN[C@@H](c1ccc(Cl)cn1)C1CC1 87286151 573866488 /nfs/dbraw/zinc/86/64/88/573866488.db2.gz GPSFEUZBRHFYSP-SNVBAGLBSA-N 0 3 196.681 2.406 10 0 AEAEHN CNCc1cc(OC)cc(C)c1Cl 215001383 573866506 /nfs/dbraw/zinc/86/65/06/573866506.db2.gz UKIKKDLQVYEEIR-UHFFFAOYSA-N 0 3 199.681 2.376 10 0 AEAEHN C[NH2+]CCc1cc(C)c(Cl)c([O-])c1 215000783 573866633 /nfs/dbraw/zinc/86/66/33/573866633.db2.gz LZGLCDQXUAUXBT-UHFFFAOYSA-N 0 3 199.681 2.116 10 0 AEAEHN Cc1cc([O-])c(Cl)c(/C=C/C[NH3+])c1 258165597 573866800 /nfs/dbraw/zinc/86/68/00/573866800.db2.gz VIIHDWZVQDXIOG-NSCUHMNNSA-N 0 3 197.665 2.326 10 0 AEAEHN N[C@]1(c2cccs2)CCSC1 84346708 573866802 /nfs/dbraw/zinc/86/68/02/573866802.db2.gz NNSYJPWYINPRQD-MRVPVSSYSA-N 0 3 185.317 2.039 10 0 AEAEHN CC[C@H]1CSC[C@@H](c2ccoc2)N1 87307772 573876369 /nfs/dbraw/zinc/87/63/69/573876369.db2.gz AWGFPCVNKVOZPE-UWVGGRQHSA-N 0 3 197.303 2.436 10 0 AEAEHN CC(C)(C)[C@H](N)c1csc(CO)c1 238176544 573876411 /nfs/dbraw/zinc/87/64/11/573876411.db2.gz DNSNBSPVOARRSI-SECBINFHSA-N 0 3 199.319 2.286 10 0 AEAEHN c1cc([C@H]2CSCCCN2)co1 87307726 573876434 /nfs/dbraw/zinc/87/64/34/573876434.db2.gz QZGLKDLASFXNNA-SECBINFHSA-N 0 3 183.276 2.047 10 0 AEAEHN CC(C)c1cccc2c1COC[C@H]2N 238165796 573876454 /nfs/dbraw/zinc/87/64/54/573876454.db2.gz QUDSABQWBLRQIC-GFCCVEGCSA-N 0 3 191.274 2.340 10 0 AEAEHN C[C@@H]1CN[C@H](c2ccoc2)CSC1 87307745 573875830 /nfs/dbraw/zinc/87/58/30/573875830.db2.gz AGGNGNNJFYTFCU-SCZZXKLOSA-N 0 3 197.303 2.293 10 0 AEAEHN C[C@@H]1CCN[C@H](c2ccoc2)CS1 87307757 573876018 /nfs/dbraw/zinc/87/60/18/573876018.db2.gz LLAXHXFWFXYRPK-SCZZXKLOSA-N 0 3 197.303 2.436 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1c(C)cnn1C 308459789 573878180 /nfs/dbraw/zinc/87/81/80/573878180.db2.gz FYVKHAYBFBHWLS-SCZZXKLOSA-N 0 3 195.310 2.165 10 0 AEAEHN C[C@@H]1CC[C@H](NCc2cnco2)[C@@H]1C 84415431 573878282 /nfs/dbraw/zinc/87/82/82/573878282.db2.gz XTXXNOIXOYOLKD-KKZNHRDASA-N 0 3 194.278 2.199 10 0 AEAEHN CCO[C@H](C)[C@H](NC)c1ccccc1 44046002 573878338 /nfs/dbraw/zinc/87/83/38/573878338.db2.gz SMAFBDBGCIAOBS-PWSUYJOCSA-N 0 3 193.290 2.372 10 0 AEAEHN C[C@@H]1CCCC[C@@H]1NCc1cnco1 84413323 573878416 /nfs/dbraw/zinc/87/84/16/573878416.db2.gz YMHPLMDJIFHZRP-KOLCDFICSA-N 0 3 194.278 2.343 10 0 AEAEHN CC[C@@H](OC)[C@H](NC)c1ccccc1 44043246 573878473 /nfs/dbraw/zinc/87/84/73/573878473.db2.gz KIRBHNXGNBMYIP-VXGBXAGGSA-N 0 3 193.290 2.372 10 0 AEAEHN CC1CCC(NCc2cnco2)CC1 84413263 573878564 /nfs/dbraw/zinc/87/85/64/573878564.db2.gz RRSPHEVUZYPMIJ-UHFFFAOYSA-N 0 3 194.278 2.343 10 0 AEAEHN CC(C)(C)[C@H](N)c1cccnc1F 238176061 573878634 /nfs/dbraw/zinc/87/86/34/573878634.db2.gz PZTTWDVQOLLJJL-MRVPVSSYSA-N 0 3 182.242 2.267 10 0 AEAEHN CC[C@@H]1CSC[C@@H](c2ccoc2)N1 87307771 573878683 /nfs/dbraw/zinc/87/86/83/573878683.db2.gz AWGFPCVNKVOZPE-ZJUUUORDSA-N 0 3 197.303 2.436 10 0 AEAEHN [NH3+][C@H]1CC[C@H](c2cccc([O-])c2F)C1 238560805 573884550 /nfs/dbraw/zinc/88/45/50/573884550.db2.gz UKWKWRZXOLZGKI-YUMQZZPRSA-N 0 3 195.237 2.126 10 0 AEAEHN Cc1ccc([C@H](F)[C@@H]2CCN2)cc1 257893550 573886039 /nfs/dbraw/zinc/88/60/39/573886039.db2.gz NTLXWNPBJFRQHG-QWRGUYRKSA-N 0 3 179.238 2.368 10 0 AEAEHN CN[C@H](c1ncc[nH]1)C1CCCCC1 87341672 573886231 /nfs/dbraw/zinc/88/62/31/573886231.db2.gz YYRBBMVLNMERFD-JTQLQIEISA-N 0 3 193.294 2.251 10 0 AEAEHN Cc1cc(Cl)c([O-])cc1CCC[NH3+] 215002861 573886252 /nfs/dbraw/zinc/88/62/52/573886252.db2.gz UXKXAIALAGWQDT-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN Cc1cc(CCC[NH3+])cc(Cl)c1[O-] 215002662 573886431 /nfs/dbraw/zinc/88/64/31/573886431.db2.gz SMRSSCCQMPTJFC-UHFFFAOYSA-N 0 3 199.681 2.245 10 0 AEAEHN CC1CCC([C@@H](N)c2ncc[nH]2)CC1 87341070 573886537 /nfs/dbraw/zinc/88/65/37/573886537.db2.gz PHARMRSJRBANGH-UDNWOFFPSA-N 0 3 193.294 2.236 10 0 AEAEHN N[C@H](CC1CC1)C(=O)CCC1CCC1 716331903 573886581 /nfs/dbraw/zinc/88/65/81/573886581.db2.gz YNNPIXFDZFDKPX-LLVKDONJSA-N 0 3 195.306 2.263 10 0 AEAEHN CN[C@@H](c1ncc[nH]1)C1CCCCC1 87341671 573890178 /nfs/dbraw/zinc/89/01/78/573890178.db2.gz YYRBBMVLNMERFD-SNVBAGLBSA-N 0 3 193.294 2.251 10 0 AEAEHN CCc1nc([C@H]2CCCN2)c(C)s1 258174243 573890198 /nfs/dbraw/zinc/89/01/98/573890198.db2.gz UOVMNSNHQVMNSC-MRVPVSSYSA-N 0 3 196.319 2.438 10 0 AEAEHN CN[C@@H](C)[C@H](F)Cc1cccc(F)c1 257893987 573890245 /nfs/dbraw/zinc/89/02/45/573890245.db2.gz UXALCXKBGNDHLR-GZMMTYOYSA-N 0 3 199.244 2.314 10 0 AEAEHN N[C@@H]1CC(=O)c2ccc(C(F)F)cc21 238562484 573890457 /nfs/dbraw/zinc/89/04/57/573890457.db2.gz CFANMOVPKIWLRR-MRVPVSSYSA-N 0 3 197.184 2.210 10 0 AEAEHN Cc1ccccc1[C@H](F)[C@H]1CCN1 257894719 573890679 /nfs/dbraw/zinc/89/06/79/573890679.db2.gz NXUUKMAJGOJSHB-MNOVXSKESA-N 0 3 179.238 2.368 10 0 AEAEHN Cc1ccccc1[C@@H](F)[C@H]1CCN1 257894717 573891555 /nfs/dbraw/zinc/89/15/55/573891555.db2.gz NXUUKMAJGOJSHB-GHMZBOCLSA-N 0 3 179.238 2.368 10 0 AEAEHN CN(C)[C@@H](CCCO)c1cccs1 259222716 573891556 /nfs/dbraw/zinc/89/15/56/573891556.db2.gz ANLNTEFIUMEAHL-VIFPVBQESA-N 0 3 199.319 2.123 10 0 AEAEHN Cc1ccccc1[C@@H](F)[C@@H]1CCN1 257894723 573890919 /nfs/dbraw/zinc/89/09/19/573890919.db2.gz NXUUKMAJGOJSHB-WDEREUQCSA-N 0 3 179.238 2.368 10 0 AEAEHN CSc1c(O)cccc1C1(N)CC1 258173705 573891079 /nfs/dbraw/zinc/89/10/79/573891079.db2.gz WARMXLKJDPZSKY-UHFFFAOYSA-N 0 3 195.287 2.062 10 0 AEAEHN CN[C@H](C)[C@H](F)Cc1cccc(F)c1 257893996 573891141 /nfs/dbraw/zinc/89/11/41/573891141.db2.gz UXALCXKBGNDHLR-LDYMZIIASA-N 0 3 199.244 2.314 10 0 AEAEHN NC1(c2cc(F)cc(F)c2F)CC1 238561901 573891219 /nfs/dbraw/zinc/89/12/19/573891219.db2.gz GTLLYPJPYWRKRR-UHFFFAOYSA-N 0 3 187.164 2.052 10 0 AEAEHN CN[C@@H]1Cc2cc(Cl)ccc21 258445321 573891299 /nfs/dbraw/zinc/89/12/99/573891299.db2.gz FJORHLXJWCIOKI-SECBINFHSA-N 0 3 167.639 2.157 10 0 AEAEHN c1c[nH]c(NC2CCCCC2)n1 84428234 573891310 /nfs/dbraw/zinc/89/13/10/573891310.db2.gz BLESWAVMRUFJLJ-UHFFFAOYSA-N 0 3 165.240 2.154 10 0 AEAEHN N[C@@H]1CC(=O)c2c(C(F)F)cccc21 238561896 573891344 /nfs/dbraw/zinc/89/13/44/573891344.db2.gz CPAUJFKKUJDDQA-SSDOTTSWSA-N 0 3 197.184 2.210 10 0 AEAEHN CN[C@@H](O)c1ccc(CC(C)C)cc1 259227803 573898750 /nfs/dbraw/zinc/89/87/50/573898750.db2.gz GHXHCZCQBTWJTC-LBPRGKRZSA-N 0 3 193.290 2.095 10 0 AEAEHN CC(C)(C)[C@H](N)c1cccc(F)n1 238175547 573899079 /nfs/dbraw/zinc/89/90/79/573899079.db2.gz FFPQTZVHCFOTIM-SECBINFHSA-N 0 3 182.242 2.267 10 0 AEAEHN CC(C)(C)[C@H](N)c1cccc(F)c1N 238175499 573899175 /nfs/dbraw/zinc/89/91/75/573899175.db2.gz ZERGFAAGRRJZSZ-SNVBAGLBSA-N 0 3 196.269 2.454 10 0 AEAEHN CN[C@@H](C)c1cccc2c1O[C@H](C)C2 258175721 573899275 /nfs/dbraw/zinc/89/92/75/573899275.db2.gz SLHUMQKDXRYUCI-BDAKNGLRSA-N 0 3 191.274 2.290 10 0 AEAEHN NC1(c2ccccc2F)CC(F)C1 257902741 573901072 /nfs/dbraw/zinc/90/10/72/573901072.db2.gz PEPLUVJQWUSHLE-UHFFFAOYSA-N 0 3 183.201 2.112 10 0 AEAEHN CC(C)[C@H]1NCCN1c1ccccc1 238175753 573901593 /nfs/dbraw/zinc/90/15/93/573901593.db2.gz RQKRLDLYJOPBSW-LBPRGKRZSA-N 0 3 190.290 2.078 10 0 AEAEHN C[C@](F)(c1ccc(F)cc1)[C@@H]1CCN1 257902875 573901745 /nfs/dbraw/zinc/90/17/45/573901745.db2.gz ZAQOHEMSOFLTEH-QWRGUYRKSA-N 0 3 197.228 2.372 10 0 AEAEHN NC[C@@](F)(Cc1ccccc1)C1CC1 127447458 573902848 /nfs/dbraw/zinc/90/28/48/573902848.db2.gz WRUNCAJIQCDAQM-LBPRGKRZSA-N 0 3 193.265 2.306 10 0 AEAEHN CCCNCC(=O)c1ccc(F)cc1 41612178 573902947 /nfs/dbraw/zinc/90/29/47/573902947.db2.gz IHSVMYRGHMLWNI-UHFFFAOYSA-N 0 3 195.237 2.008 10 0 AEAEHN COc1cc(C)c(C)cc1CN(C)C 259230988 573903052 /nfs/dbraw/zinc/90/30/52/573903052.db2.gz BLBNTPCFIYPHNH-UHFFFAOYSA-N 0 3 193.290 2.374 10 0 AEAEHN COc1ccc(S[C@@H](C)N)c(C)c1 259225553 573903149 /nfs/dbraw/zinc/90/31/49/573903149.db2.gz MUKXISSPOGKDCN-QMMMGPOBSA-N 0 3 197.303 2.400 10 0 AEAEHN Cc1nc(CN[C@@H]2C[C@@H]2C)sc1C 87375922 573903284 /nfs/dbraw/zinc/90/32/84/573903284.db2.gz PRUGMKOHZRVSSG-IMTBSYHQSA-N 0 3 196.319 2.258 10 0 AEAEHN CN[C@H](C)c1ccnn1C1CCCC1 257896047 573903408 /nfs/dbraw/zinc/90/34/08/573903408.db2.gz XXZNPNMPERZXHM-SECBINFHSA-N 0 3 193.294 2.279 10 0 AEAEHN Cc1nc2ccc(NC3CC3)cc2[nH]1 76632525 573907097 /nfs/dbraw/zinc/90/70/97/573907097.db2.gz UICBKHWQLOBLPY-UHFFFAOYSA-N 0 3 187.246 2.446 10 0 AEAEHN NC1(c2ccc3ccccc3c2)COC1 259232675 573907261 /nfs/dbraw/zinc/90/72/61/573907261.db2.gz MNDHSEGFPGVIND-UHFFFAOYSA-N 0 3 199.253 2.024 10 0 AEAEHN C[C@@]1(c2ccccc2)C[C@@H](F)CN1 259001270 573907526 /nfs/dbraw/zinc/90/75/26/573907526.db2.gz WWTSRYZAKOZAGL-MNOVXSKESA-N 0 3 179.238 2.233 10 0 AEAEHN CC(C)[C@H](N)c1ccoc1F 238182521 573913587 /nfs/dbraw/zinc/91/35/87/573913587.db2.gz DDBZDEUNVICEBB-ZETCQYMHSA-N 0 3 157.188 2.075 10 0 AEAEHN CC(C)c1nn(C2CCC2)cc1CN 716389095 573913820 /nfs/dbraw/zinc/91/38/20/573913820.db2.gz DLAWDCXKXQGFIZ-UHFFFAOYSA-N 0 3 193.294 2.190 10 0 AEAEHN C[C@H]1CN[C@@H](C2(C)CCC2)SC1 686131799 573913876 /nfs/dbraw/zinc/91/38/76/573913876.db2.gz KBPLTJFNZHCVDD-DTWKUNHWSA-N 0 3 185.336 2.475 10 0 AEAEHN Oc1ccc2c(c1)[C@@H](NC1CC1)CC2 257898196 573914035 /nfs/dbraw/zinc/91/40/35/573914035.db2.gz YIIKTADFTCHALS-LBPRGKRZSA-N 0 3 189.258 2.132 10 0 AEAEHN C[C@]1(c2ccccc2)C[C@H](F)CN1 259002412 573914152 /nfs/dbraw/zinc/91/41/52/573914152.db2.gz WWTSRYZAKOZAGL-WDEREUQCSA-N 0 3 179.238 2.233 10 0 AEAEHN C/C=C\CN1CCSCC1(C)C 388454734 573914250 /nfs/dbraw/zinc/91/42/50/573914250.db2.gz ZKUXBSCHBGRRFG-PLNGDYQASA-N 0 3 185.336 2.390 10 0 AEAEHN C[C@H]1CN[C@H](C2(C)CCC2)SC1 686131802 573914304 /nfs/dbraw/zinc/91/43/04/573914304.db2.gz KBPLTJFNZHCVDD-IUCAKERBSA-N 0 3 185.336 2.475 10 0 AEAEHN CN(C)Cc1cc2c(O)cccc2o1 257897751 573914307 /nfs/dbraw/zinc/91/43/07/573914307.db2.gz AQASLYIKALYOGZ-UHFFFAOYSA-N 0 3 191.230 2.200 10 0 AEAEHN Oc1cccc(S[C@H]2CCCN2)c1 257898236 573914459 /nfs/dbraw/zinc/91/44/59/573914459.db2.gz YJPSBCGRJYWZFR-JTQLQIEISA-N 0 3 195.287 2.194 10 0 AEAEHN NC[C@]1(F)CCc2cc(Cl)ccc21 257897240 573914490 /nfs/dbraw/zinc/91/44/90/573914490.db2.gz VIUYNTZSHPZIMC-SNVBAGLBSA-N 0 3 199.656 2.410 10 0 AEAEHN CC(C)[C@H](N)c1coc(F)c1 238184436 573914557 /nfs/dbraw/zinc/91/45/57/573914557.db2.gz GTUDHCHIVIMDDD-QMMMGPOBSA-N 0 3 157.188 2.075 10 0 AEAEHN CC(C)[C@H](N)c1nc(F)ccc1F 238185395 573915035 /nfs/dbraw/zinc/91/50/35/573915035.db2.gz FCSITESKIGDTAP-QMMMGPOBSA-N 0 3 186.205 2.016 10 0 AEAEHN NC[C@@]1(F)CCc2cc(Cl)ccc21 257897236 573915066 /nfs/dbraw/zinc/91/50/66/573915066.db2.gz VIUYNTZSHPZIMC-JTQLQIEISA-N 0 3 199.656 2.410 10 0 AEAEHN C[C@H]([NH3+])c1coc2cccc([O-])c12 257897867 573915187 /nfs/dbraw/zinc/91/51/87/573915187.db2.gz LYAMMPIKOZJDDQ-LURJTMIESA-N 0 3 177.203 2.158 10 0 AEAEHN CCC[C@@H](C)[C@H](N)c1ccnn1CC 127575576 573926475 /nfs/dbraw/zinc/92/64/75/573926475.db2.gz DHIBFXXFSWDJBZ-KOLCDFICSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@H](c1ccc2ncoc2c1)N(C)C 259242602 573926492 /nfs/dbraw/zinc/92/64/92/573926492.db2.gz ROKRNALLGNYBBA-MRVPVSSYSA-N 0 3 190.246 2.450 10 0 AEAEHN CC1=NC[C@@H](c2ccc(CO)cc2)C1 238188138 573926542 /nfs/dbraw/zinc/92/65/42/573926542.db2.gz FOYGGGJXHFBTGK-LBPRGKRZSA-N 0 3 189.258 2.127 10 0 AEAEHN CC(C)[C@H](C)CN1CCC(=O)C[C@H]1C 81065300 573926636 /nfs/dbraw/zinc/92/66/36/573926636.db2.gz QFIVJIIUVXNJFN-GHMZBOCLSA-N 0 3 197.322 2.332 10 0 AEAEHN NC[C@@H]1CC(CC2CCCCC2)=NO1 87474358 573926843 /nfs/dbraw/zinc/92/68/43/573926843.db2.gz HEDWFSHYJZBBAZ-NSHDSACASA-N 0 3 196.294 2.060 10 0 AEAEHN CCCCC[C@H](N)c1ccnn1CC 127595334 573926906 /nfs/dbraw/zinc/92/69/06/573926906.db2.gz ZOXOTRJGUWFNQE-JTQLQIEISA-N 0 3 195.310 2.483 10 0 AEAEHN CC(C)[C@@H](C)CNc1nccn1C 81070455 573926999 /nfs/dbraw/zinc/92/69/99/573926999.db2.gz XNCWCBLWHUIQFI-VIFPVBQESA-N 0 3 181.283 2.124 10 0 AEAEHN CCC[C@H](C)[C@@H](N)c1ccnn1CC 127576225 573927064 /nfs/dbraw/zinc/92/70/64/573927064.db2.gz DHIBFXXFSWDJBZ-GXSJLCMTSA-N 0 3 195.310 2.339 10 0 AEAEHN C[C@@H]1CNC[C@H](CC2CCCCC2)O1 87474472 573927115 /nfs/dbraw/zinc/92/71/15/573927115.db2.gz FGJUHRVBQMJNCU-PWSUYJOCSA-N 0 3 197.322 2.334 10 0 AEAEHN CCCCNCc1cnoc1C1CC1 585364253 573934091 /nfs/dbraw/zinc/93/40/91/573934091.db2.gz IRGUONHLYVGXTH-UHFFFAOYSA-N 0 3 194.278 2.442 10 0 AEAEHN CC(C)Cc1c(CN)cnn1C(C)C 257905304 573934314 /nfs/dbraw/zinc/93/43/14/573934314.db2.gz ZIVNECIUXHBLKB-UHFFFAOYSA-N 0 3 195.310 2.121 10 0 AEAEHN CCC1([C@@H]2CNCC(C)(C)O2)CCC1 686132332 573934362 /nfs/dbraw/zinc/93/43/62/573934362.db2.gz ILNHCZVFSGYNFM-JTQLQIEISA-N 0 3 197.322 2.334 10 0 AEAEHN CCOC[C@H](NC)c1cc(C)oc1C 131761546 573938042 /nfs/dbraw/zinc/93/80/42/573938042.db2.gz MOLRPCUEJADNJY-NSHDSACASA-N 0 3 197.278 2.193 10 0 AEAEHN NCc1cc(Cc2ccccc2)c[nH]1 259244644 573937633 /nfs/dbraw/zinc/93/76/33/573937633.db2.gz QAPCXSLDRBAHJA-UHFFFAOYSA-N 0 3 186.258 2.064 10 0 AEAEHN CCC(CC)n1ncc(CN)c1C 42356070 573940658 /nfs/dbraw/zinc/94/06/58/573940658.db2.gz QGPHCXYWKKBJSN-UHFFFAOYSA-N 0 3 181.283 2.011 10 0 AEAEHN CC(C)(C)Oc1ccc(CN)c(F)c1 87542649 573941226 /nfs/dbraw/zinc/94/12/26/573941226.db2.gz ZXVPBHSRYQPGCU-UHFFFAOYSA-N 0 3 197.253 2.462 10 0 AEAEHN C[NH2+]Cc1cc2c([O-])cccc2s1 257906414 573941432 /nfs/dbraw/zinc/94/14/32/573941432.db2.gz BPMKIUSGFKZCAK-UHFFFAOYSA-N 0 3 193.271 2.326 10 0 AEAEHN CNCc1nc(C)c(CC(C)(C)C)[nH]1 308467350 573941719 /nfs/dbraw/zinc/94/17/19/573941719.db2.gz IGYCNTXNJNOBHR-UHFFFAOYSA-N 0 3 195.310 2.026 10 0 AEAEHN CNCc1nc(CC(C)(C)C)c(C)[nH]1 308467350 573941725 /nfs/dbraw/zinc/94/17/25/573941725.db2.gz IGYCNTXNJNOBHR-UHFFFAOYSA-N 0 3 195.310 2.026 10 0 AEAEHN CC(C)Oc1ccc(CN)c(F)c1 87542599 573941764 /nfs/dbraw/zinc/94/17/64/573941764.db2.gz OMWZDSLFLKRHMO-UHFFFAOYSA-N 0 3 183.226 2.072 10 0 AEAEHN Cc1c(CNC2CC2)cnn1C(C)C 42355949 573941767 /nfs/dbraw/zinc/94/17/67/573941767.db2.gz CIKDWHMHDNRBHW-UHFFFAOYSA-N 0 3 193.294 2.024 10 0 AEAEHN CC(C)[C@@H]1CNCc2cccc(O)c21 258186448 573946108 /nfs/dbraw/zinc/94/61/08/573946108.db2.gz MXABRZQJMBQJNS-JTQLQIEISA-N 0 3 191.274 2.235 10 0 AEAEHN CC1([C@@H](N)c2cncc(F)c2)CC1 87550505 573946313 /nfs/dbraw/zinc/94/63/13/573946313.db2.gz YXQLVUOVQHHHGI-VIFPVBQESA-N 0 3 180.226 2.021 10 0 AEAEHN CN[C@H](c1ccco1)C1(C)CC1 87552108 573947627 /nfs/dbraw/zinc/94/76/27/573947627.db2.gz FUDGPUAXZITEKP-SECBINFHSA-N 0 3 165.236 2.340 10 0 AEAEHN CCCCCC[C@H](N)c1ccnn1C 127664505 573947630 /nfs/dbraw/zinc/94/76/30/573947630.db2.gz FXVODIRRLHAAIA-JTQLQIEISA-N 0 3 195.310 2.390 10 0 AEAEHN CCCC[C@@H](N)c1cncs1 87573985 573947802 /nfs/dbraw/zinc/94/78/02/573947802.db2.gz JFFLAKTVICIKPU-SSDOTTSWSA-N 0 3 170.281 2.333 10 0 AEAEHN N[C@H](CC1CCC1)c1cncs1 87573956 573947847 /nfs/dbraw/zinc/94/78/47/573947847.db2.gz IWGJFJQKYYOLGF-MRVPVSSYSA-N 0 3 182.292 2.333 10 0 AEAEHN C[C@H](N)[C@@H](F)Cc1ccccc1F 257907666 573947883 /nfs/dbraw/zinc/94/78/83/573947883.db2.gz PXEROZYNZWYGCZ-XVKPBYJWSA-N 0 3 185.217 2.054 10 0 AEAEHN C[C@](F)(CN)CSc1ccccc1 257913642 573947892 /nfs/dbraw/zinc/94/78/92/573947892.db2.gz XGRBSEVESDKKHA-JTQLQIEISA-N 0 3 199.294 2.466 10 0 AEAEHN CCCCCC[C@@H](N)c1ccnn1C 127664720 573948196 /nfs/dbraw/zinc/94/81/96/573948196.db2.gz FXVODIRRLHAAIA-SNVBAGLBSA-N 0 3 195.310 2.390 10 0 AEAEHN NCc1sccc1-c1ccoc1 87576265 573951840 /nfs/dbraw/zinc/95/18/40/573951840.db2.gz HJEDMXGZDASAEB-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN CCC[C@H](NC)c1cncs1 87574365 573951901 /nfs/dbraw/zinc/95/19/01/573951901.db2.gz INGMXZYGEOOEOI-ZETCQYMHSA-N 0 3 170.281 2.204 10 0 AEAEHN CCCCC[C@@H](N)c1ccnn1C 127690725 573952134 /nfs/dbraw/zinc/95/21/34/573952134.db2.gz WPYWJDYRLVZSKT-SECBINFHSA-N 0 3 181.283 2.000 10 0 AEAEHN Cc1ccc2noc([C@H](C)N)c2c1 257915652 573952200 /nfs/dbraw/zinc/95/22/00/573952200.db2.gz QTTOLAASMRIGOC-ZETCQYMHSA-N 0 3 176.219 2.156 10 0 AEAEHN C[C@H](N)c1cnc(CC2CC2)s1 87583256 573952261 /nfs/dbraw/zinc/95/22/61/573952261.db2.gz GDZKKKGGEUBEOL-LURJTMIESA-N 0 3 182.292 2.115 10 0 AEAEHN Cc1nc(CC2CC2)sc1[C@H](C)N 87583214 573952331 /nfs/dbraw/zinc/95/23/31/573952331.db2.gz ZPULPWPPOQFILI-LURJTMIESA-N 0 3 196.319 2.424 10 0 AEAEHN C[C@@H](N)c1cnc(CC2CC2)s1 87583259 573955410 /nfs/dbraw/zinc/95/54/10/573955410.db2.gz GDZKKKGGEUBEOL-ZCFIWIBFSA-N 0 3 182.292 2.115 10 0 AEAEHN CCNCc1cc2cc(O)ccc2o1 257911771 573955489 /nfs/dbraw/zinc/95/54/89/573955489.db2.gz CDCRHCPRRBAQBC-UHFFFAOYSA-N 0 3 191.230 2.248 10 0 AEAEHN C[C@@H](N)c1coc(CC(C)(C)C)n1 258189042 573955534 /nfs/dbraw/zinc/95/55/34/573955534.db2.gz SLPYPYNOWASXKK-SSDOTTSWSA-N 0 3 182.267 2.283 10 0 AEAEHN CC[C@H](C)[C@@H](N)c1cncs1 87574121 573955645 /nfs/dbraw/zinc/95/56/45/573955645.db2.gz UDVVMLWUYWJSGL-POYBYMJQSA-N 0 3 170.281 2.189 10 0 AEAEHN NCc1sccc1-c1ccco1 87576266 573955718 /nfs/dbraw/zinc/95/57/18/573955718.db2.gz MZJGGMBRVKSTRQ-UHFFFAOYSA-N 0 3 179.244 2.467 10 0 AEAEHN NCc1sccc1-c1cccnc1 87576222 573955989 /nfs/dbraw/zinc/95/59/89/573955989.db2.gz VSBKRBRRCBEAMH-UHFFFAOYSA-N 0 3 190.271 2.269 10 0 AEAEHN C[C@@H](N)c1csc(CC2CC2)n1 87583275 573956008 /nfs/dbraw/zinc/95/60/08/573956008.db2.gz AJJVOYDPWSSDEZ-ZCFIWIBFSA-N 0 3 182.292 2.115 10 0 AEAEHN Cc1nc(CC2CC2)sc1[C@@H](C)N 87583212 573956039 /nfs/dbraw/zinc/95/60/39/573956039.db2.gz ZPULPWPPOQFILI-ZCFIWIBFSA-N 0 3 196.319 2.424 10 0 AEAEHN CN[C@H](c1cncs1)C(C)(C)C 87574325 573956050 /nfs/dbraw/zinc/95/60/50/573956050.db2.gz DGDAYYPOVFEXTO-MRVPVSSYSA-N 0 3 184.308 2.450 10 0 AEAEHN Cc1cc(C=O)c([C@H](C)N)cc1C 257913169 573963238 /nfs/dbraw/zinc/96/32/38/573963238.db2.gz AZSFGNJRHQNPJJ-VIFPVBQESA-N 0 3 177.247 2.136 10 0 AEAEHN CCCc1ccc(CNCOC)cc1 259251445 573963743 /nfs/dbraw/zinc/96/37/43/573963743.db2.gz ZYBLHZFTLBAKSX-UHFFFAOYSA-N 0 3 193.290 2.333 10 0 AEAEHN CC(C)C[C@H](C)[C@@H](N)c1nccn1C 308471885 573963945 /nfs/dbraw/zinc/96/39/45/573963945.db2.gz JOUONMFGAHLUOL-VHSXEESVSA-N 0 3 195.310 2.102 10 0 AEAEHN CCC[C@@H]1C[C@]1(N)c1cscn1 87596129 573966205 /nfs/dbraw/zinc/96/62/05/573966205.db2.gz VHHNDYICPJDSIS-VXNVDRBHSA-N 0 3 182.292 2.117 10 0 AEAEHN CC[C@H](C)[C@@H](NC)c1cscn1 87595001 573965676 /nfs/dbraw/zinc/96/56/76/573965676.db2.gz JKUPLJOBKAZDJP-IONNQARKSA-N 0 3 184.308 2.450 10 0 AEAEHN CC(C)c1cccc2c1[C@H](N)COC2 238219172 573965720 /nfs/dbraw/zinc/96/57/20/573965720.db2.gz OGOGWAIUJIUPHQ-LLVKDONJSA-N 0 3 191.274 2.340 10 0 AEAEHN CCC[C@@H]1C[C@@]1(N)c1cscn1 87596133 573965891 /nfs/dbraw/zinc/96/58/91/573965891.db2.gz VHHNDYICPJDSIS-APPZFPTMSA-N 0 3 182.292 2.117 10 0 AEAEHN CC(C)c1cccc2c1[C@@H](N)COC2 238219189 573966027 /nfs/dbraw/zinc/96/60/27/573966027.db2.gz OGOGWAIUJIUPHQ-NSHDSACASA-N 0 3 191.274 2.340 10 0 AEAEHN CCC[C@H]1C[C@@]1(N)c1cscn1 87596135 573966046 /nfs/dbraw/zinc/96/60/46/573966046.db2.gz VHHNDYICPJDSIS-CBAPKCEASA-N 0 3 182.292 2.117 10 0 AEAEHN CN(C)[C@H](c1cccs1)C(C)(C)O 259588293 573966275 /nfs/dbraw/zinc/96/62/75/573966275.db2.gz QCFYOZVXLSKINR-SECBINFHSA-N 0 3 199.319 2.122 10 0 AEAEHN C[C@H]1CS[C@@](C)(C2(C)CC2)N1 87603307 573977029 /nfs/dbraw/zinc/97/70/29/573977029.db2.gz AZRLXHVRTTZUPB-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN CSc1cc(F)c(CN)cc1F 258194306 573976509 /nfs/dbraw/zinc/97/65/09/573976509.db2.gz XRPCTGLGMXUSRG-UHFFFAOYSA-N 0 3 189.230 2.145 10 0 AEAEHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1cc[nH]n1 42554361 573976903 /nfs/dbraw/zinc/97/69/03/573976903.db2.gz UGDHEHMMWZBHQR-AEJSXWLSSA-N 0 3 195.310 2.495 10 0 AEAEHN CN[C@@H](CCSC)c1ccccn1 259254172 573976996 /nfs/dbraw/zinc/97/69/96/573976996.db2.gz UBOWDGCDDHPNDB-VIFPVBQESA-N 0 3 196.319 2.095 10 0 AEAEHN C[C@H]1CCSC2(CCCC2)N1 87603916 573984065 /nfs/dbraw/zinc/98/40/65/573984065.db2.gz NSEBWBANTRRYLV-QMMMGPOBSA-N 0 3 171.309 2.372 10 0 AEAEHN C[C@H]1CCC[C@]12NCCCS2 87603770 573984076 /nfs/dbraw/zinc/98/40/76/573984076.db2.gz WUVWZDODPDNGCI-DTWKUNHWSA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@]1(C2CC2)NC[C@H](C)CS1 87604637 573984084 /nfs/dbraw/zinc/98/40/84/573984084.db2.gz YVGVSUVIYMYMGG-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@H]1CCC[C@@]12NCCCS2 87603768 573984171 /nfs/dbraw/zinc/98/41/71/573984171.db2.gz WUVWZDODPDNGCI-IUCAKERBSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@@H]1CCN[C@](C)(C2CC2)S1 87605253 573984201 /nfs/dbraw/zinc/98/42/01/573984201.db2.gz DPLWHJTWSKGPPW-APPZFPTMSA-N 0 3 171.309 2.228 10 0 AEAEHN CC[C@]1(C(C)C)NCCCS1 87603757 573984220 /nfs/dbraw/zinc/98/42/20/573984220.db2.gz BVRKEFQDDOOBSX-VIFPVBQESA-N 0 3 173.325 2.475 10 0 AEAEHN CC(C)[C@]1(C)NC[C@H](C)CS1 87604778 573984253 /nfs/dbraw/zinc/98/42/53/573984253.db2.gz PMLSZNOTBQBJMI-DTWKUNHWSA-N 0 3 173.325 2.331 10 0 AEAEHN C[C@@H]1CN[C@@](C)(C2(C)CC2)SC1 87604599 573984367 /nfs/dbraw/zinc/98/43/67/573984367.db2.gz JGSSGESXNFBBML-PSASIEDQSA-N 0 3 185.336 2.475 10 0 AEAEHN C[C@@H]1CNC2(CCCC2)SC1 87604394 573984401 /nfs/dbraw/zinc/98/44/01/573984401.db2.gz KLWSUHPYVAASIF-MRVPVSSYSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@H]1CCN[C@](C)(C2CC2)S1 87605254 573984468 /nfs/dbraw/zinc/98/44/68/573984468.db2.gz DPLWHJTWSKGPPW-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN CC(C)[C@]1(C)NCC[C@@H](C)S1 87605255 573984475 /nfs/dbraw/zinc/98/44/75/573984475.db2.gz POQZJWVOYHJQGU-RKDXNWHRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC(C)[C@@]1(C)N[C@H](C)CCS1 87604299 573984519 /nfs/dbraw/zinc/98/45/19/573984519.db2.gz MQGJUYQOIXTPGX-BDAKNGLRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@]1(C)NC[C@H](C)CS1 87604573 573984559 /nfs/dbraw/zinc/98/45/59/573984559.db2.gz RGIRZCZVTDFDQF-JGVFFNPUSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@]1(C2CC2)NCCCS1 87603745 573984582 /nfs/dbraw/zinc/98/45/82/573984582.db2.gz WGYDLUPGSXVBJH-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN CC[C@]1(C)NCC[C@H](C)S1 87605051 573984621 /nfs/dbraw/zinc/98/46/21/573984621.db2.gz YXALMOHNETUBDJ-JGVFFNPUSA-N 0 3 159.298 2.228 10 0 AEAEHN N[C@@H](c1cccc(Cl)n1)C1CC1 104450605 573984628 /nfs/dbraw/zinc/98/46/28/573984628.db2.gz ZEEMQZKYBGMBDJ-SECBINFHSA-N 0 3 182.654 2.145 10 0 AEAEHN C[C@@H]1CCC[C@@]12NCCCS2 87603767 573984629 /nfs/dbraw/zinc/98/46/29/573984629.db2.gz WUVWZDODPDNGCI-BDAKNGLRSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@@H]1CCS[C@](C)(C2CC2)N1 87604297 573984647 /nfs/dbraw/zinc/98/46/47/573984647.db2.gz BSCFYJGFPUWQNG-VXNVDRBHSA-N 0 3 171.309 2.228 10 0 AEAEHN CCC1(CC)NC[C@H](C)CS1 87604693 573984655 /nfs/dbraw/zinc/98/46/55/573984655.db2.gz FEFCKZIBPWNJTN-QMMMGPOBSA-N 0 3 173.325 2.475 10 0 AEAEHN C[C@H]1CCS[C@@](C)(C2CC2)N1 87604296 573984664 /nfs/dbraw/zinc/98/46/64/573984664.db2.gz BSCFYJGFPUWQNG-CBAPKCEASA-N 0 3 171.309 2.228 10 0 AEAEHN CCC[C@@]1(C)NC[C@@H](C)CS1 87604606 573984719 /nfs/dbraw/zinc/98/47/19/573984719.db2.gz GEKQEEOQWKFOJX-BDAKNGLRSA-N 0 3 173.325 2.475 10 0 AEAEHN C[C@@H]1CN[C@](C)(C2(C)CC2)SC1 87604601 573984834 /nfs/dbraw/zinc/98/48/34/573984834.db2.gz JGSSGESXNFBBML-SCZZXKLOSA-N 0 3 185.336 2.475 10 0 AEAEHN CC(C)[C@@]1(C)NCC[C@@H](C)S1 87605257 573984865 /nfs/dbraw/zinc/98/48/65/573984865.db2.gz POQZJWVOYHJQGU-BDAKNGLRSA-N 0 3 173.325 2.474 10 0 AEAEHN CC[C@@]1(C2CC2)NCCCS1 87603746 573984875 /nfs/dbraw/zinc/98/48/75/573984875.db2.gz WGYDLUPGSXVBJH-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@H]1CNC2(CCCC2)SC1 87604395 573984908 /nfs/dbraw/zinc/98/49/08/573984908.db2.gz KLWSUHPYVAASIF-QMMMGPOBSA-N 0 3 171.309 2.229 10 0 AEAEHN C[C@H]1CN[C@](C)(C2(C)CC2)SC1 87604602 573984017 /nfs/dbraw/zinc/98/40/17/573984017.db2.gz JGSSGESXNFBBML-WPRPVWTQSA-N 0 3 185.336 2.475 10 0 AEAEHN Cc1nc(F)ccc1[C@@H]1CCCCN1 104453560 573985633 /nfs/dbraw/zinc/98/56/33/573985633.db2.gz ZBBHQHWHRMRXNR-JTQLQIEISA-N 0 3 194.253 2.344 10 0 AEAEHN CC[C@@]1(C)N[C@@H](C)CCS1 87604098 573985031 /nfs/dbraw/zinc/98/50/31/573985031.db2.gz JYQRQSYXCRAGOP-YUMQZZPRSA-N 0 3 159.298 2.228 10 0 AEAEHN CCC1(CC)NCCCS1 87603792 573985118 /nfs/dbraw/zinc/98/51/18/573985118.db2.gz GNHZVTPJKVZJAZ-UHFFFAOYSA-N 0 3 159.298 2.229 10 0 AEAEHN C[C@H]1CCN[C@@](C)(C2CC2)S1 87605252 573985224 /nfs/dbraw/zinc/98/52/24/573985224.db2.gz DPLWHJTWSKGPPW-IONNQARKSA-N 0 3 171.309 2.228 10 0 AEAEHN C[C@@H]1CCC[C@]12NCCCS2 87603769 573985371 /nfs/dbraw/zinc/98/53/71/573985371.db2.gz WUVWZDODPDNGCI-RKDXNWHRSA-N 0 3 171.309 2.229 10 0 AEAEHN CCC[C@H]1N[C@@H](C)CC(C)(C)N1C 238233480 573991283 /nfs/dbraw/zinc/99/12/83/573991283.db2.gz IQDALTRLOGNDNZ-UWVGGRQHSA-N 0 3 184.327 2.205 10 0 AEAEHN Cc1noc2cc(CN)c(Cl)cc12 259260559 573995645 /nfs/dbraw/zinc/99/56/45/573995645.db2.gz BBNYWXYWUINBBP-UHFFFAOYSA-N 0 3 196.637 2.248 10 0 AEAEHN CSc1ccc2c(c1)OCC[C@@H]2N 104478685 574001574 /nfs/dbraw/zinc/00/15/74/574001574.db2.gz FJNJSULXQCKPPV-VIFPVBQESA-N 0 3 195.287 2.191 10 0 AEAEHN CCC(C)(C)[C@H](NC)c1cnccn1 128098749 574001580 /nfs/dbraw/zinc/00/15/80/574001580.db2.gz XCGCNSOXFRTSKU-SNVBAGLBSA-N 0 3 193.294 2.173 10 0 AEAEHN C[C@@H](N)c1ccnc(Cl)c1Cl 104488493 574005542 /nfs/dbraw/zinc/00/55/42/574005542.db2.gz GOVLFNYUCOPNMG-SCSAIBSYSA-N 0 3 191.061 2.408 10 0 AEAEHN c1cc(NC[C@H]2CCCS2)ccn1 87669636 574008057 /nfs/dbraw/zinc/00/80/57/574008057.db2.gz ZIRMUAQNXSXTRM-SNVBAGLBSA-N 0 3 194.303 2.389 10 0 AEAEHN COc1c([C@@H](C)N)cc(C)c(C)c1O 258203219 574008086 /nfs/dbraw/zinc/00/80/86/574008086.db2.gz YPUVIOXORGJXHM-MRVPVSSYSA-N 0 3 195.262 2.037 10 0 AEAEHN Cc1c(Cl)cccc1[C@@H](N)[C@H](C)O 104489361 574007700 /nfs/dbraw/zinc/00/77/00/574007700.db2.gz ZBGMXBVPJCMLOX-XVKPBYJWSA-N 0 3 199.681 2.029 10 0 AEAEHN COC[C@H](N)c1ccc(Cl)cc1C 104492661 574007781 /nfs/dbraw/zinc/00/77/81/574007781.db2.gz WJRGMWUBCLDAMC-JTQLQIEISA-N 0 3 199.681 2.295 10 0 AEAEHN COC[C@@H](N)c1ccc(Cl)cc1C 104492656 574007812 /nfs/dbraw/zinc/00/78/12/574007812.db2.gz WJRGMWUBCLDAMC-SNVBAGLBSA-N 0 3 199.681 2.295 10 0 AEAEHN CC1=CNC=N[C@H]1c1cccs1 238246106 574008717 /nfs/dbraw/zinc/00/87/17/574008717.db2.gz VUOYFMDSMQNPCT-SECBINFHSA-N 0 3 178.260 2.325 10 0 AEAEHN COC[C@H](N)c1ccc(C)c(Cl)c1 104492679 574008147 /nfs/dbraw/zinc/00/81/47/574008147.db2.gz JANJKYYRMAQRCI-JTQLQIEISA-N 0 3 199.681 2.295 10 0 AEAEHN c1cc(NC[C@@H]2CCCS2)ccn1 87669635 574008217 /nfs/dbraw/zinc/00/82/17/574008217.db2.gz ZIRMUAQNXSXTRM-JTQLQIEISA-N 0 3 194.303 2.389 10 0 AEAEHN CCC[C@H](N)c1ccc(F)nc1F 104494239 574008240 /nfs/dbraw/zinc/00/82/40/574008240.db2.gz IVICPGULSUWDCG-ZETCQYMHSA-N 0 3 186.205 2.160 10 0 AEAEHN COC[C@@H](N)c1cccc(Cl)c1C 104494073 574008311 /nfs/dbraw/zinc/00/83/11/574008311.db2.gz JYVPBVRIIGZUDD-SNVBAGLBSA-N 0 3 199.681 2.295 10 0 AEAEHN COc1c([C@@H]2CCN2)ccc(F)c1F 104490924 574008442 /nfs/dbraw/zinc/00/84/42/574008442.db2.gz HRPMPMAUOATDFZ-QMMMGPOBSA-N 0 3 199.200 2.008 10 0 AEAEHN CC1=CNC=N[C@@H]1c1ccccc1 238246063 574008483 /nfs/dbraw/zinc/00/84/83/574008483.db2.gz LVTVJSUWJYWCTD-NSHDSACASA-N 0 3 172.231 2.263 10 0 AEAEHN Cc1c(Cl)cccc1[C@H](N)[C@@H](C)O 104489342 574008490 /nfs/dbraw/zinc/00/84/90/574008490.db2.gz ZBGMXBVPJCMLOX-GMSGAONNSA-N 0 3 199.681 2.029 10 0 AEAEHN CCC[C@H](N)c1ccc(Cl)nc1N 238246955 574008546 /nfs/dbraw/zinc/00/85/46/574008546.db2.gz PMUBSBOCPYCCJD-ZETCQYMHSA-N 0 3 199.685 2.117 10 0 AEAEHN N[C@H](CC1CC1)c1ccc(F)nc1F 104504076 574018573 /nfs/dbraw/zinc/01/85/73/574018573.db2.gz IVMAMZQVUAJGMK-MRVPVSSYSA-N 0 3 198.216 2.160 10 0 AEAEHN CC[C@@H](N)c1cnccc1Cl 104507754 574018835 /nfs/dbraw/zinc/01/88/35/574018835.db2.gz MIRDHJNSUOAGFU-MRVPVSSYSA-N 0 3 170.643 2.145 10 0 AEAEHN CCN[C@@H](COCC)c1ccc(C)o1 131803079 574018903 /nfs/dbraw/zinc/01/89/03/574018903.db2.gz APDICZQLYDGDBU-JTQLQIEISA-N 0 3 197.278 2.275 10 0 AEAEHN Cc1cc(F)ncc1[C@@H]1CCCCN1 104505935 574020449 /nfs/dbraw/zinc/02/04/49/574020449.db2.gz FGZQDPWFLDEROE-JTQLQIEISA-N 0 3 194.253 2.344 10 0 AEAEHN Fc1ccc([C@H]2CCCCN2)c(F)n1 104504763 574020472 /nfs/dbraw/zinc/02/04/72/574020472.db2.gz DACPVYBUOBHDTM-MRVPVSSYSA-N 0 3 198.216 2.174 10 0 AEAEHN CN[C@H](c1ccco1)[C@H]1CCCS1 87712062 574020640 /nfs/dbraw/zinc/02/06/40/574020640.db2.gz UVXMYVATHVSMRF-NXEZZACHSA-N 0 3 197.303 2.436 10 0 AEAEHN [NH3+][C@@H]1CCCc2c([O-])c(F)cc(F)c21 104506728 574020649 /nfs/dbraw/zinc/02/06/49/574020649.db2.gz KHQMARXPJVNBMK-MRVPVSSYSA-N 0 3 199.200 2.007 10 0 AEAEHN CN[C@H](c1ccoc1)[C@H]1CCCS1 87712378 574020735 /nfs/dbraw/zinc/02/07/35/574020735.db2.gz QUIMBIFVSYOBOF-NXEZZACHSA-N 0 3 197.303 2.436 10 0 AEAEHN CN[C@H](c1ccoc1)[C@@H]1CCCS1 87712376 574020891 /nfs/dbraw/zinc/02/08/91/574020891.db2.gz QUIMBIFVSYOBOF-VHSXEESVSA-N 0 3 197.303 2.436 10 0 AEAEHN C[C@H]1CCC[C@H]1Nc1cccc(N)n1 87726394 574023550 /nfs/dbraw/zinc/02/35/50/574023550.db2.gz MDOMXUHYDULPTA-DTWKUNHWSA-N 0 3 191.278 2.264 10 0 AEAEHN C[C@H](CC1CC1)Nc1cccc(N)n1 87726383 574023555 /nfs/dbraw/zinc/02/35/55/574023555.db2.gz ISUXEWJBONYDOY-MRVPVSSYSA-N 0 3 191.278 2.264 10 0 AEAEHN Nc1cccc(N[C@@H]2CC=CCC2)n1 87726636 574023561 /nfs/dbraw/zinc/02/35/61/574023561.db2.gz SVYWFLKPWLSUSB-SECBINFHSA-N 0 3 189.262 2.184 10 0 AEAEHN C[C@@H]1CCC[C@@H]1Nc1cccc(N)n1 87726388 574023593 /nfs/dbraw/zinc/02/35/93/574023593.db2.gz MDOMXUHYDULPTA-BDAKNGLRSA-N 0 3 191.278 2.264 10 0 AEAEHN CCC[C@H](C)Nc1cccc(N)n1 87725763 574023647 /nfs/dbraw/zinc/02/36/47/574023647.db2.gz NFYKIRNPVMJNLG-QMMMGPOBSA-N 0 3 179.267 2.264 10 0 AEAEHN CN(C)c1ccc([C@@H]2CCCCN2)o1 104516989 574023700 /nfs/dbraw/zinc/02/37/00/574023700.db2.gz NFIIQDIXFHBQLK-VIFPVBQESA-N 0 3 194.278 2.160 10 0 AEAEHN CCCN(CCC)c1cccc(N)n1 87726756 574023713 /nfs/dbraw/zinc/02/37/13/574023713.db2.gz JNUIATREAZJYOP-UHFFFAOYSA-N 0 3 193.294 2.290 10 0 AEAEHN CCC(C)(C)N(C)c1cccc(N)n1 87731465 574023725 /nfs/dbraw/zinc/02/37/25/574023725.db2.gz RLDANPLZBNSPML-UHFFFAOYSA-N 0 3 193.294 2.289 10 0 AEAEHN CC[C@@H](C)CNc1cccc(N)n1 87726288 574023801 /nfs/dbraw/zinc/02/38/01/574023801.db2.gz FUVDGSSUEJUHTB-MRVPVSSYSA-N 0 3 179.267 2.122 10 0 AEAEHN C[C@H]1CCC[C@@H]1Nc1cccc(N)n1 87726390 574023913 /nfs/dbraw/zinc/02/39/13/574023913.db2.gz MDOMXUHYDULPTA-IUCAKERBSA-N 0 3 191.278 2.264 10 0 AEAEHN CCC[C@@H](C)Nc1cccc(N)n1 87725760 574023920 /nfs/dbraw/zinc/02/39/20/574023920.db2.gz NFYKIRNPVMJNLG-MRVPVSSYSA-N 0 3 179.267 2.264 10 0 AEAEHN CCC[C@@H](C)N(C)c1cccc(N)n1 87727041 574023933 /nfs/dbraw/zinc/02/39/33/574023933.db2.gz YNYYWNKGOQGXAU-SECBINFHSA-N 0 3 193.294 2.289 10 0 AEAEHN CCC[C@@H]([NH3+])c1cc([O-])cc(F)c1 104515668 574023962 /nfs/dbraw/zinc/02/39/62/574023962.db2.gz ALZWDCNGLNAVFX-SNVBAGLBSA-N 0 3 183.226 2.331 10 0 AEAEHN CC[C@H]1CCCN1c1cccc(N)n1 87727069 574023975 /nfs/dbraw/zinc/02/39/75/574023975.db2.gz RQTOEOMZWJSYGZ-VIFPVBQESA-N 0 3 191.278 2.043 10 0 AEAEHN Cc1cc(CN)cnc1SC(C)C 87720095 574024090 /nfs/dbraw/zinc/02/40/90/574024090.db2.gz YRBHJAPNSGUGLR-UHFFFAOYSA-N 0 3 196.319 2.349 10 0 AEAEHN CCCC[C@@H]1N[C@@H](C)CS1 85309904 574032565 /nfs/dbraw/zinc/03/25/65/574032565.db2.gz BDVIOMYVVIHPEW-JGVFFNPUSA-N 0 3 159.298 2.228 10 0 AEAEHN C[C@H]1CSC[C@@H](c2ccccc2)N1 85310693 574032621 /nfs/dbraw/zinc/03/26/21/574032621.db2.gz XOJPUMXAGUCRNE-ONGXEEELSA-N 0 3 193.315 2.453 10 0 AEAEHN C[C@@H]1CS[C@H](CC(C)(C)C)N1 85309563 574032630 /nfs/dbraw/zinc/03/26/30/574032630.db2.gz YRULXJQGDSCRDF-HTQZYQBOSA-N 0 3 173.325 2.474 10 0 AEAEHN C1=C2c3ccccc3NC[C@@H]2CCN1 143817945 574032724 /nfs/dbraw/zinc/03/27/24/574032724.db2.gz GLYXTBIXEPBWRW-VIFPVBQESA-N 0 3 186.258 2.063 10 0 AEAEHN C[C@H]1SCCCN[C@H]1c1ccco1 85314987 574032879 /nfs/dbraw/zinc/03/28/79/574032879.db2.gz OWKJZEYESRWKTR-PSASIEDQSA-N 0 3 197.303 2.436 10 0 AEAEHN C1CN[C@@H](C2CCCC2)SC1 85314765 574032999 /nfs/dbraw/zinc/03/29/99/574032999.db2.gz IBHRKORRWNDURE-SECBINFHSA-N 0 3 171.309 2.229 10 0 AEAEHN C1=C2c3ccccc3NC[C@H]2CCN1 143817732 574033093 /nfs/dbraw/zinc/03/30/93/574033093.db2.gz GLYXTBIXEPBWRW-SECBINFHSA-N 0 3 186.258 2.063 10 0 AEAEHN CC[C@H](C)[C@@H]1NCCCS1 85314868 574033155 /nfs/dbraw/zinc/03/31/55/574033155.db2.gz NLDRNMILMSYQGN-JGVFFNPUSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@@H](C)[C@H]1NCCCS1 85314869 574033263 /nfs/dbraw/zinc/03/32/63/574033263.db2.gz NLDRNMILMSYQGN-SFYZADRCSA-N 0 3 159.298 2.085 10 0 AEAEHN C[C@@H]1SCCCN[C@H]1c1ccco1 85314988 574033282 /nfs/dbraw/zinc/03/32/82/574033282.db2.gz OWKJZEYESRWKTR-WCBMZHEXSA-N 0 3 197.303 2.436 10 0 AEAEHN CC[C@H](C)[C@H]1NCCCS1 85314870 574033393 /nfs/dbraw/zinc/03/33/93/574033393.db2.gz NLDRNMILMSYQGN-YUMQZZPRSA-N 0 3 159.298 2.085 10 0 AEAEHN c1coc([C@H]2CSCCCN2)c1 85315186 574033427 /nfs/dbraw/zinc/03/34/27/574033427.db2.gz ZAZIOJMPKGZEIQ-MRVPVSSYSA-N 0 3 183.276 2.047 10 0 AEAEHN C1=CC[C@H]([C@@H]2NCCCS2)CC1 85314782 574033436 /nfs/dbraw/zinc/03/34/36/574033436.db2.gz AUGJBJCDHQRKQZ-VHSXEESVSA-N 0 3 183.320 2.395 10 0 AEAEHN C1=CC[C@@H]([C@@H]2NCCCS2)CC1 85314784 574033454 /nfs/dbraw/zinc/03/34/54/574033454.db2.gz AUGJBJCDHQRKQZ-NXEZZACHSA-N 0 3 183.320 2.395 10 0 AEAEHN Cc1ccc([C@@H]2CSCCCN2)o1 85314995 574033468 /nfs/dbraw/zinc/03/34/68/574033468.db2.gz SJEJFORBIMIYAX-VIFPVBQESA-N 0 3 197.303 2.356 10 0 AEAEHN Cc1ccc(CNC(C)(C)C)nc1 87782207 574033525 /nfs/dbraw/zinc/03/35/25/574033525.db2.gz OUFLNYFTELJTEC-UHFFFAOYSA-N 0 3 178.279 2.278 10 0 AEAEHN CC(C)(C)C[C@H]1NCCCS1 85314684 574033541 /nfs/dbraw/zinc/03/35/41/574033541.db2.gz ITCHQZMXACCGCQ-QMMMGPOBSA-N 0 3 173.325 2.475 10 0 AEAEHN CCC(CC)[C@H]1NCCCS1 85314750 574033590 /nfs/dbraw/zinc/03/35/90/574033590.db2.gz PCDBDLLSGYFHAF-VIFPVBQESA-N 0 3 173.325 2.475 10 0 AEAEHN C1=CC[C@@H]([C@H]2NCCCS2)CC1 85314783 574033617 /nfs/dbraw/zinc/03/36/17/574033617.db2.gz AUGJBJCDHQRKQZ-ZJUUUORDSA-N 0 3 183.320 2.395 10 0 AEAEHN C[C@@H]1SCCCN[C@@H]1c1ccco1 85314990 574033701 /nfs/dbraw/zinc/03/37/01/574033701.db2.gz OWKJZEYESRWKTR-WPRPVWTQSA-N 0 3 197.303 2.436 10 0 AEAEHN C1=CC[C@H]([C@H]2NCCCS2)CC1 85314781 574033733 /nfs/dbraw/zinc/03/37/33/574033733.db2.gz AUGJBJCDHQRKQZ-UWVGGRQHSA-N 0 3 183.320 2.395 10 0 AEAEHN CC(C)(C)[C@@H]1NCCCS1 85314759 574033747 /nfs/dbraw/zinc/03/37/47/574033747.db2.gz NHLSAFBAZKAFQO-SSDOTTSWSA-N 0 3 159.298 2.085 10 0 AEAEHN CC[C@@H](C)[C@@H]1NCCCS1 85314867 574033842 /nfs/dbraw/zinc/03/38/42/574033842.db2.gz NLDRNMILMSYQGN-HTQZYQBOSA-N 0 3 159.298 2.085 10 0 AEAEHN Cc1ccc([C@H]2CSCCCN2)o1 85314996 574033986 /nfs/dbraw/zinc/03/39/86/574033986.db2.gz SJEJFORBIMIYAX-SECBINFHSA-N 0 3 197.303 2.356 10 0 AEAEHN CC(C)(C)C[C@@H]1NCCCS1 85314683 574034020 /nfs/dbraw/zinc/03/40/20/574034020.db2.gz ITCHQZMXACCGCQ-MRVPVSSYSA-N 0 3 173.325 2.475 10 0 AEAEHN c1coc([C@@H]2CSCCCN2)c1 85315185 574034028 /nfs/dbraw/zinc/03/40/28/574034028.db2.gz ZAZIOJMPKGZEIQ-QMMMGPOBSA-N 0 3 183.276 2.047 10 0 AEAEHN CC(C)C[C@@H]1NCCCS1 85314845 574034111 /nfs/dbraw/zinc/03/41/11/574034111.db2.gz FKBMTDBONOFEKH-MRVPVSSYSA-N 0 3 159.298 2.085 10 0 AEAEHN C1CN[C@H](C2CCCC2)SC1 85314766 574034273 /nfs/dbraw/zinc/03/42/73/574034273.db2.gz IBHRKORRWNDURE-VIFPVBQESA-N 0 3 171.309 2.229 10 0 AEAEHN CC(C)C[C@H]1NCCCS1 85314846 574034318 /nfs/dbraw/zinc/03/43/18/574034318.db2.gz FKBMTDBONOFEKH-QMMMGPOBSA-N 0 3 159.298 2.085 10 0 AEAEHN CCC(CC)[C@@H]1NCCCS1 85314749 574034366 /nfs/dbraw/zinc/03/43/66/574034366.db2.gz PCDBDLLSGYFHAF-SECBINFHSA-N 0 3 173.325 2.475 10 0 AEAEHN CC(C)[C@H](CO)[C@H](N)c1cccs1 259289416 574034395 /nfs/dbraw/zinc/03/43/95/574034395.db2.gz HREACVRTGASZKL-WPRPVWTQSA-N 0 3 199.319 2.012 10 0 AEAEHN CC(C)(C)[C@H]1NCCCS1 85314760 574034401 /nfs/dbraw/zinc/03/44/01/574034401.db2.gz NHLSAFBAZKAFQO-ZETCQYMHSA-N 0 3 159.298 2.085 10 0 AEAEHN CC(C)[C@@H](CO)[C@H](N)c1cccs1 259289411 574034429 /nfs/dbraw/zinc/03/44/29/574034429.db2.gz HREACVRTGASZKL-SCZZXKLOSA-N 0 3 199.319 2.012 10 0 AEAEHN C[C@H]1SCCCN[C@@H]1c1ccco1 85314989 574034483 /nfs/dbraw/zinc/03/44/83/574034483.db2.gz OWKJZEYESRWKTR-SCZZXKLOSA-N 0 3 197.303 2.436 10 0 AEAEHN CSCC[C@H]1N[C@H](C)CCS1 85318710 574034737 /nfs/dbraw/zinc/03/47/37/574034737.db2.gz WSHAULYJOIUUAW-SFYZADRCSA-N 0 3 191.365 2.181 10 0 AEAEHN Cc1ccc([C@@H](F)[C@H](C)N)cc1 258470522 574039184 /nfs/dbraw/zinc/03/91/84/574039184.db2.gz IDGPUZRCERRWLQ-WPRPVWTQSA-N 0 3 167.227 2.353 10 0 AEAEHN C[C@H]1CN[C@H](C(C)(C)C)SC1 85337290 574039252 /nfs/dbraw/zinc/03/92/52/574039252.db2.gz QCAPDDLCLYNKMW-YUMQZZPRSA-N 0 3 173.325 2.331 10 0 AEAEHN CC(C)C[C@@H]1NCC[C@@H](C)S1 85341920 574039258 /nfs/dbraw/zinc/03/92/58/574039258.db2.gz FJVFMGZBBZOWRU-RKDXNWHRSA-N 0 3 173.325 2.474 10 0 AEAEHN C[C@H]1CN[C@@H](C(C)(C)C)SC1 85337297 574039297 /nfs/dbraw/zinc/03/92/97/574039297.db2.gz QCAPDDLCLYNKMW-JGVFFNPUSA-N 0 3 173.325 2.331 10 0 AEAEHN CC[C@H](C)N(C)c1cccc(NC)n1 87809375 574039316 /nfs/dbraw/zinc/03/93/16/574039316.db2.gz LQWOAUJXAKJUDJ-VIFPVBQESA-N 0 3 193.294 2.358 10 0 AEAEHN CCCC[C@H]1NC[C@H](C)CS1 85337362 574039333 /nfs/dbraw/zinc/03/93/33/574039333.db2.gz CSQDMUTZOUFZOQ-IUCAKERBSA-N 0 3 173.325 2.475 10 0 AEAEHN CSCC[C@@H]1NC[C@H](C)CS1 85337513 574039348 /nfs/dbraw/zinc/03/93/48/574039348.db2.gz XNDNTCNDKRMVGU-JGVFFNPUSA-N 0 3 191.365 2.038 10 0 AEAEHN CCCC[C@@H]1NC[C@@H](C)CS1 85337364 574039368 /nfs/dbraw/zinc/03/93/68/574039368.db2.gz CSQDMUTZOUFZOQ-RKDXNWHRSA-N 0 3 173.325 2.475 10 0 AEAEHN CN[C@H](OC)c1cc(C)c(C)cc1C 259293825 574040049 /nfs/dbraw/zinc/04/00/49/574040049.db2.gz QBOAUQWMEBJRMR-GFCCVEGCSA-N 0 3 193.290 2.476 10 0 AEAEHN CCCCNc1cccc(NC)n1 87807927 574039644 /nfs/dbraw/zinc/03/96/44/574039644.db2.gz BAURYWNLTZFITK-UHFFFAOYSA-N 0 3 179.267 2.335 10 0 AEAEHN CNc1cccc(NCC2CCC2)n1 87809858 574039651 /nfs/dbraw/zinc/03/96/51/574039651.db2.gz CORHWZJOERKFHC-UHFFFAOYSA-N 0 3 191.278 2.335 10 0 AEAEHN CCC(CC)C[C@H](N)c1nccn1C 128236242 574039833 /nfs/dbraw/zinc/03/98/33/574039833.db2.gz RVGYOJFAJVNURT-JTQLQIEISA-N 0 3 195.310 2.246 10 0 AEAEHN CCNc1cccc(N(C)C2CC2)n1 87808873 574039906 /nfs/dbraw/zinc/03/99/06/574039906.db2.gz DUDSLLHFRJGTSQ-UHFFFAOYSA-N 0 3 191.278 2.112 10 0 AEAEHN CSCC[C@H]1NCC[C@@H](C)S1 85342378 574039924 /nfs/dbraw/zinc/03/99/24/574039924.db2.gz WPBWRBVCJQHSQY-SFYZADRCSA-N 0 3 191.365 2.181 10 0 AEAEHN CSCC[C@H]1NCC[C@H](C)S1 85342379 574039931 /nfs/dbraw/zinc/03/99/31/574039931.db2.gz WPBWRBVCJQHSQY-YUMQZZPRSA-N 0 3 191.365 2.181 10 0 AEAEHN CSCC[C@@H]1NCC[C@@H](C)S1 85342381 574039949 /nfs/dbraw/zinc/03/99/49/574039949.db2.gz WPBWRBVCJQHSQY-HTQZYQBOSA-N 0 3 191.365 2.181 10 0 AEAEHN CSCC[C@@H]1NC(C)(C)CS1 85349747 574044100 /nfs/dbraw/zinc/04/41/00/574044100.db2.gz WOQVFKHBFXIMOS-SSDOTTSWSA-N 0 3 191.365 2.181 10 0 AEAEHN CNc1cccc(N[C@@H](C)C2CC2)n1 87811931 574044145 /nfs/dbraw/zinc/04/41/45/574044145.db2.gz NIHHEQYEFPTPMZ-QMMMGPOBSA-N 0 3 191.278 2.334 10 0 AEAEHN CCNc1cccc(N[C@@H]2C[C@@H]2C)n1 87827340 574044381 /nfs/dbraw/zinc/04/43/81/574044381.db2.gz ZLCJIDUGOGJGFA-DTWKUNHWSA-N 0 3 191.278 2.334 10 0 AEAEHN CNc1cccc(N2CCC[C@@H]2C)n1 87820203 574044493 /nfs/dbraw/zinc/04/44/93/574044493.db2.gz YBXBTNROHRQTEM-VIFPVBQESA-N 0 3 191.278 2.112 10 0 AEAEHN CNc1cccc(N[C@H]2CC2(C)C)n1 87825789 574044600 /nfs/dbraw/zinc/04/46/00/574044600.db2.gz JJRFKEPDTIANHY-QMMMGPOBSA-N 0 3 191.278 2.334 10 0 AEAEHN CCNc1cccc(N[C@H]2C[C@@H]2C)n1 87827342 574044666 /nfs/dbraw/zinc/04/46/66/574044666.db2.gz ZLCJIDUGOGJGFA-IUCAKERBSA-N 0 3 191.278 2.334 10 0 AEAEHN CNc1cccc(N2CCC[C@H]2C)n1 87820200 574044788 /nfs/dbraw/zinc/04/47/88/574044788.db2.gz YBXBTNROHRQTEM-SECBINFHSA-N 0 3 191.278 2.112 10 0 AEAEHN CCC(=N)c1ccccc1O 112999619 574044887 /nfs/dbraw/zinc/04/48/87/574044887.db2.gz GCPTUCLJBQYZTC-UHFFFAOYSA-N 0 3 149.193 2.170 10 0 AEAEHN CNc1cccc(NC2CCC2)n1 87827124 574044965 /nfs/dbraw/zinc/04/49/65/574044965.db2.gz TVFJNTJUJVOIRR-UHFFFAOYSA-N 0 3 177.251 2.088 10 0 AEAEHN CCOC[C@@H](N)c1ccc(CC)s1 131841902 574048294 /nfs/dbraw/zinc/04/82/94/574048294.db2.gz VJXADOCPSONDOK-SECBINFHSA-N 0 3 199.319 2.347 10 0 AEAEHN CCOc1ccc2c(c1)CN[C@@H](C)C2 52095228 517732790 /nfs/dbraw/zinc/73/27/90/517732790.db2.gz YBBKIPFUHDZEAW-VIFPVBQESA-N 0 3 191.274 2.120 10 0 AEAEHN C=C1C(C)=Nc2ccc(N)cc2N1C 100283941 518659168 /nfs/dbraw/zinc/65/91/68/518659168.db2.gz YNOJKGXNFJYGQE-UHFFFAOYSA-N 0 3 187.246 2.325 10 0 AEAEHN Cc1cc(CN2CC(C)C2)c(C)o1 306535963 629657864 /nfs/dbraw/zinc/65/78/64/629657864.db2.gz KDNPQIJWDCBEMV-UHFFFAOYSA-N 0 3 179.263 2.348 10 0 AEAEHN FCCN1CCC(C2CC2)CC1 306933293 629686206 /nfs/dbraw/zinc/68/62/06/629686206.db2.gz CSZOETOFNKKOEI-UHFFFAOYSA-N 0 3 171.259 2.078 10 0 AEAEHN C[C@H]1C[C@@H](C)N1C/C=C/Cl 306277504 629686794 /nfs/dbraw/zinc/68/67/94/629686794.db2.gz FUFFZKMOSRDWPB-ZKMUWOAOSA-N 0 3 159.660 2.222 10 0 AEAEHN FC(F)(F)CCN1CC[C@@H]2C[C@@H]21 306395068 629693072 /nfs/dbraw/zinc/69/30/72/629693072.db2.gz FSTBJONATDWVMD-RQJHMYQMSA-N 0 3 179.185 2.033 10 0 AEAEHN FC(F)(F)CCN1CC[C@H]2C[C@H]21 306395064 629695846 /nfs/dbraw/zinc/69/58/46/629695846.db2.gz FSTBJONATDWVMD-NKWVEPMBSA-N 0 3 179.185 2.033 10 0 AEAEHN C[C@@H](NC1CC(C)(C)C1)c1ncc[nH]1 306988667 629702596 /nfs/dbraw/zinc/70/25/96/629702596.db2.gz AYEVBHALLOOIPY-MRVPVSSYSA-N 0 3 193.294 2.249 10 0 AEAEHN C[C@H](NC1CC(C)(C)C1)c1ncc[nH]1 306988668 629711012 /nfs/dbraw/zinc/71/10/12/629711012.db2.gz AYEVBHALLOOIPY-QMMMGPOBSA-N 0 3 193.294 2.249 10 0 AEAEHN CS[C@H]1CCCCN(CCF)C1 307107459 629744555 /nfs/dbraw/zinc/74/45/55/629744555.db2.gz FSTPOKGYHHDEMQ-VIFPVBQESA-N 0 3 191.315 2.173 10 0 AEAEHN CS[C@@H]1CCCCN(CCF)C1 307107457 629744684 /nfs/dbraw/zinc/74/46/84/629744684.db2.gz FSTPOKGYHHDEMQ-SECBINFHSA-N 0 3 191.315 2.173 10 0 AEAEHN CC1(C)CCN1Cc1ccco1 307623824 629791306 /nfs/dbraw/zinc/79/13/06/629791306.db2.gz RBYRNOULPTVBCE-UHFFFAOYSA-N 0 3 165.236 2.264 10 0 AEAEHN C[C@H](C1CC1)N1CCC=C(F)C1 307607391 629792422 /nfs/dbraw/zinc/79/24/22/629792422.db2.gz FGGNHXPKDOLBTR-MRVPVSSYSA-N 0 3 169.243 2.344 10 0 AEAEHN C[C@@H](C1CC1)N1CCC=C(F)C1 307607392 629793427 /nfs/dbraw/zinc/79/34/27/629793427.db2.gz FGGNHXPKDOLBTR-QMMMGPOBSA-N 0 3 169.243 2.344 10 0 AEAEHN Cl/C=C/CN1CCCSCC1 307619187 629797951 /nfs/dbraw/zinc/79/79/51/629797951.db2.gz WPUMIMGQVJLRBD-HNQUOIGGSA-N 0 3 191.727 2.178 10 0 AEAEHN CC1(C)SC[C@@H]1NCc1ccoc1 307696830 629804384 /nfs/dbraw/zinc/80/43/84/629804384.db2.gz LCKYXTKSQAWIRK-VIFPVBQESA-N 0 3 197.303 2.263 10 0 AEAEHN CC1(C)SC[C@H]1NCc1ccoc1 307696829 629804547 /nfs/dbraw/zinc/80/45/47/629804547.db2.gz LCKYXTKSQAWIRK-SECBINFHSA-N 0 3 197.303 2.263 10 0 AEAEHN C[C@@H]1CC=CC[C@H]1NCc1ccon1 934621492 629892165 /nfs/dbraw/zinc/89/21/65/629892165.db2.gz IAXPJFWYVAJDJF-MWLCHTKSSA-N 0 3 192.262 2.119 10 0 AEAEHN CCCN(C)C/C=C/Cl 149421792 629956060 /nfs/dbraw/zinc/95/60/60/629956060.db2.gz BWUQCQYQENOGSG-SNAWJCMRSA-N 0 3 147.649 2.081 10 0 AEAEHN c1cc2c(o1)[C@H]([C@@H]1CC13CC3)NCC2 707823751 629990602 /nfs/dbraw/zinc/99/06/02/629990602.db2.gz PQAQODRSSNVOAQ-UWVGGRQHSA-N 0 3 189.258 2.267 10 0 AEAEHN c1cc2c(o1)[C@@H]([C@@H]1CC13CC3)NCC2 707823754 629991677 /nfs/dbraw/zinc/99/16/77/629991677.db2.gz PQAQODRSSNVOAQ-VHSXEESVSA-N 0 3 189.258 2.267 10 0 AEAEHN c1cc2c(o1)[C@H]([C@H]1CC13CC3)NCC2 707823757 629993480 /nfs/dbraw/zinc/99/34/80/629993480.db2.gz PQAQODRSSNVOAQ-ZJUUUORDSA-N 0 3 189.258 2.267 10 0 AEAEHN c1cc2c(o1)[C@@H]([C@H]1CC13CC3)NCC2 707823749 629994170 /nfs/dbraw/zinc/99/41/70/629994170.db2.gz PQAQODRSSNVOAQ-NXEZZACHSA-N 0 3 189.258 2.267 10 0 AEAEHN CCN(CC)Cc1ccc(F)nc1 308209881 630002677 /nfs/dbraw/zinc/00/26/77/630002677.db2.gz FUYYJIYOVCZVOK-UHFFFAOYSA-N 0 3 182.242 2.063 10 0 AEAEHN CC(C)CCCCNCc1ncc[nH]1 96867540 630061984 /nfs/dbraw/zinc/06/19/84/630061984.db2.gz GUTUZIKSUVZUSA-UHFFFAOYSA-N 0 3 195.310 2.326 10 0 AEAEHN CC(C)CCCCNCc1cc[nH]n1 96867464 630062524 /nfs/dbraw/zinc/06/25/24/630062524.db2.gz LXDINXQXHFPLTB-UHFFFAOYSA-N 0 3 195.310 2.326 10 0 AEAEHN CCN(CC)Cc1cc(C)co1 893872109 630068870 /nfs/dbraw/zinc/06/88/70/630068870.db2.gz OXYSATDGKJPAPZ-UHFFFAOYSA-N 0 3 167.252 2.430 10 0 AEAEHN CCCCN(C)Cc1[nH]nc(C)c1C 893870845 630069089 /nfs/dbraw/zinc/06/90/89/630069089.db2.gz DALIWCVRAWFOEB-UHFFFAOYSA-N 0 3 195.310 2.258 10 0 AEAEHN CCN(C)Cc1cc(C)co1 893921258 630069661 /nfs/dbraw/zinc/06/96/61/630069661.db2.gz JCSIBXDVOSKFAW-UHFFFAOYSA-N 0 3 153.225 2.040 10 0 AEAEHN Cc1n[nH]c(CN(C)CC(C)C)c1C 893925058 630069698 /nfs/dbraw/zinc/06/96/98/630069698.db2.gz UQVBUHAJPNLQND-UHFFFAOYSA-N 0 3 195.310 2.114 10 0 AEAEHN Cc1coc(CN(C)C(C)C)c1 893871833 630069741 /nfs/dbraw/zinc/06/97/41/630069741.db2.gz MWZQZHYHNCQQHF-UHFFFAOYSA-N 0 3 167.252 2.428 10 0 AEAEHN CCCN(C)Cc1cc(C)co1 893922488 630069887 /nfs/dbraw/zinc/06/98/87/630069887.db2.gz FNLJQRBNYVMBPO-UHFFFAOYSA-N 0 3 167.252 2.430 10 0 AEAEHN CCCN(CC)Cc1[nH]nc(C)c1C 893864281 630069957 /nfs/dbraw/zinc/06/99/57/630069957.db2.gz WQAIYZFQMDLYBZ-UHFFFAOYSA-N 0 3 195.310 2.258 10 0 AEAEHN CCN(Cc1[nH]nc(C)c1C)C(C)C 893921051 630070023 /nfs/dbraw/zinc/07/00/23/630070023.db2.gz GDKZIWOYYCQGKT-UHFFFAOYSA-N 0 3 195.310 2.257 10 0 AEAEHN Cc1ncoc1CN(C)CC(C)C 893922705 630070195 /nfs/dbraw/zinc/07/01/95/630070195.db2.gz FQUAZLLIKQTYDM-UHFFFAOYSA-N 0 3 182.267 2.071 10 0 AEAEHN CCCN(Cc1ocnc1C)C1CC1 893939066 630070233 /nfs/dbraw/zinc/07/02/33/630070233.db2.gz GPHUTGMENYFFCK-UHFFFAOYSA-N 0 3 194.278 2.357 10 0 AEAEHN Cc1n[nH]c(CN2CCCCC2)c1C 894098349 630072580 /nfs/dbraw/zinc/07/25/80/630072580.db2.gz YRFOEHAKLFQGAR-UHFFFAOYSA-N 0 3 193.294 2.012 10 0 AEAEHN CC1(C)CCN1Cc1ccoc1 306168942 630081392 /nfs/dbraw/zinc/08/13/92/630081392.db2.gz QWVWPJLVXQPGAS-UHFFFAOYSA-N 0 3 165.236 2.264 10 0 AEAEHN CN(Cc1ccoc1)[C@H]1CCSC1 306154574 630082506 /nfs/dbraw/zinc/08/25/06/630082506.db2.gz JPYDPDBLCZAIEQ-JTQLQIEISA-N 0 3 197.303 2.217 10 0 AEAEHN c1cc(CN2CC(C3CC3)C2)co1 306205851 630086223 /nfs/dbraw/zinc/08/62/23/630086223.db2.gz GZXVUNRAMYGSBD-UHFFFAOYSA-N 0 3 177.247 2.121 10 0 AEAEHN c1nc(CNC23CCC(CC2)C3)co1 306207732 630086894 /nfs/dbraw/zinc/08/68/94/630086894.db2.gz ZIBABUWRVZKTRS-UHFFFAOYSA-N 0 3 192.262 2.097 10 0 AEAEHN C[C@@H]1C[C@@H](C)N1C/C=C/Cl 306277502 630092813 /nfs/dbraw/zinc/09/28/13/630092813.db2.gz FUFFZKMOSRDWPB-ATXJSMISSA-N 0 3 159.660 2.222 10 0 AEAEHN CCN(C)Cc1cc(C)oc1C 306428505 630107863 /nfs/dbraw/zinc/10/78/63/630107863.db2.gz MRGRDANLKSWLNY-UHFFFAOYSA-N 0 3 167.252 2.348 10 0 AEAEHN Cc1ncsc1CN1CCC1(C)C 306518628 630118131 /nfs/dbraw/zinc/11/81/31/630118131.db2.gz BYTUBFFLRLUEPG-UHFFFAOYSA-N 0 3 196.319 2.436 10 0 AEAEHN CN1CC[C@@H](N)c2cc(Cl)ccc21 71482265 523961840 /nfs/dbraw/zinc/96/18/40/523961840.db2.gz YHRARNAXRIGZAP-SECBINFHSA-N 0 3 196.681 2.180 10 0 AEAEHN CN1CC[C@@H](N)c2cccc(Cl)c21 71482238 523962321 /nfs/dbraw/zinc/96/23/21/523962321.db2.gz ZVFYXCVESQNEMY-SECBINFHSA-N 0 3 196.681 2.180 10 0 AEAEHN c1cc(CN2CCCSCC2)co1 306705581 630130887 /nfs/dbraw/zinc/13/08/87/630130887.db2.gz IKQSDSKVYTVGLI-UHFFFAOYSA-N 0 3 197.303 2.219 10 0 AEAEHN CC[C@@H]1CCN1C/C=C/Cl 306951589 630137190 /nfs/dbraw/zinc/13/71/90/630137190.db2.gz GTAHDRZLDSHRSV-RYEJSQLPSA-N 0 3 159.660 2.223 10 0 AEAEHN CC[C@H]1CCN1C/C=C/Cl 306951591 630138247 /nfs/dbraw/zinc/13/82/47/630138247.db2.gz GTAHDRZLDSHRSV-WGAJWPLOSA-N 0 3 159.660 2.223 10 0 AEAEHN CN1CC[C@H](N)c2cc(Cl)ccc21 71482263 523982085 /nfs/dbraw/zinc/98/20/85/523982085.db2.gz YHRARNAXRIGZAP-VIFPVBQESA-N 0 3 196.681 2.180 10 0 AEAEHN CN1CC[C@H](N)c2cccc(Cl)c21 71482235 523982211 /nfs/dbraw/zinc/98/22/11/523982211.db2.gz ZVFYXCVESQNEMY-VIFPVBQESA-N 0 3 196.681 2.180 10 0 AEAEHN CSCCN1CCC(F)(F)CC1 307281880 630157436 /nfs/dbraw/zinc/15/74/36/630157436.db2.gz HXSVKKDSJDQITP-UHFFFAOYSA-N 0 3 195.278 2.081 10 0 AEAEHN C[C@H]1CCN(CCF)CC12CCC2 307581127 630171058 /nfs/dbraw/zinc/17/10/58/630171058.db2.gz BWEWJOFNDDUARX-JTQLQIEISA-N 0 3 185.286 2.468 10 0 AEAEHN C[C@@H]1CCN(CCF)CC12CCC2 307581128 630172793 /nfs/dbraw/zinc/17/27/93/630172793.db2.gz BWEWJOFNDDUARX-SNVBAGLBSA-N 0 3 185.286 2.468 10 0 AEAEHN CC1(C)CCN1Cc1ccccn1 307746842 630191023 /nfs/dbraw/zinc/19/10/23/630191023.db2.gz WSLYBYHZQRTJQF-UHFFFAOYSA-N 0 3 176.263 2.066 10 0 AEAEHN Cc1coc(CN(C)CCCF)c1 895896114 630224562 /nfs/dbraw/zinc/22/45/62/630224562.db2.gz MUJGHPXRADXVGJ-UHFFFAOYSA-N 0 3 185.242 2.379 10 0 AEAEHN C[C@@H]1CCCCN1c1cccc(N)n1 72192476 524116971 /nfs/dbraw/zinc/11/69/71/524116971.db2.gz JHZPFMSALQWTRF-SECBINFHSA-N 0 3 191.278 2.043 10 0 AEAEHN c1cc(CN2CCCCC2)co1 199292358 630359273 /nfs/dbraw/zinc/35/92/73/630359273.db2.gz WGZNCURBTRNYSR-UHFFFAOYSA-N 0 3 165.236 2.266 10 0 AEAEHN C/C=C/CNCc1ccc(C)nc1 232464584 630749049 /nfs/dbraw/zinc/74/90/49/630749049.db2.gz FMWCGEVKGHSLIL-ONEGZZNKSA-N 0 3 176.263 2.056 10 0 AEAEHN CCC[C@H](C)CNCc1ccon1 88052537 630749166 /nfs/dbraw/zinc/74/91/66/630749166.db2.gz BBWXFAWJKNWTIN-VIFPVBQESA-N 0 3 182.267 2.200 10 0 AEAEHN CC(C)=CCNCc1ccoc1 232618396 630749185 /nfs/dbraw/zinc/74/91/85/630749185.db2.gz FQMAXPQUJWINNR-UHFFFAOYSA-N 0 3 165.236 2.335 10 0 AEAEHN C/C=C/CNCc1cnc(C)s1 232465231 630749849 /nfs/dbraw/zinc/74/98/49/630749849.db2.gz IQZKGADQWGVOQL-ONEGZZNKSA-N 0 3 182.292 2.117 10 0 AEAEHN CCC[C@@H](C)CNCc1ccon1 88052536 630750383 /nfs/dbraw/zinc/75/03/83/630750383.db2.gz BBWXFAWJKNWTIN-SECBINFHSA-N 0 3 182.267 2.200 10 0 AEAEHN Cc1ccnc(SCCN(C)C)c1 918751137 630807957 /nfs/dbraw/zinc/80/79/57/630807957.db2.gz HLFTYYUUNHPODT-UHFFFAOYSA-N 0 3 196.319 2.044 10 0 AEAEHN CCNCc1c(Cl)n[nH]c1C1CC1 921493429 630822241 /nfs/dbraw/zinc/82/22/41/630822241.db2.gz NZUVXMQFFGGKIJ-UHFFFAOYSA-N 0 3 199.685 2.050 10 0 AEAEHN CC[C@@H](C)c1noc([C@@H]2CCCN2)n1 57340734 630844410 /nfs/dbraw/zinc/84/44/10/630844410.db2.gz KHJBVNHSRDVHLB-SFYZADRCSA-N 0 3 195.266 2.008 10 0 AEAEHN CC[C@H](C)c1noc([C@H]2CCCN2)n1 57340740 630844445 /nfs/dbraw/zinc/84/44/45/630844445.db2.gz KHJBVNHSRDVHLB-JGVFFNPUSA-N 0 3 195.266 2.008 10 0 AEAEHN CC[C@@H](C)c1noc([C@H]2CCCN2)n1 57340738 630844620 /nfs/dbraw/zinc/84/46/20/630844620.db2.gz KHJBVNHSRDVHLB-HTQZYQBOSA-N 0 3 195.266 2.008 10 0 AEAEHN CC[C@H](C)c1noc([C@@H]2CCCN2)n1 57340736 630844787 /nfs/dbraw/zinc/84/47/87/630844787.db2.gz KHJBVNHSRDVHLB-YUMQZZPRSA-N 0 3 195.266 2.008 10 0 AEAEHN Cc1ccc([C@H](C)N[C@@H](C)[C@H](C)O)o1 227475795 630857056 /nfs/dbraw/zinc/85/70/56/630857056.db2.gz URNRCELLMHRPMU-GUBZILKMSA-N 0 3 197.278 2.008 10 0 AEAEHN Cc1ccc([C@H](C)N[C@H](C)[C@H](C)O)o1 227475788 630857182 /nfs/dbraw/zinc/85/71/82/630857182.db2.gz URNRCELLMHRPMU-UTLUCORTSA-N 0 3 197.278 2.008 10 0 AEAEHN c1coc(CCNCc2ccoc2)c1 62103378 630873093 /nfs/dbraw/zinc/87/30/93/630873093.db2.gz SGYUIKASBAYJFT-UHFFFAOYSA-N 0 3 191.230 2.205 10 0 AEAEHN CC(C)(/C=C/Cl)NCc1cnc[nH]1 922644617 630874154 /nfs/dbraw/zinc/87/41/54/630874154.db2.gz JTFTXYHLWNOGCF-ONEGZZNKSA-N 0 3 199.685 2.030 10 0 AEAEHN CC(C)(/C=C\Cl)NCc1cnc[nH]1 922644616 630876041 /nfs/dbraw/zinc/87/60/41/630876041.db2.gz JTFTXYHLWNOGCF-ARJAWSKDSA-N 0 3 199.685 2.030 10 0 AEAEHN COC1CC(N[C@@H](C)c2ccco2)C1 230675816 630883663 /nfs/dbraw/zinc/88/36/63/630883663.db2.gz XDLXTHRMIOVPDZ-IDKOKCKLSA-N 0 3 195.262 2.108 10 0 AEAEHN COC1CC(N[C@H](C)c2ccco2)C1 230675820 630883899 /nfs/dbraw/zinc/88/38/99/630883899.db2.gz XDLXTHRMIOVPDZ-XNWIYYODSA-N 0 3 195.262 2.108 10 0 AEAEHN Cc1ccncc1CN1CCC1(C)C 749335274 630907320 /nfs/dbraw/zinc/90/73/20/630907320.db2.gz IYQGFOVGSHAARX-UHFFFAOYSA-N 0 3 190.290 2.374 10 0 AEAEHN Cc1ccc(CN2CCC2(C)C)nc1 749336122 630907505 /nfs/dbraw/zinc/90/75/05/630907505.db2.gz OWYAQQOYWJWQMG-UHFFFAOYSA-N 0 3 190.290 2.374 10 0 AEAEHN CCc1ncc(CN[C@H]2CC[C@H]2C)o1 825079304 630943191 /nfs/dbraw/zinc/94/31/91/630943191.db2.gz RAXNVZYUCYYYMB-SCZZXKLOSA-N 0 3 194.278 2.125 10 0 AEAEHN CCc1ncc(CN[C@H]2CC[C@@H]2C)o1 825079307 630943250 /nfs/dbraw/zinc/94/32/50/630943250.db2.gz RAXNVZYUCYYYMB-WPRPVWTQSA-N 0 3 194.278 2.125 10 0 AEAEHN CCc1ncc(CN[C@@H]2CC[C@@H]2C)o1 825079305 630943269 /nfs/dbraw/zinc/94/32/69/630943269.db2.gz RAXNVZYUCYYYMB-WCBMZHEXSA-N 0 3 194.278 2.125 10 0 AEAEHN CCc1ncc(CN[C@@H]2CC[C@H]2C)o1 825079302 630943287 /nfs/dbraw/zinc/94/32/87/630943287.db2.gz RAXNVZYUCYYYMB-PSASIEDQSA-N 0 3 194.278 2.125 10 0 AEAEHN CCCN[C@H]1CCCc2oc(C)nc21 924525345 631031873 /nfs/dbraw/zinc/03/18/73/631031873.db2.gz NTQUAVRYHHVEGM-VIFPVBQESA-N 0 3 194.278 2.360 10 0 AEAEHN C[C@H]([NH2+]C1CC1)c1cc([O-])cc(F)c1 924528442 631031915 /nfs/dbraw/zinc/03/19/15/631031915.db2.gz GXYOLBCXFVOUHE-ZETCQYMHSA-N 0 3 195.237 2.344 10 0 AEAEHN C[C@@H]([NH2+]C1CC1)c1cc([O-])cc(F)c1 924528441 631032685 /nfs/dbraw/zinc/03/26/85/631032685.db2.gz GXYOLBCXFVOUHE-SSDOTTSWSA-N 0 3 195.237 2.344 10 0 AEAEHN CCCN[C@@H]1CCCc2oc(C)nc21 924525344 631033167 /nfs/dbraw/zinc/03/31/67/631033167.db2.gz NTQUAVRYHHVEGM-SECBINFHSA-N 0 3 194.278 2.360 10 0 AEAEHN CC(C)=CCN[C@H](C)c1ccnnc1 926264952 631060328 /nfs/dbraw/zinc/06/03/28/631060328.db2.gz JVSXGWMMSQUTIU-SNVBAGLBSA-N 0 3 191.278 2.093 10 0 AEAEHN CC(C)=CCN[C@@H](C)c1ccnnc1 926264951 631061066 /nfs/dbraw/zinc/06/10/66/631061066.db2.gz JVSXGWMMSQUTIU-JTQLQIEISA-N 0 3 191.278 2.093 10 0 AEAEHN C[C@@H](N[C@H]1CC12CC2)c1ccns1 926613339 631064991 /nfs/dbraw/zinc/06/49/91/631064991.db2.gz DNSKZXOAXAIZAP-APPZFPTMSA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@@H](N[C@@H]1CC12CC2)c1ccns1 926613349 631065074 /nfs/dbraw/zinc/06/50/74/631065074.db2.gz DNSKZXOAXAIZAP-VXNVDRBHSA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@H](N[C@H]1CC12CC2)c1ccns1 926613347 631065469 /nfs/dbraw/zinc/06/54/69/631065469.db2.gz DNSKZXOAXAIZAP-CBAPKCEASA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@H](N[C@@H]1CC12CC2)c1ccns1 926613348 631066024 /nfs/dbraw/zinc/06/60/24/631066024.db2.gz DNSKZXOAXAIZAP-IONNQARKSA-N 0 3 194.303 2.346 10 0 AEAEHN C[C@H](NCC(C)(C)F)C1(Cl)CC1 926780685 631070171 /nfs/dbraw/zinc/07/01/71/631070171.db2.gz QRJCKIHOPRVUOF-ZETCQYMHSA-N 0 3 193.693 2.484 10 0 AEAEHN C[C@@H](NCC(C)(C)F)C1(Cl)CC1 926780684 631072037 /nfs/dbraw/zinc/07/20/37/631072037.db2.gz QRJCKIHOPRVUOF-SSDOTTSWSA-N 0 3 193.693 2.484 10 0 AEAEHN C[C@H](c1ccc(F)nc1)N1CCCC1 929211245 631085118 /nfs/dbraw/zinc/08/51/18/631085118.db2.gz GSEXNBPREGNDDA-SECBINFHSA-N 0 3 194.253 2.378 10 0 AEAEHN C[C@@H](c1ccc(F)nc1)N1CCCC1 929211246 631085915 /nfs/dbraw/zinc/08/59/15/631085915.db2.gz GSEXNBPREGNDDA-VIFPVBQESA-N 0 3 194.253 2.378 10 0 AEAEHN CCc1onc(C)c1CN(CC)CC 929204237 631087169 /nfs/dbraw/zinc/08/71/69/631087169.db2.gz HZZXEYCTBPWLAH-UHFFFAOYSA-N 0 3 196.294 2.387 10 0 AEAEHN CCN(Cc1[nH]c(C)nc1C)C1CC1 929255305 631088142 /nfs/dbraw/zinc/08/81/42/631088142.db2.gz QCEMZDOCPLFKHO-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN CCCN(C)Cc1c(C)noc1CC 929411998 631091780 /nfs/dbraw/zinc/09/17/80/631091780.db2.gz JXHCECMTUYHGCR-UHFFFAOYSA-N 0 3 196.294 2.387 10 0 AEAEHN Cc1nc(C)c(CN(C)C2CCC2)[nH]1 929720910 631099957 /nfs/dbraw/zinc/09/99/57/631099957.db2.gz UEOZWKIFOJMIGO-UHFFFAOYSA-N 0 3 193.294 2.011 10 0 AEAEHN FCCCCN1CCn2cccc2C1 932523540 631135742 /nfs/dbraw/zinc/13/57/42/631135742.db2.gz CFLAPHLHGOAZTQ-UHFFFAOYSA-N 0 3 196.269 2.053 10 0 AEAEHN CCCCC1(NCc2cc[nH]n2)CC1 934203884 631145560 /nfs/dbraw/zinc/14/55/60/631145560.db2.gz WEHQRQCTJIYXRH-UHFFFAOYSA-N 0 3 193.294 2.222 10 0 AEAEHN CC1=CCCN(Cc2ccoc2)C1 306259035 631168989 /nfs/dbraw/zinc/16/89/89/631168989.db2.gz JBXBGNTWCXNZCA-UHFFFAOYSA-N 0 3 177.247 2.432 10 0 AEAEHN CCN(C)Cc1ccc(Cl)cn1 306288771 631169885 /nfs/dbraw/zinc/16/98/85/631169885.db2.gz NANLEDRNPJRDME-UHFFFAOYSA-N 0 3 184.670 2.187 10 0 AEAEHN CC(C)c1ccc2[nH]c(CN)nc2c1 62152745 1224171755 /nfs/dbraw/zinc/17/17/55/1224171755.db2.gz PNLFPCDQHIXSDL-UHFFFAOYSA-N 0 3 189.262 2.145 10 0 AEAEHN CC(C)c1ccc2nc(CN)[nH]c2c1 62152745 1224171759 /nfs/dbraw/zinc/17/17/59/1224171759.db2.gz PNLFPCDQHIXSDL-UHFFFAOYSA-N 0 3 189.262 2.145 10 0 AEAEHN CC[NH2+]Cc1cc([O-])cc(Cl)c1 143173392 1224187228 /nfs/dbraw/zinc/18/72/28/1224187228.db2.gz HHKGUCSCOZQQQV-UHFFFAOYSA-N 0 3 185.654 2.155 10 0 AEAEHN Cc1ccc(CN2CCC2)cc1 202748142 1224212892 /nfs/dbraw/zinc/21/28/92/1224212892.db2.gz IVANVARVVGHBFP-UHFFFAOYSA-N 0 3 161.248 2.201 10 0 AEAEHN CN1CC=C(Nc2ccccc2)CC1 213841861 1224216875 /nfs/dbraw/zinc/21/68/75/1224216875.db2.gz QIQXQXLIPCZSQP-UHFFFAOYSA-N 0 3 188.274 2.318 10 0 AEAEHN CC(C)(Nc1cccc(N)n1)C1CC1 232536931 1224233897 /nfs/dbraw/zinc/23/38/97/1224233897.db2.gz MOMXSIITVPNCFN-UHFFFAOYSA-N 0 3 191.278 2.264 10 0 AEAEHN CN(C)Cc1cc2cccc(F)c2[nH]1 257861259 1224242437 /nfs/dbraw/zinc/24/24/37/1224242437.db2.gz FMNCQBJYFCSVOU-UHFFFAOYSA-N 0 3 192.237 2.369 10 0 AEAEHN Nc1ccnc(-c2cccc(O)c2)c1 257908731 1224242712 /nfs/dbraw/zinc/24/27/12/1224242712.db2.gz QAMDFRBOHXUPFE-UHFFFAOYSA-N 0 3 186.214 2.036 10 0 AEAEHN C[C@H]1CCCCN1Cc1cnoc1 306525945 1224263746 /nfs/dbraw/zinc/26/37/46/1224263746.db2.gz SAROSYZUAXEDTB-VIFPVBQESA-N 0 3 180.251 2.049 10 0 AEAEHN C[C@@H]1CCCCN1Cc1cnoc1 306525944 1224264273 /nfs/dbraw/zinc/26/42/73/1224264273.db2.gz SAROSYZUAXEDTB-SECBINFHSA-N 0 3 180.251 2.049 10 0 AEAEHN CCCCCN1CC(C(F)F)C1 307990929 1224293435 /nfs/dbraw/zinc/29/34/35/1224293435.db2.gz TURYODXTRWZMBU-UHFFFAOYSA-N 0 3 177.238 2.374 10 0 AEAEHN CCc1ccc(CN(C)CC)nc1 378943012 1224306730 /nfs/dbraw/zinc/30/67/30/1224306730.db2.gz JRWVISPPTRNODD-UHFFFAOYSA-N 0 3 178.279 2.096 10 0 AEAEHN CN(Cc1cncs1)CC1CCC1 379397952 1224312845 /nfs/dbraw/zinc/31/28/45/1224312845.db2.gz FBIPCJCUQDJZNW-UHFFFAOYSA-N 0 3 196.319 2.375 10 0 AEAEHN CCCC[C@H](C)N1CCO[C@H](C)C1 379398568 1224313449 /nfs/dbraw/zinc/31/34/49/1224313449.db2.gz VTJJSEUFKFRDQB-WDEREUQCSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCC[C@@H](C)N1CCO[C@H](C)C1 379398565 1224313596 /nfs/dbraw/zinc/31/35/96/1224313596.db2.gz VTJJSEUFKFRDQB-GHMZBOCLSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCC[C@@H](C)N1CCO[C@@H](C)C1 379398566 1224313814 /nfs/dbraw/zinc/31/38/14/1224313814.db2.gz VTJJSEUFKFRDQB-MNOVXSKESA-N 0 3 185.311 2.286 10 0 AEAEHN CCCC[C@H](C)N1CCO[C@@H](C)C1 379398567 1224314095 /nfs/dbraw/zinc/31/40/95/1224314095.db2.gz VTJJSEUFKFRDQB-QWRGUYRKSA-N 0 3 185.311 2.286 10 0 AEAEHN CCCCN(CC)Cc1cnoc1 379418316 1224315471 /nfs/dbraw/zinc/31/54/71/1224315471.db2.gz VVTRNZJURVWXBQ-UHFFFAOYSA-N 0 3 182.267 2.297 10 0 AEAEHN CC[C@@H]1CCCCN1Cc1cnoc1 1205704114 1224396499 /nfs/dbraw/zinc/39/64/99/1224396499.db2.gz SAZLDKQSHRPESY-LLVKDONJSA-N 0 3 194.278 2.439 10 0 AEAEHN CC[C@H]1CCCCN1Cc1cnoc1 1205704115 1224397542 /nfs/dbraw/zinc/39/75/42/1224397542.db2.gz SAZLDKQSHRPESY-NSHDSACASA-N 0 3 194.278 2.439 10 0 AEAEHN C[C@@H]1C[C@H]1CN(C)Cc1ccc[nH]1 388579212 538433616 /nfs/dbraw/zinc/43/36/16/538433616.db2.gz CYYIACBIUREAIY-ZJUUUORDSA-N 0 3 178.279 2.103 10 0 AEAEHN CC[C@@H](C)[C@H](C)N(C)Cc1cc[nH]n1 1559537589 1224488347 /nfs/dbraw/zinc/48/83/47/1224488347.db2.gz AGFCJEOOYBMAEG-ZJUUUORDSA-N 0 3 195.310 2.276 10 0 AEAEHN CC[C@H](C)[C@H](C)N(C)Cc1cc[nH]n1 1559537587 1224488417 /nfs/dbraw/zinc/48/84/17/1224488417.db2.gz AGFCJEOOYBMAEG-UWVGGRQHSA-N 0 3 195.310 2.276 10 0 AEAEHN CC[C@H](C)[C@@H](C)N(C)Cc1cc[nH]n1 1559537588 1224488525 /nfs/dbraw/zinc/48/85/25/1224488525.db2.gz AGFCJEOOYBMAEG-VHSXEESVSA-N 0 3 195.310 2.276 10 0 AEAEHN CC[C@@H](C)[C@@H](C)N(C)Cc1cc[nH]n1 1559537586 1224488572 /nfs/dbraw/zinc/48/85/72/1224488572.db2.gz AGFCJEOOYBMAEG-NXEZZACHSA-N 0 3 195.310 2.276 10 0 AEAEHN C[C@H]1C[C@@H]1CN(C)Cc1ccc[nH]1 388579211 538433463 /nfs/dbraw/zinc/43/34/63/538433463.db2.gz CYYIACBIUREAIY-VHSXEESVSA-N 0 3 178.279 2.103 10 0 AEAEHN C[C@H]1C[C@H]1CN(C)Cc1ccc[nH]1 388579207 538433480 /nfs/dbraw/zinc/43/34/80/538433480.db2.gz CYYIACBIUREAIY-UWVGGRQHSA-N 0 3 178.279 2.103 10 0 AEAEHN CC(C)[C@H](C)CNCc1cocn1 388591899 538433742 /nfs/dbraw/zinc/43/37/42/538433742.db2.gz AYAJTNINEDEDDL-SECBINFHSA-N 0 3 182.267 2.056 10 0 AEAEHN Cc1oncc1CN(C)CC1CCC1 1655797020 1224516399 /nfs/dbraw/zinc/51/63/99/1224516399.db2.gz GGQGMCWULXDOHE-UHFFFAOYSA-N 0 3 194.278 2.215 10 0 AEAEHN CCc1oc(CC2CC2)cc1CN 675055477 538448547 /nfs/dbraw/zinc/44/85/47/538448547.db2.gz TVWWFHIEHMCEOZ-UHFFFAOYSA-N 0 3 179.263 2.253 10 0 AEAEHN CCOc1ccc([C@@H](C)NC2CC2)o1 675056727 538449609 /nfs/dbraw/zinc/44/96/09/538449609.db2.gz OTSUHEIJCZLATA-MRVPVSSYSA-N 0 3 195.262 2.491 10 0 AEAEHN C[C@H]1CCCCN1c1cccc(N)n1 72192477 526253048 /nfs/dbraw/zinc/25/30/48/526253048.db2.gz JHZPFMSALQWTRF-VIFPVBQESA-N 0 3 191.278 2.043 10 0 AEAEHN Cc1nn(CC(C)(C)C)c(C)c1CN 85396379 526269159 /nfs/dbraw/zinc/26/91/59/526269159.db2.gz WGXWOUIDVQBMDP-UHFFFAOYSA-N 0 3 195.310 2.005 10 0 AEAEHN c1cc(CNC2CCSCC2)co1 136063325 526426888 /nfs/dbraw/zinc/42/68/88/526426888.db2.gz DHFWLBNBDUZVPS-UHFFFAOYSA-N 0 3 197.303 2.265 10 0 AEAEHN