smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN[C@@H](CC)c1cc(F)ccc1F 35543469 537797413 /nfs/dbraw/zinc/79/74/13/537797413.db2.gz OYJNFAMFUTXHIP-NSHDSACASA-N 0 3 199.244 3.025 20 0 AGADHN CCN[C@H](CC)c1cc(F)ccc1F 35543471 537797831 /nfs/dbraw/zinc/79/78/31/537797831.db2.gz OYJNFAMFUTXHIP-LLVKDONJSA-N 0 3 199.244 3.025 20 0 AGADHN CC(C)C[C@H](C)N[C@H](C)c1ccco1 37118146 537804730 /nfs/dbraw/zinc/80/47/30/537804730.db2.gz KBMFMRVKRUFSQA-WDEREUQCSA-N 0 3 195.306 3.365 20 0 AGADHN CC(C)C[C@H](C)N[C@@H](C)c1ccco1 37118144 537804823 /nfs/dbraw/zinc/80/48/23/537804823.db2.gz KBMFMRVKRUFSQA-QWRGUYRKSA-N 0 3 195.306 3.365 20 0 AGADHN CC(C)C[C@@H](C)N[C@H](C)c1ccco1 37118145 537806070 /nfs/dbraw/zinc/80/60/70/537806070.db2.gz KBMFMRVKRUFSQA-GHMZBOCLSA-N 0 3 195.306 3.365 20 0 AGADHN CC(C)C[C@@H](C)N[C@@H](C)c1ccco1 37118143 537808383 /nfs/dbraw/zinc/80/83/83/537808383.db2.gz KBMFMRVKRUFSQA-MNOVXSKESA-N 0 3 195.306 3.365 20 0 AGADHN Cc1ccc([C@H](C)NCC2CCC2)o1 37180003 537811535 /nfs/dbraw/zinc/81/15/35/537811535.db2.gz BXLXQYUNFITKCD-JTQLQIEISA-N 0 3 193.290 3.039 20 0 AGADHN Cc1ccc([C@@H](C)NCC2CCC2)o1 37180001 537811874 /nfs/dbraw/zinc/81/18/74/537811874.db2.gz BXLXQYUNFITKCD-SNVBAGLBSA-N 0 3 193.290 3.039 20 0 AGADHN Cc1ccc(CN[C@@H](C)CC(C)C)o1 37264391 537812045 /nfs/dbraw/zinc/81/20/45/537812045.db2.gz WHPSUFZVRUDROX-JTQLQIEISA-N 0 3 195.306 3.112 20 0 AGADHN Cc1ccc(CN[C@H](C)CC(C)C)o1 37264392 537817671 /nfs/dbraw/zinc/81/76/71/537817671.db2.gz WHPSUFZVRUDROX-SNVBAGLBSA-N 0 3 195.306 3.112 20 0 AGADHN C[C@H](NCCC(C)(C)C)c1ccco1 37489017 537821918 /nfs/dbraw/zinc/82/19/18/537821918.db2.gz OWLLYXQEBJUMFX-JTQLQIEISA-N 0 3 195.306 3.366 20 0 AGADHN CC(C)=CCNCc1ccc(C)cc1 38220785 537831278 /nfs/dbraw/zinc/83/12/78/537831278.db2.gz ACQSLARTJCQLGA-UHFFFAOYSA-N 0 3 189.302 3.051 20 0 AGADHN CC(C)CCCN[C@H](C)c1ccco1 38093352 537831622 /nfs/dbraw/zinc/83/16/22/537831622.db2.gz DMFWRPWRDFSRDQ-LLVKDONJSA-N 0 3 195.306 3.366 20 0 AGADHN CC(C)CCCN[C@@H](C)c1ccco1 38093351 537831924 /nfs/dbraw/zinc/83/19/24/537831924.db2.gz DMFWRPWRDFSRDQ-NSHDSACASA-N 0 3 195.306 3.366 20 0 AGADHN Cc1ccoc1CN[C@@H](C)CC(C)C 159291789 538035944 /nfs/dbraw/zinc/03/59/44/538035944.db2.gz IRSOLSNYJJACLQ-NSHDSACASA-N 0 3 195.306 3.112 20 0 AGADHN Cc1ccoc1CN[C@H](C)CC(C)C 159291938 538036020 /nfs/dbraw/zinc/03/60/20/538036020.db2.gz IRSOLSNYJJACLQ-LLVKDONJSA-N 0 3 195.306 3.112 20 0 AGADHN CCCCN[C@@H](C)c1ccc(CC)o1 166223395 538156530 /nfs/dbraw/zinc/15/65/30/538156530.db2.gz QDNGBSBNXYOXRZ-JTQLQIEISA-N 0 3 195.306 3.293 20 0 AGADHN CCc1ccc([C@@H](C)NCC(C)C)o1 166212414 538156775 /nfs/dbraw/zinc/15/67/75/538156775.db2.gz JJWLRMIDWKIMNN-SNVBAGLBSA-N 0 3 195.306 3.149 20 0 AGADHN CCc1ccc([C@H](C)NCC(C)C)o1 166212513 538157986 /nfs/dbraw/zinc/15/79/86/538157986.db2.gz JJWLRMIDWKIMNN-JTQLQIEISA-N 0 3 195.306 3.149 20 0 AGADHN CCCCN[C@H](C)c1ccc(CC)o1 166223523 538158668 /nfs/dbraw/zinc/15/86/68/538158668.db2.gz QDNGBSBNXYOXRZ-SNVBAGLBSA-N 0 3 195.306 3.293 20 0 AGADHN CCc1ccc([C@@H](C)N[C@@H](C)CC)o1 166339052 538160202 /nfs/dbraw/zinc/16/02/02/538160202.db2.gz VGIUEIJHUINOCD-VHSXEESVSA-N 0 3 195.306 3.291 20 0 AGADHN CCc1ccc([C@H](C)N[C@@H](C)CC)o1 166339181 538160808 /nfs/dbraw/zinc/16/08/08/538160808.db2.gz VGIUEIJHUINOCD-UWVGGRQHSA-N 0 3 195.306 3.291 20 0 AGADHN CCc1ccc([C@H](C)N[C@H](C)CC)o1 166339409 538161183 /nfs/dbraw/zinc/16/11/83/538161183.db2.gz VGIUEIJHUINOCD-ZJUUUORDSA-N 0 3 195.306 3.291 20 0 AGADHN CCc1ccc([C@@H](C)N[C@H](C)CC)o1 166339288 538163316 /nfs/dbraw/zinc/16/33/16/538163316.db2.gz VGIUEIJHUINOCD-NXEZZACHSA-N 0 3 195.306 3.291 20 0 AGADHN CC(C)=CCNCc1cccc(C)c1 232616906 538227369 /nfs/dbraw/zinc/22/73/69/538227369.db2.gz JDUVBMSNLSGMFB-UHFFFAOYSA-N 0 3 189.302 3.051 20 0 AGADHN CC(C)=CCNCc1sccc1C 232620390 538229957 /nfs/dbraw/zinc/22/99/57/538229957.db2.gz YRAAEZLQAMJFSZ-UHFFFAOYSA-N 0 3 195.331 3.112 20 0 AGADHN CCC(C)(C)CNCc1occc1C 232919054 538231722 /nfs/dbraw/zinc/23/17/22/538231722.db2.gz DVYWAKUGKJHQGL-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN CCC(C)(C)CNCc1ccc(C)o1 232909837 538232147 /nfs/dbraw/zinc/23/21/47/538232147.db2.gz AOEZACPGOLIVNM-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN CCC(C)(C)CN[C@H](C)c1ccco1 232995378 538232435 /nfs/dbraw/zinc/23/24/35/538232435.db2.gz PQHWGFLMQDPTBN-SNVBAGLBSA-N 0 3 195.306 3.366 20 0 AGADHN CCC(C)(C)CN[C@@H](C)c1ccco1 232974497 538233173 /nfs/dbraw/zinc/23/31/73/538233173.db2.gz PQHWGFLMQDPTBN-JTQLQIEISA-N 0 3 195.306 3.366 20 0 AGADHN CC(C)=CCN[C@H](C)c1ccsc1 235214449 538242022 /nfs/dbraw/zinc/24/20/22/538242022.db2.gz VWOBFEXGZXRKHO-SNVBAGLBSA-N 0 3 195.331 3.365 20 0 AGADHN CC(C)=CCN[C@@H](C)c1ccsc1 235515456 538248575 /nfs/dbraw/zinc/24/85/75/538248575.db2.gz VWOBFEXGZXRKHO-JTQLQIEISA-N 0 3 195.331 3.365 20 0 AGADHN CCN(Cc1sccc1C)C1CC1 379376209 538369816 /nfs/dbraw/zinc/36/98/16/538369816.db2.gz SHKSHIZEPDADNC-UHFFFAOYSA-N 0 3 195.331 3.041 20 0 AGADHN CCNCc1c(Cl)cccc1CC 379384479 538378847 /nfs/dbraw/zinc/37/88/47/538378847.db2.gz OJYBYONBWDLNHS-UHFFFAOYSA-N 0 3 197.709 3.012 20 0 AGADHN CCN(Cc1ccsc1)C1CCC1 388622606 538434987 /nfs/dbraw/zinc/43/49/87/538434987.db2.gz FVXIUTFHXLOXCK-UHFFFAOYSA-N 0 3 195.331 3.123 20 0 AGADHN CCN(Cc1ccc(C)s1)C1CC1 388628367 538435171 /nfs/dbraw/zinc/43/51/71/538435171.db2.gz HVRDYONKZFFARD-UHFFFAOYSA-N 0 3 195.331 3.041 20 0 AGADHN CCC[C@@H](NCCF)c1ccccc1 388802643 538437756 /nfs/dbraw/zinc/43/77/56/538437756.db2.gz NNQDXLVTDMPENP-GFCCVEGCSA-N 0 3 195.281 3.087 20 0 AGADHN CCC[C@H](NCCF)c1ccccc1 388802645 538437908 /nfs/dbraw/zinc/43/79/08/538437908.db2.gz NNQDXLVTDMPENP-LBPRGKRZSA-N 0 3 195.281 3.087 20 0 AGADHN CC(C)=CCCN[C@@H](C)c1ccoc1 389244456 538439904 /nfs/dbraw/zinc/43/99/04/538439904.db2.gz ASVMZURZYFGZTC-NSHDSACASA-N 0 3 193.290 3.287 20 0 AGADHN CC(C)=CCCN[C@H](C)c1ccoc1 389244454 538439908 /nfs/dbraw/zinc/43/99/08/538439908.db2.gz ASVMZURZYFGZTC-LLVKDONJSA-N 0 3 193.290 3.287 20 0 AGADHN Cc1occc1CNCCCC(C)C 389277786 538440561 /nfs/dbraw/zinc/44/05/61/538440561.db2.gz QBAJQSCBOYFIMG-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN CC(C)=CCN(C)Cc1ccccc1 144368018 541306769 /nfs/dbraw/zinc/30/67/69/541306769.db2.gz ONRZPTIAKMQCOD-UHFFFAOYSA-N 0 3 189.302 3.085 20 0 AGADHN Cc1cc([C@@H](C)NC2(C)CC2)oc1C 306756790 757074909 /nfs/dbraw/zinc/07/49/09/757074909.db2.gz RDDIDNMTPYWHKA-SECBINFHSA-N 0 3 193.290 3.100 20 0 AGADHN Cc1cc([C@H](C)NC2(C)CC2)oc1C 306756791 757077156 /nfs/dbraw/zinc/07/71/56/757077156.db2.gz RDDIDNMTPYWHKA-VIFPVBQESA-N 0 3 193.290 3.100 20 0 AGADHN C[C@H](NC/C=C\Cl)c1ccccc1 308112360 572754291 /nfs/dbraw/zinc/75/42/91/572754291.db2.gz ZMKYSBTXSZIKIY-NVDWLVSRSA-N 0 3 195.693 3.090 20 0 AGADHN C[C@@H]1CCC[C@@H](C)N1C/C=C\Cl 388448974 573911440 /nfs/dbraw/zinc/91/14/40/573911440.db2.gz XCNRVBUQZMJFAE-UFUMDNBCSA-N 0 3 187.714 3.002 20 0 AGADHN CC1(CN2CCC=C(Cl)C2)CCC1 1171667454 761087169 /nfs/dbraw/zinc/08/71/69/761087169.db2.gz XDQBOSKTTCAXTI-UHFFFAOYSA-N 0 3 199.725 3.005 20 0 AGADHN ClC1=CCCN(CCC2CCC2)C1 1195694426 761699012 /nfs/dbraw/zinc/69/90/12/761699012.db2.gz MCOSWTRECNZLPK-UHFFFAOYSA-N 0 3 199.725 3.005 20 0 AGADHN F[C@H]1CCCN(CCCC2CCC2)C1 1198478437 761711975 /nfs/dbraw/zinc/71/19/75/761711975.db2.gz HBRXNSNQONPLSP-LBPRGKRZSA-N 0 3 199.313 3.001 20 0 AGADHN F[C@@H]1CCCN(CCCC2CCC2)C1 1198478436 761715520 /nfs/dbraw/zinc/71/55/20/761715520.db2.gz HBRXNSNQONPLSP-GFCCVEGCSA-N 0 3 199.313 3.001 20 0 AGADHN Cc1cc(C)nc(NCCC(C)C)c1 307075692 1169500273 /nfs/dbraw/zinc/50/02/73/1169500273.db2.gz FGERUBWMNKGOMY-UHFFFAOYSA-N 0 3 192.306 3.156 20 0 AGADHN CCc1ccc([C@H](C)NC2(C)CC2)o1 379583315 1169588917 /nfs/dbraw/zinc/58/89/17/1169588917.db2.gz MYJGGSIPIVSTJG-VIFPVBQESA-N 0 3 193.290 3.045 20 0 AGADHN CCc1ccc([C@@H](C)NC2(C)CC2)o1 379583313 1169590919 /nfs/dbraw/zinc/59/09/19/1169590919.db2.gz MYJGGSIPIVSTJG-SECBINFHSA-N 0 3 193.290 3.045 20 0 AGADHN CCC[C@H](C)N1CCC=C(Cl)C1 1460393597 1170578703 /nfs/dbraw/zinc/57/87/03/1170578703.db2.gz PCIWJWRJPLFMCY-VIFPVBQESA-N 0 3 187.714 3.003 20 0 AGADHN CCC[C@@H](C)N1CCC=C(Cl)C1 1460393575 1170578906 /nfs/dbraw/zinc/57/89/06/1170578906.db2.gz PCIWJWRJPLFMCY-SECBINFHSA-N 0 3 187.714 3.003 20 0 AGADHN ClC1=CCCN(CCCC2CC2)C1 1646549584 1170882570 /nfs/dbraw/zinc/88/25/70/1170882570.db2.gz ZRWHTLIEGLSNCP-UHFFFAOYSA-N 0 3 199.725 3.005 20 0 AGADHN Cl/C=C\CN1CCC2(CCCC2)C1 379360921 571761389 /nfs/dbraw/zinc/76/13/89/571761389.db2.gz BYPIUZOKJZYKHC-CLTKARDFSA-N 0 3 199.725 3.005 20 0 AGADHN Cl/C=C\CN1C2CCCC1CCC2 379377146 572044782 /nfs/dbraw/zinc/04/47/82/572044782.db2.gz WLBOQWXJVFVVQH-BAQGIRSFSA-N 0 3 199.725 3.146 20 0 AGADHN C[C@H](N(C)C/C=C/Cl)C(C)(C)C 393371448 572244616 /nfs/dbraw/zinc/24/46/16/572244616.db2.gz NPHVJTUPIBPZOP-UCUJLANTSA-N 0 3 189.730 3.105 20 0 AGADHN C[C@@H](N(C)C/C=C/Cl)C(C)(C)C 393371450 572245257 /nfs/dbraw/zinc/24/52/57/572245257.db2.gz NPHVJTUPIBPZOP-XCODYQFDSA-N 0 3 189.730 3.105 20 0 AGADHN C[C@H](N(C)C/C=C\Cl)C(C)(C)C 393371447 572245636 /nfs/dbraw/zinc/24/56/36/572245636.db2.gz NPHVJTUPIBPZOP-NMTCXDENSA-N 0 3 189.730 3.105 20 0 AGADHN CCN(C/C=C/Cl)C1CCCC1 307988937 572354548 /nfs/dbraw/zinc/35/45/48/572354548.db2.gz SHSUTBVJMCQJSI-VMPITWQZSA-N 0 3 187.714 3.003 20 0 AGADHN CCN(C/C=C\Cl)C1CCCC1 307988938 572354682 /nfs/dbraw/zinc/35/46/82/572354682.db2.gz SHSUTBVJMCQJSI-YVMONPNESA-N 0 3 187.714 3.003 20 0 AGADHN CC[C@@H](C)NCc1ccc(C)cc1F 87331629 572419690 /nfs/dbraw/zinc/41/96/90/572419690.db2.gz NGGSXJHPMFWREH-SNVBAGLBSA-N 0 3 195.281 3.022 20 0 AGADHN CC[C@H](C)NCc1ccc(C)cc1F 87331630 572419810 /nfs/dbraw/zinc/41/98/10/572419810.db2.gz NGGSXJHPMFWREH-JTQLQIEISA-N 0 3 195.281 3.022 20 0 AGADHN CC[C@@H](C)CN(CC)C/C=C/Cl 308033187 572456976 /nfs/dbraw/zinc/45/69/76/572456976.db2.gz JQBZLXYZCTXWBP-VQCYPWCPSA-N 0 3 189.730 3.107 20 0 AGADHN CC[C@@H](C)CN(CC)C/C=C\Cl 308033186 572457642 /nfs/dbraw/zinc/45/76/42/572457642.db2.gz JQBZLXYZCTXWBP-JYESYGNLSA-N 0 3 189.730 3.107 20 0 AGADHN CC[C@H](C)CN(CC)C/C=C\Cl 308033185 572458653 /nfs/dbraw/zinc/45/86/53/572458653.db2.gz JQBZLXYZCTXWBP-GFVADAIESA-N 0 3 189.730 3.107 20 0 AGADHN CC[C@H](C)CN(CC)C/C=C/Cl 308033184 572459099 /nfs/dbraw/zinc/45/90/99/572459099.db2.gz JQBZLXYZCTXWBP-FGEFZZPRSA-N 0 3 189.730 3.107 20 0 AGADHN CC[C@@H]1CCCCN1C/C=C\Cl 308043021 572507964 /nfs/dbraw/zinc/50/79/64/572507964.db2.gz ODPUPFAJFISZPR-ONRRBMGISA-N 0 3 187.714 3.003 20 0 AGADHN CC[C@H]1CCCCN1C/C=C\Cl 308043020 572509109 /nfs/dbraw/zinc/50/91/09/572509109.db2.gz ODPUPFAJFISZPR-BXKUYDPTSA-N 0 3 187.714 3.003 20 0 AGADHN C[C@H](C1CC1)N(C/C=C/Cl)C1CC1 308137487 572807570 /nfs/dbraw/zinc/80/75/70/572807570.db2.gz GEFCTJBYOPCJHA-WEMAUNJASA-N 0 3 199.725 3.002 20 0 AGADHN C[C@H](C1CC1)N(C/C=C\Cl)C1CC1 308137483 572807632 /nfs/dbraw/zinc/80/76/32/572807632.db2.gz GEFCTJBYOPCJHA-RMGQIXRRSA-N 0 3 199.725 3.002 20 0 AGADHN C[C@@H](C1CC1)N(C/C=C\Cl)C1CC1 308137475 572809895 /nfs/dbraw/zinc/80/98/95/572809895.db2.gz GEFCTJBYOPCJHA-HKQQGCEUSA-N 0 3 199.725 3.002 20 0 AGADHN C[C@@H](C1CC1)N(C/C=C/Cl)C1CC1 308137479 572810185 /nfs/dbraw/zinc/81/01/85/572810185.db2.gz GEFCTJBYOPCJHA-NOKZVFQSSA-N 0 3 199.725 3.002 20 0 AGADHN CCCCC[C@@H]1CCCN1CCF 308219428 572998616 /nfs/dbraw/zinc/99/86/16/572998616.db2.gz KNJQPTPDPMQRPZ-LLVKDONJSA-N 0 3 187.302 3.001 20 0 AGADHN CCCC[C@@H](C)NCc1ccc(C)o1 50886869 573163671 /nfs/dbraw/zinc/16/36/71/573163671.db2.gz IVHBPDBYYBDVKT-SNVBAGLBSA-N 0 3 195.306 3.256 20 0 AGADHN CCCC[C@H](C)NCc1ccc(C)o1 50886870 573165995 /nfs/dbraw/zinc/16/59/95/573165995.db2.gz IVHBPDBYYBDVKT-JTQLQIEISA-N 0 3 195.306 3.256 20 0 AGADHN Cl/C=C/CN(CC1CC1)C1CCC1 308372314 573386684 /nfs/dbraw/zinc/38/66/84/573386684.db2.gz LLNRHQFVGABQGD-FARCUNLSSA-N 0 3 199.725 3.003 20 0 AGADHN Cl/C=C\CN(CC1CC1)C1CCC1 308372320 573387142 /nfs/dbraw/zinc/38/71/42/573387142.db2.gz LLNRHQFVGABQGD-UQCOIBPSSA-N 0 3 199.725 3.003 20 0 AGADHN Cl/C=C/CN(C1CCC1)C1CCC1 308420053 573685253 /nfs/dbraw/zinc/68/52/53/573685253.db2.gz SHBWHWHEQYMCGU-FPYGCLRLSA-N 0 3 199.725 3.146 20 0 AGADHN Cc1ccc([C@@H](C)N[C@H](C)C2CC2)o1 35733269 486716055 /nfs/dbraw/zinc/71/60/55/486716055.db2.gz DJGIEIOJGZDSJZ-NXEZZACHSA-N 0 3 193.290 3.037 20 0 AGADHN Cc1ccc([C@H](C)N[C@H](C)C2CC2)o1 35733270 486716323 /nfs/dbraw/zinc/71/63/23/486716323.db2.gz DJGIEIOJGZDSJZ-ZJUUUORDSA-N 0 3 193.290 3.037 20 0 AGADHN C[C@@H](CN1CCC=C(F)C1)C(C)(C)C 670268808 486738506 /nfs/dbraw/zinc/73/85/06/486738506.db2.gz WZECXHLHHOBKJT-JTQLQIEISA-N 0 3 199.313 3.228 20 0 AGADHN C[C@H](CN1CCC=C(F)C1)C(C)(C)C 670268809 486738897 /nfs/dbraw/zinc/73/88/97/486738897.db2.gz WZECXHLHHOBKJT-SNVBAGLBSA-N 0 3 199.313 3.228 20 0 AGADHN CCCN[C@@H](C)c1cccc(F)c1F 69640800 486774009 /nfs/dbraw/zinc/77/40/09/486774009.db2.gz CWPZRICXXLMEQQ-QMMMGPOBSA-N 0 3 199.244 3.025 20 0 AGADHN CCCN[C@H](C)c1cccc(F)c1F 69640802 486774128 /nfs/dbraw/zinc/77/41/28/486774128.db2.gz CWPZRICXXLMEQQ-MRVPVSSYSA-N 0 3 199.244 3.025 20 0 AGADHN CCN[C@@H](CCC(C)C)c1ccoc1 70079502 486781900 /nfs/dbraw/zinc/78/19/00/486781900.db2.gz NTMAGBLGYOWQLJ-LBPRGKRZSA-N 0 3 195.306 3.366 20 0 AGADHN CCN[C@H](CCC(C)C)c1ccoc1 70079503 486781957 /nfs/dbraw/zinc/78/19/57/486781957.db2.gz NTMAGBLGYOWQLJ-GFCCVEGCSA-N 0 3 195.306 3.366 20 0 AGADHN CCCN(C1CC1)[C@@H](C)c1ccco1 674756497 486810410 /nfs/dbraw/zinc/81/04/10/486810410.db2.gz GXRKKOZFQKCPFY-JTQLQIEISA-N 0 3 193.290 3.215 20 0 AGADHN CCCN(C1CC1)[C@H](C)c1ccco1 674756498 486810569 /nfs/dbraw/zinc/81/05/69/486810569.db2.gz GXRKKOZFQKCPFY-SNVBAGLBSA-N 0 3 193.290 3.215 20 0 AGADHN CC[C@@H](C)CN(C)Cc1ccoc1C 674860962 486815060 /nfs/dbraw/zinc/81/50/60/486815060.db2.gz HVJCQENYFZEWTE-SNVBAGLBSA-N 0 3 195.306 3.066 20 0 AGADHN CC[C@H](C)CN(C)Cc1ccoc1C 674860961 486815819 /nfs/dbraw/zinc/81/58/19/486815819.db2.gz HVJCQENYFZEWTE-JTQLQIEISA-N 0 3 195.306 3.066 20 0 AGADHN CC[C@@H](C)CN1Cc2ccccc2C1 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678140332 486921166 /nfs/dbraw/zinc/92/11/66/486921166.db2.gz FGGMATRCBWWUJX-SNVBAGLBSA-N 0 3 195.306 3.208 20 0 AGADHN CCc1ccc(CN(C)[C@H](C)CC)o1 678140591 486921578 /nfs/dbraw/zinc/92/15/78/486921578.db2.gz JHEYNMWJTNHCNO-SNVBAGLBSA-N 0 3 195.306 3.072 20 0 AGADHN CCC[C@H](C)N(C)Cc1occc1C 678140803 486921627 /nfs/dbraw/zinc/92/16/27/486921627.db2.gz MVGQAZRXJQOYHE-NSHDSACASA-N 0 3 195.306 3.208 20 0 AGADHN CCc1ccc(CN(C)[C@@H](C)CC)o1 678140589 486921780 /nfs/dbraw/zinc/92/17/80/486921780.db2.gz JHEYNMWJTNHCNO-JTQLQIEISA-N 0 3 195.306 3.072 20 0 AGADHN CCC[C@H](C)N(C)Cc1ccc(C)o1 678140331 486922010 /nfs/dbraw/zinc/92/20/10/486922010.db2.gz FGGMATRCBWWUJX-JTQLQIEISA-N 0 3 195.306 3.208 20 0 AGADHN CCC[C@@H](C)N(C)Cc1occc1C 678140802 486922162 /nfs/dbraw/zinc/92/21/62/486922162.db2.gz MVGQAZRXJQOYHE-LLVKDONJSA-N 0 3 195.306 3.208 20 0 AGADHN CC(C)C[C@H](C)N(C)Cc1ccco1 678153124 486922734 /nfs/dbraw/zinc/92/27/34/486922734.db2.gz CDYXHAJMMWCLPX-NSHDSACASA-N 0 3 195.306 3.146 20 0 AGADHN CC(C)C[C@@H](C)N(C)Cc1ccoc1 678153435 486922804 /nfs/dbraw/zinc/92/28/04/486922804.db2.gz MRVUHAVETZUURO-LLVKDONJSA-N 0 3 195.306 3.146 20 0 AGADHN C[C@@H](N(C)Cc1ccco1)C(C)(C)C 678153142 486922971 /nfs/dbraw/zinc/92/29/71/486922971.db2.gz DYMBGKXKYPFJEW-SNVBAGLBSA-N 0 3 195.306 3.146 20 0 AGADHN CC(C)C[C@H](C)N(C)Cc1ccoc1 678153436 486923241 /nfs/dbraw/zinc/92/32/41/486923241.db2.gz MRVUHAVETZUURO-NSHDSACASA-N 0 3 195.306 3.146 20 0 AGADHN C[C@H](N(C)Cc1ccco1)C(C)(C)C 678153141 486923475 /nfs/dbraw/zinc/92/34/75/486923475.db2.gz DYMBGKXKYPFJEW-JTQLQIEISA-N 0 3 195.306 3.146 20 0 AGADHN CC(C)C[C@@H](C)N(C)Cc1ccco1 678153123 486923567 /nfs/dbraw/zinc/92/35/67/486923567.db2.gz CDYXHAJMMWCLPX-LLVKDONJSA-N 0 3 195.306 3.146 20 0 AGADHN CC[C@@H](C)CN(C)Cc1occc1C 678172939 486924122 /nfs/dbraw/zinc/92/41/22/486924122.db2.gz PBTUOJFTHHFFCF-SNVBAGLBSA-N 0 3 195.306 3.066 20 0 AGADHN CC[C@H](C)CN(C)Cc1occc1C 678172938 486924291 /nfs/dbraw/zinc/92/42/91/486924291.db2.gz PBTUOJFTHHFFCF-JTQLQIEISA-N 0 3 195.306 3.066 20 0 AGADHN Cc1ccoc1CN(C)CC(C)(C)C 678195551 486925696 /nfs/dbraw/zinc/92/56/96/486925696.db2.gz KHYVWXCRRXUCIH-UHFFFAOYSA-N 0 3 195.306 3.066 20 0 AGADHN Cc1occc1CN(C)CC(C)(C)C 678211630 486925961 /nfs/dbraw/zinc/92/59/61/486925961.db2.gz ZZILBMHLXHNZDY-UHFFFAOYSA-N 0 3 195.306 3.066 20 0 AGADHN CCC(CC)CN(C)Cc1ccoc1 678210568 486925982 /nfs/dbraw/zinc/92/59/82/486925982.db2.gz OGTLKLIHGZVNPK-UHFFFAOYSA-N 0 3 195.306 3.148 20 0 AGADHN CC(C)N(Cc1ccco1)C1CCC1 678277344 486930595 /nfs/dbraw/zinc/93/05/95/486930595.db2.gz SQUZIPZVZAZPNB-UHFFFAOYSA-N 0 3 193.290 3.043 20 0 AGADHN FC1=CCCN(CC2CCCCC2)C1 678714986 486944193 /nfs/dbraw/zinc/94/41/93/486944193.db2.gz YKVDHNARBLIGGP-UHFFFAOYSA-N 0 3 197.297 3.126 20 0 AGADHN CN(CCC(C)(C)C)Cc1ccco1 678901444 486949793 /nfs/dbraw/zinc/94/97/93/486949793.db2.gz MMMMAQVGIWXFSO-UHFFFAOYSA-N 0 3 195.306 3.148 20 0 AGADHN CCC(C)(C)CCN1CCC=C(F)C1 679320703 486957613 /nfs/dbraw/zinc/95/76/13/486957613.db2.gz IOIOFAOTIOPZMY-UHFFFAOYSA-N 0 3 199.313 3.372 20 0 AGADHN Cc1ccc(CNC(C)C)c(Cl)c1 161074765 486978925 /nfs/dbraw/zinc/97/89/25/486978925.db2.gz LXXBGFSHOOWPIX-UHFFFAOYSA-N 0 3 197.709 3.146 20 0 AGADHN CC/C=C/CCN(C)Cc1ccoc1 681020411 487005631 /nfs/dbraw/zinc/00/56/31/487005631.db2.gz YFXLVPIQTDIXHB-SNAWJCMRSA-N 0 3 193.290 3.068 20 0 AGADHN CC/C=C\CCN(C)Cc1ccoc1 681020410 487005849 /nfs/dbraw/zinc/00/58/49/487005849.db2.gz YFXLVPIQTDIXHB-PLNGDYQASA-N 0 3 193.290 3.068 20 0 AGADHN CCN(Cc1ccccc1F)C(C)C 197680925 487013817 /nfs/dbraw/zinc/01/38/17/487013817.db2.gz BWJHGRPKYBDOBU-UHFFFAOYSA-N 0 3 195.281 3.056 20 0 AGADHN CN(Cc1ccccc1F)C(C)(C)C 202675437 487018622 /nfs/dbraw/zinc/01/86/22/487018622.db2.gz ZRCNSPXVXBQWCI-UHFFFAOYSA-N 0 3 195.281 3.056 20 0 AGADHN CCCC[C@@H](C)N(C)Cc1ccco1 681642030 487028312 /nfs/dbraw/zinc/02/83/12/487028312.db2.gz QFQNTJCKTRJLCT-LLVKDONJSA-N 0 3 195.306 3.290 20 0 AGADHN CCCC[C@H](C)N(C)Cc1ccco1 681642031 487028682 /nfs/dbraw/zinc/02/86/82/487028682.db2.gz QFQNTJCKTRJLCT-NSHDSACASA-N 0 3 195.306 3.290 20 0 AGADHN CCC[C@H](C)N(C)Cc1ccoc1C 681682291 487031081 /nfs/dbraw/zinc/03/10/81/487031081.db2.gz FKNXWDXKYAQOSV-JTQLQIEISA-N 0 3 195.306 3.208 20 0 AGADHN CCC[C@@H](C)N(C)Cc1ccoc1C 681682293 487031115 /nfs/dbraw/zinc/03/11/15/487031115.db2.gz FKNXWDXKYAQOSV-SNVBAGLBSA-N 0 3 195.306 3.208 20 0 AGADHN CC(C)CCCN(C)Cc1ccoc1 681754901 487038854 /nfs/dbraw/zinc/03/88/54/487038854.db2.gz KRPGHWFXYHDJKU-UHFFFAOYSA-N 0 3 195.306 3.148 20 0 AGADHN CC(C)CCCN(C)Cc1ccco1 681755366 487038956 /nfs/dbraw/zinc/03/89/56/487038956.db2.gz SCBLTOLPWIYADX-UHFFFAOYSA-N 0 3 195.306 3.148 20 0 AGADHN CCCC[C@H](C)NCc1occc1C 229477584 487066420 /nfs/dbraw/zinc/06/64/20/487066420.db2.gz BDKVYIFJTOGLPV-NSHDSACASA-N 0 3 195.306 3.256 20 0 AGADHN CCCC[C@@H](C)NCc1occc1C 229477573 487066591 /nfs/dbraw/zinc/06/65/91/487066591.db2.gz BDKVYIFJTOGLPV-LLVKDONJSA-N 0 3 195.306 3.256 20 0 AGADHN C[C@H](c1ccco1)N(C)CC1(C)CC1 683825810 487098839 /nfs/dbraw/zinc/09/88/39/487098839.db2.gz YKOVASHCZUBUPT-SNVBAGLBSA-N 0 3 193.290 3.073 20 0 AGADHN C[C@@H](c1ccco1)N(C)CC1(C)CC1 683825809 487099157 /nfs/dbraw/zinc/09/91/57/487099157.db2.gz YKOVASHCZUBUPT-JTQLQIEISA-N 0 3 193.290 3.073 20 0 AGADHN CCCCN[C@@H](C)c1cc(C)c(C)o1 308600998 487204634 /nfs/dbraw/zinc/20/46/34/487204634.db2.gz OGZVEIZFJDQQPX-JTQLQIEISA-N 0 3 195.306 3.347 20 0 AGADHN CCCCN[C@H](C)c1cc(C)c(C)o1 308601000 487204917 /nfs/dbraw/zinc/20/49/17/487204917.db2.gz OGZVEIZFJDQQPX-SNVBAGLBSA-N 0 3 195.306 3.347 20 0 AGADHN CC[C@@H](C)N[C@H](C)c1cc(C)c(C)o1 379540876 487245068 /nfs/dbraw/zinc/24/50/68/487245068.db2.gz PISZALODMODICJ-NXEZZACHSA-N 0 3 195.306 3.346 20 0 AGADHN CC[C@H](C)N[C@H](C)c1cc(C)c(C)o1 379540971 487245108 /nfs/dbraw/zinc/24/51/08/487245108.db2.gz PISZALODMODICJ-VHSXEESVSA-N 0 3 195.306 3.346 20 0 AGADHN CC[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1 379540973 487245195 /nfs/dbraw/zinc/24/51/95/487245195.db2.gz PISZALODMODICJ-ZJUUUORDSA-N 0 3 195.306 3.346 20 0 AGADHN CC[C@H](C)N[C@@H](C)c1cc(C)c(C)o1 379540968 487245235 /nfs/dbraw/zinc/24/52/35/487245235.db2.gz PISZALODMODICJ-UWVGGRQHSA-N 0 3 195.306 3.346 20 0 AGADHN Cc1cc([C@H](C)NCC(C)C)oc1C 379571448 487245630 /nfs/dbraw/zinc/24/56/30/487245630.db2.gz FBMSUSVLQRCIBI-JTQLQIEISA-N 0 3 195.306 3.203 20 0 AGADHN Cc1cc([C@@H](C)NCC(C)C)oc1C 379571453 487245715 /nfs/dbraw/zinc/24/57/15/487245715.db2.gz FBMSUSVLQRCIBI-SNVBAGLBSA-N 0 3 195.306 3.203 20 0 AGADHN CC/C=C/CN[C@H](C)c1ccsc1 384920202 487253895 /nfs/dbraw/zinc/25/38/95/487253895.db2.gz RCDPNDQELKDWJA-ORAHPGNNSA-N 0 3 195.331 3.365 20 0 AGADHN CC/C=C/CN[C@@H](C)c1ccsc1 384920206 487253905 /nfs/dbraw/zinc/25/39/05/487253905.db2.gz RCDPNDQELKDWJA-YEZKRMTDSA-N 0 3 195.331 3.365 20 0 AGADHN CC/C=C\CN[C@@H](C)c1ccsc1 384920192 487253950 /nfs/dbraw/zinc/25/39/50/487253950.db2.gz RCDPNDQELKDWJA-LWTINBJPSA-N 0 3 195.331 3.365 20 0 AGADHN CC/C=C\CN[C@H](C)c1ccsc1 384920204 487253993 /nfs/dbraw/zinc/25/39/93/487253993.db2.gz RCDPNDQELKDWJA-UMCURTJPSA-N 0 3 195.331 3.365 20 0 AGADHN CC/C=C/CN[C@@H](C)c1cccs1 384980623 487254612 /nfs/dbraw/zinc/25/46/12/487254612.db2.gz ZAIKSTPYAMVHDS-YEZKRMTDSA-N 0 3 195.331 3.365 20 0 AGADHN CC/C=C\CN[C@H](C)c1cccs1 384980622 487254635 /nfs/dbraw/zinc/25/46/35/487254635.db2.gz ZAIKSTPYAMVHDS-UMCURTJPSA-N 0 3 195.331 3.365 20 0 AGADHN CC/C=C/CN[C@H](C)c1cccs1 384980621 487254843 /nfs/dbraw/zinc/25/48/43/487254843.db2.gz ZAIKSTPYAMVHDS-ORAHPGNNSA-N 0 3 195.331 3.365 20 0 AGADHN CC/C=C\CN[C@@H](C)c1cccs1 384980620 487254863 /nfs/dbraw/zinc/25/48/63/487254863.db2.gz ZAIKSTPYAMVHDS-LWTINBJPSA-N 0 3 195.331 3.365 20 0 AGADHN CC[C@@H](C)CCNCc1occc1C 394398331 487269958 /nfs/dbraw/zinc/26/99/58/487269958.db2.gz GGTPGRABBGUPSY-SNVBAGLBSA-N 0 3 195.306 3.114 20 0 AGADHN CC[C@H](C)CCNCc1occc1C 394398321 487269985 /nfs/dbraw/zinc/26/99/85/487269985.db2.gz GGTPGRABBGUPSY-JTQLQIEISA-N 0 3 195.306 3.114 20 0 AGADHN CC[C@H](C)CCN[C@H](C)c1ccco1 394439762 487270509 /nfs/dbraw/zinc/27/05/09/487270509.db2.gz WWRHWUHUNVPQME-WDEREUQCSA-N 0 3 195.306 3.366 20 0 AGADHN CC[C@@H](C)CCNCc1ccc(C)o1 394441693 487270452 /nfs/dbraw/zinc/27/04/52/487270452.db2.gz YCQWLYKXTHOSRB-SNVBAGLBSA-N 0 3 195.306 3.114 20 0 AGADHN CC[C@@H](C)CCN[C@@H](C)c1ccco1 394439759 487270575 /nfs/dbraw/zinc/27/05/75/487270575.db2.gz WWRHWUHUNVPQME-MNOVXSKESA-N 0 3 195.306 3.366 20 0 AGADHN CC[C@H](C)CCN[C@@H](C)c1ccco1 394439761 487270666 /nfs/dbraw/zinc/27/06/66/487270666.db2.gz WWRHWUHUNVPQME-QWRGUYRKSA-N 0 3 195.306 3.366 20 0 AGADHN CC[C@@H](C)CCN[C@H](C)c1ccco1 394439758 487270819 /nfs/dbraw/zinc/27/08/19/487270819.db2.gz WWRHWUHUNVPQME-GHMZBOCLSA-N 0 3 195.306 3.366 20 0 AGADHN CC[C@H](C)CCNCc1ccc(C)o1 394441690 487270846 /nfs/dbraw/zinc/27/08/46/487270846.db2.gz YCQWLYKXTHOSRB-JTQLQIEISA-N 0 3 195.306 3.114 20 0 AGADHN CC/C=C/CN[C@H](C)c1ccc(C)o1 395137872 487272174 /nfs/dbraw/zinc/27/21/74/487272174.db2.gz GGSQBLREIYYTGP-MVIFTORASA-N 0 3 193.290 3.205 20 0 AGADHN CC/C=C\CN[C@@H](C)c1ccc(C)o1 395137868 487272309 /nfs/dbraw/zinc/27/23/09/487272309.db2.gz GGSQBLREIYYTGP-GZTOBOFZSA-N 0 3 193.290 3.205 20 0 AGADHN CC/C=C/CN[C@@H](C)c1ccc(C)o1 395137874 487272327 /nfs/dbraw/zinc/27/23/27/487272327.db2.gz GGSQBLREIYYTGP-QRGHLMKCSA-N 0 3 193.290 3.205 20 0 AGADHN CC/C=C\CN[C@H](C)c1ccc(C)o1 395137870 487272400 /nfs/dbraw/zinc/27/24/00/487272400.db2.gz GGSQBLREIYYTGP-ISALQUGTSA-N 0 3 193.290 3.205 20 0 AGADHN CC(C)=CCCNCc1ccoc1C 397725296 487279381 /nfs/dbraw/zinc/27/93/81/487279381.db2.gz MRXGOBUFYWTWSJ-UHFFFAOYSA-N 0 3 193.290 3.034 20 0 AGADHN CCCCN(CC)Cc1ccoc1C 666292519 487326292 /nfs/dbraw/zinc/32/62/92/487326292.db2.gz JBVHEDVJHDDJGL-UHFFFAOYSA-N 0 3 195.306 3.210 20 0 AGADHN CCCCCCN(C)Cc1ccoc1 740875175 582546124 /nfs/dbraw/zinc/54/61/24/582546124.db2.gz JHONAHWZRGLNAL-UHFFFAOYSA-N 0 3 195.306 3.292 20 0 AGADHN CCN(Cc1ccco1)CC(C)(C)C 203325050 582708724 /nfs/dbraw/zinc/70/87/24/582708724.db2.gz HIDIJPKCFRIRQD-UHFFFAOYSA-N 0 3 195.306 3.148 20 0 AGADHN FCCN(CC1CCCCC1)C1CC1 746504716 582746515 /nfs/dbraw/zinc/74/65/15/582746515.db2.gz YGWSLQJZSZWJOA-UHFFFAOYSA-N 0 3 199.313 3.001 20 0 AGADHN FCCN1CCC2(CCCCC2)CC1 759340156 582802323 /nfs/dbraw/zinc/80/23/23/582802323.db2.gz SCDKIUZRVOIWOC-UHFFFAOYSA-N 0 3 199.313 3.002 20 0 AGADHN FCCN1CCCC2(CCCCC2)C1 759344279 582802682 /nfs/dbraw/zinc/80/26/82/582802682.db2.gz WEFUSJVGEOCEPP-UHFFFAOYSA-N 0 3 199.313 3.002 20 0 AGADHN CCCN(CC)Cc1cc(C)oc1C 768130576 582833779 /nfs/dbraw/zinc/83/37/79/582833779.db2.gz RVGHTRJNIKRXAB-UHFFFAOYSA-N 0 3 195.306 3.128 20 0 AGADHN CCc1ccc(CN(CC)C(C)C)o1 768236258 582834200 /nfs/dbraw/zinc/83/42/00/582834200.db2.gz DQWRZMYRSLHCRH-UHFFFAOYSA-N 0 3 195.306 3.072 20 0 AGADHN CCN(Cc1cc(C)oc1C)C(C)C 768238380 582834418 /nfs/dbraw/zinc/83/44/18/582834418.db2.gz ZCDHODNKOVZJIU-UHFFFAOYSA-N 0 3 195.306 3.127 20 0 AGADHN CCCCN(C)Cc1cc(C)oc1C 768142719 582834717 /nfs/dbraw/zinc/83/47/17/582834717.db2.gz MHPGNOOPIQFEBL-UHFFFAOYSA-N 0 3 195.306 3.128 20 0 AGADHN CCCCCCN(C)Cc1ccco1 776000313 582864083 /nfs/dbraw/zinc/86/40/83/582864083.db2.gz ZTCASHHZSFCFOA-UHFFFAOYSA-N 0 3 195.306 3.292 20 0 AGADHN CN(C/C=C/Cl)CCC(C)(C)C 829922796 583065336 /nfs/dbraw/zinc/06/53/36/583065336.db2.gz UWZGTODFWCHUMH-FNORWQNLSA-N 0 3 189.730 3.107 20 0 AGADHN CN(C/C=C\Cl)CCC(C)(C)C 829922794 583065379 /nfs/dbraw/zinc/06/53/79/583065379.db2.gz UWZGTODFWCHUMH-ALCCZGGFSA-N 0 3 189.730 3.107 20 0 AGADHN Cc1cc(CN(C)C(C)(C)C)c(C)o1 843430836 583133287 /nfs/dbraw/zinc/13/32/87/583133287.db2.gz FRMIPYMBIBEHHE-UHFFFAOYSA-N 0 3 195.306 3.127 20 0 AGADHN CCCCC[C@@H](C)NCc1ccco1 20084044 583377600 /nfs/dbraw/zinc/37/76/00/583377600.db2.gz UDTPDBRAUAHADD-LLVKDONJSA-N 0 3 195.306 3.338 20 0 AGADHN CCCCC[C@H](C)NCc1ccco1 20084047 583377820 /nfs/dbraw/zinc/37/78/20/583377820.db2.gz UDTPDBRAUAHADD-NSHDSACASA-N 0 3 195.306 3.338 20 0 AGADHN CCCCCCNCc1occc1C 126616931 583396102 /nfs/dbraw/zinc/39/61/02/583396102.db2.gz HYGSBQSQTBBKGJ-UHFFFAOYSA-N 0 3 195.306 3.258 20 0 AGADHN C=C/C=C/CCN1Cc2ccccc2C1 878079064 583404122 /nfs/dbraw/zinc/40/41/22/583404122.db2.gz RDGMEBASTMRALG-ONEGZZNKSA-N 0 3 199.297 3.135 20 0 AGADHN C=C/C=C\CCN1Cc2ccccc2C1 878079059 583404248 /nfs/dbraw/zinc/40/42/48/583404248.db2.gz RDGMEBASTMRALG-ARJAWSKDSA-N 0 3 199.297 3.135 20 0 AGADHN CCc1ccc(CNC(C)(C)CC)o1 51721154 490015843 /nfs/dbraw/zinc/01/58/43/490015843.db2.gz DSLNBTAQWMFBMJ-UHFFFAOYSA-N 0 3 195.306 3.120 20 0 AGADHN CCCCCNCc1ccc(CC)o1 51721206 490015943 /nfs/dbraw/zinc/01/59/43/490015943.db2.gz LNUMNBKRYRFDII-UHFFFAOYSA-N 0 3 195.306 3.122 20 0 AGADHN CCc1ccc(CNC(CC)CC)o1 51721172 490016031 /nfs/dbraw/zinc/01/60/31/490016031.db2.gz MCDKSPVJOWLFEJ-UHFFFAOYSA-N 0 3 195.306 3.120 20 0 AGADHN CC[C@H](C)CNc1cc(C)cc(C)n1 129117519 490048266 /nfs/dbraw/zinc/04/82/66/490048266.db2.gz OXBVAXKKALNPTE-VIFPVBQESA-N 0 3 192.306 3.156 20 0 AGADHN CC[C@@H](C)CNc1cc(C)cc(C)n1 129117342 490048496 /nfs/dbraw/zinc/04/84/96/490048496.db2.gz OXBVAXKKALNPTE-SECBINFHSA-N 0 3 192.306 3.156 20 0 AGADHN CC(C)C(C)(C)CNCc1ccco1 218977962 490070526 /nfs/dbraw/zinc/07/05/26/490070526.db2.gz WCOXWNMSHHJLMW-UHFFFAOYSA-N 0 3 195.306 3.051 20 0 AGADHN CC(C)=CCN[C@H](C)c1ccccc1 219118780 490071536 /nfs/dbraw/zinc/07/15/36/490071536.db2.gz BDWBOMSXDJDOQV-GFCCVEGCSA-N 0 3 189.302 3.303 20 0 AGADHN CC(C)=CCN[C@@H](C)c1ccccc1 219118711 490071762 /nfs/dbraw/zinc/07/17/62/490071762.db2.gz BDWBOMSXDJDOQV-LBPRGKRZSA-N 0 3 189.302 3.303 20 0 AGADHN CC(C)=CCN[C@@H](C)c1ccc(C)o1 219402318 490072283 /nfs/dbraw/zinc/07/22/83/490072283.db2.gz BDJMEUHRRSLAFM-NSHDSACASA-N 0 3 193.290 3.205 20 0 AGADHN CC(C)=CCN[C@@H](C)c1cccs1 219356187 490072381 /nfs/dbraw/zinc/07/23/81/490072381.db2.gz DFGQKTLWYZOZOF-JTQLQIEISA-N 0 3 195.331 3.365 20 0 AGADHN CC(C)=CCN[C@H](C)c1cccs1 219356251 490072416 /nfs/dbraw/zinc/07/24/16/490072416.db2.gz DFGQKTLWYZOZOF-SNVBAGLBSA-N 0 3 195.331 3.365 20 0 AGADHN CC(C)=CCN[C@H](C)c1ccc(C)o1 219402398 490072420 /nfs/dbraw/zinc/07/24/20/490072420.db2.gz BDJMEUHRRSLAFM-LLVKDONJSA-N 0 3 193.290 3.205 20 0 AGADHN CC(C)=CCNCc1ccccc1C 219376137 490072439 /nfs/dbraw/zinc/07/24/39/490072439.db2.gz XJEFLTNGAPEPCH-UHFFFAOYSA-N 0 3 189.302 3.051 20 0 AGADHN CC(C)C[C@H](C)CNCc1ccco1 300867748 490107164 /nfs/dbraw/zinc/10/71/64/490107164.db2.gz HGYNDLJJBITJPW-NSHDSACASA-N 0 3 195.306 3.051 20 0 AGADHN CC(C)C[C@@H](C)CNCc1ccco1 300867746 490107201 /nfs/dbraw/zinc/10/72/01/490107201.db2.gz HGYNDLJJBITJPW-LLVKDONJSA-N 0 3 195.306 3.051 20 0 AGADHN Cc1cc(CN2CCCCC2)cs1 307368169 490131843 /nfs/dbraw/zinc/13/18/43/490131843.db2.gz MVJTXZBVRWRRDQ-UHFFFAOYSA-N 0 3 195.331 3.042 20 0 AGADHN Cc1ccc([C@H](C)NCCC2CC2)o1 83893358 491025493 /nfs/dbraw/zinc/02/54/93/491025493.db2.gz LBIUYHOZTQYRHI-JTQLQIEISA-N 0 3 193.290 3.039 20 0 AGADHN Cc1ccc([C@@H](C)NCCC2CC2)o1 83893357 491025536 /nfs/dbraw/zinc/02/55/36/491025536.db2.gz LBIUYHOZTQYRHI-SNVBAGLBSA-N 0 3 193.290 3.039 20 0 AGADHN CCC1(CN[C@@H](C)c2ccco2)CC1 130506972 491033879 /nfs/dbraw/zinc/03/38/79/491033879.db2.gz BBSJFKXNIRINSK-JTQLQIEISA-N 0 3 193.290 3.120 20 0 AGADHN CCCCCN[C@H](C)c1ccoc1 87289413 491030293 /nfs/dbraw/zinc/03/02/93/491030293.db2.gz JXNGATNFHYEUFW-SNVBAGLBSA-N 0 3 181.279 3.120 20 0 AGADHN CCCCCN[C@@H](C)c1ccoc1 87289412 491030339 /nfs/dbraw/zinc/03/03/39/491030339.db2.gz JXNGATNFHYEUFW-JTQLQIEISA-N 0 3 181.279 3.120 20 0 AGADHN CC(C)CCCN[C@H](C)c1ccoc1 87289953 491030473 /nfs/dbraw/zinc/03/04/73/491030473.db2.gz AXVLYCHTQNFQCT-LLVKDONJSA-N 0 3 195.306 3.366 20 0 AGADHN CC(C)CCCN[C@@H](C)c1ccoc1 87289952 491030506 /nfs/dbraw/zinc/03/05/06/491030506.db2.gz AXVLYCHTQNFQCT-NSHDSACASA-N 0 3 195.306 3.366 20 0 AGADHN CCC1(CN[C@H](C)c2ccoc2)CC1 130500848 491033816 /nfs/dbraw/zinc/03/38/16/491033816.db2.gz ZWYMCMOJIMHFTB-SNVBAGLBSA-N 0 3 193.290 3.120 20 0 AGADHN CCC1(CN[C@@H](C)c2ccoc2)CC1 130500626 491033842 /nfs/dbraw/zinc/03/38/42/491033842.db2.gz ZWYMCMOJIMHFTB-JTQLQIEISA-N 0 3 193.290 3.120 20 0 AGADHN CCC1(CN[C@H](C)c2ccco2)CC1 130507175 491033940 /nfs/dbraw/zinc/03/39/40/491033940.db2.gz BBSJFKXNIRINSK-SNVBAGLBSA-N 0 3 193.290 3.120 20 0 AGADHN C[C@H](N[C@@H](C)C1CCC1)c1ccco1 132224794 491036137 /nfs/dbraw/zinc/03/61/37/491036137.db2.gz HRVSLYIWPJFCBO-UWVGGRQHSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](N[C@H](C)C1CCC1)c1ccco1 132225217 491036182 /nfs/dbraw/zinc/03/61/82/491036182.db2.gz HRVSLYIWPJFCBO-ZJUUUORDSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](N[C@H](C)c1ccco1)C1CCC1 132225015 491036184 /nfs/dbraw/zinc/03/61/84/491036184.db2.gz HRVSLYIWPJFCBO-VHSXEESVSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@@H](N[C@H](C)C1CCC1)c1ccco1 132225411 491036238 /nfs/dbraw/zinc/03/62/38/491036238.db2.gz HRVSLYIWPJFCBO-NXEZZACHSA-N 0 3 193.290 3.119 20 0 AGADHN Cc1cc(C)nc(N[C@@H](C)C(C)C)c1 134350655 491038781 /nfs/dbraw/zinc/03/87/81/491038781.db2.gz WLSPUGVATVCZOQ-NSHDSACASA-N 0 3 192.306 3.155 20 0 AGADHN Cc1cc(C)nc(N[C@H](C)C(C)C)c1 134350679 491038800 /nfs/dbraw/zinc/03/88/00/491038800.db2.gz WLSPUGVATVCZOQ-LLVKDONJSA-N 0 3 192.306 3.155 20 0 AGADHN Cc1ccc([C@@H](C)NCC2(C)CC2)o1 222174881 491040847 /nfs/dbraw/zinc/04/08/47/491040847.db2.gz SDGXGJLWPDVJHP-SNVBAGLBSA-N 0 3 193.290 3.039 20 0 AGADHN Cc1ccc([C@H](C)NCC2(C)CC2)o1 222174926 491040865 /nfs/dbraw/zinc/04/08/65/491040865.db2.gz SDGXGJLWPDVJHP-JTQLQIEISA-N 0 3 193.290 3.039 20 0 AGADHN CC(C)=CCNCc1ccc(C)s1 226568122 491042913 /nfs/dbraw/zinc/04/29/13/491042913.db2.gz OOKWZSZCXYJPHF-UHFFFAOYSA-N 0 3 195.331 3.112 20 0 AGADHN C[C@H]1CCCCN1Cc1ccsc1 307033282 491058028 /nfs/dbraw/zinc/05/80/28/491058028.db2.gz LPVONUMJJWCLGO-JTQLQIEISA-N 0 3 195.331 3.123 20 0 AGADHN C[C@@H]1CCCCN1Cc1ccsc1 307033283 491058089 /nfs/dbraw/zinc/05/80/89/491058089.db2.gz LPVONUMJJWCLGO-SNVBAGLBSA-N 0 3 195.331 3.123 20 0 AGADHN CC[C@H]1c2ccsc2CCN1CC 307233459 491059741 /nfs/dbraw/zinc/05/97/41/491059741.db2.gz DDWYZEHSZBUPAZ-JTQLQIEISA-N 0 3 195.331 3.077 20 0 AGADHN CC[C@@H]1c2ccsc2CCN1CC 307233460 491059745 /nfs/dbraw/zinc/05/97/45/491059745.db2.gz DDWYZEHSZBUPAZ-SNVBAGLBSA-N 0 3 195.331 3.077 20 0 AGADHN CCN1CC(C)(C)[C@H]1c1cccs1 307666584 491066973 /nfs/dbraw/zinc/06/69/73/491066973.db2.gz NAFNGMPOPUPBIV-SNVBAGLBSA-N 0 3 195.331 3.151 20 0 AGADHN CCN1CC(C)(C)[C@@H]1c1cccs1 307666583 491066995 /nfs/dbraw/zinc/06/69/95/491066995.db2.gz NAFNGMPOPUPBIV-JTQLQIEISA-N 0 3 195.331 3.151 20 0 AGADHN CC(C)CCN(C)Cc1ccsc1 308141938 491080277 /nfs/dbraw/zinc/08/02/77/491080277.db2.gz JEPVROHRRFRBIO-UHFFFAOYSA-N 0 3 197.347 3.226 20 0 AGADHN CC(C)N(CCC(F)(F)F)C(C)C 308163427 491081937 /nfs/dbraw/zinc/08/19/37/491081937.db2.gz WMKRIRZEXIJQBL-UHFFFAOYSA-N 0 3 197.244 3.058 20 0 AGADHN CN(Cc1ccsc1)CC(C)(C)C 308218943 491085373 /nfs/dbraw/zinc/08/53/73/491085373.db2.gz BMVGMECIBCUYRX-UHFFFAOYSA-N 0 3 197.347 3.226 20 0 AGADHN CCCCCN(C)Cc1ccsc1 308225412 491086048 /nfs/dbraw/zinc/08/60/48/491086048.db2.gz MSJMSYGZJLZFIA-UHFFFAOYSA-N 0 3 197.347 3.370 20 0 AGADHN CC(C)=CCN(C)Cc1cccs1 308391558 491100594 /nfs/dbraw/zinc/10/05/94/491100594.db2.gz ZUHCPNQYPKCYBO-UHFFFAOYSA-N 0 3 195.331 3.146 20 0 AGADHN CCCCN(CC)CCC(F)(F)F 308404547 491101761 /nfs/dbraw/zinc/10/17/61/491101761.db2.gz IXUYDYSIVRATBZ-UHFFFAOYSA-N 0 3 197.244 3.061 20 0 AGADHN CC[C@@H](NCCF)c1cccc(C)c1 308475154 491106139 /nfs/dbraw/zinc/10/61/39/491106139.db2.gz DJZBAUWLBVDOSO-GFCCVEGCSA-N 0 3 195.281 3.005 20 0 AGADHN CC[C@H](NCCF)c1cccc(C)c1 308475156 491106307 /nfs/dbraw/zinc/10/63/07/491106307.db2.gz DJZBAUWLBVDOSO-LBPRGKRZSA-N 0 3 195.281 3.005 20 0 AGADHN CC(C)=CCCNCc1ccc(C)o1 308492438 491107550 /nfs/dbraw/zinc/10/75/50/491107550.db2.gz CDMYTBQTXAGFKX-UHFFFAOYSA-N 0 3 193.290 3.034 20 0 AGADHN CCc1ccc([C@@H](C)NC2CCC2)o1 308621029 491114627 /nfs/dbraw/zinc/11/46/27/491114627.db2.gz TYEGWCISKADPDL-SECBINFHSA-N 0 3 193.290 3.045 20 0 AGADHN CCc1ccc([C@H](C)NC2CCC2)o1 308621031 491114630 /nfs/dbraw/zinc/11/46/30/491114630.db2.gz TYEGWCISKADPDL-VIFPVBQESA-N 0 3 193.290 3.045 20 0 AGADHN CC(C)=CCCNCc1occc1C 308648410 491115863 /nfs/dbraw/zinc/11/58/63/491115863.db2.gz JAAJXVSAGRIWKK-UHFFFAOYSA-N 0 3 193.290 3.034 20 0 AGADHN CC(C)=CCCN[C@@H](C)c1ccco1 308657062 491116309 /nfs/dbraw/zinc/11/63/09/491116309.db2.gz OPBXDCNQPKJTAY-NSHDSACASA-N 0 3 193.290 3.287 20 0 AGADHN CC(C)=CCCN[C@H](C)c1ccco1 308657061 491116398 /nfs/dbraw/zinc/11/63/98/491116398.db2.gz OPBXDCNQPKJTAY-LLVKDONJSA-N 0 3 193.290 3.287 20 0 AGADHN C[C@H](NCCC1(C)CC1)c1ccco1 308667190 491116724 /nfs/dbraw/zinc/11/67/24/491116724.db2.gz TUCWQOYYIVFPBF-JTQLQIEISA-N 0 3 193.290 3.120 20 0 AGADHN C[C@@H](NCCC1(C)CC1)c1ccco1 308667191 491116774 /nfs/dbraw/zinc/11/67/74/491116774.db2.gz TUCWQOYYIVFPBF-SNVBAGLBSA-N 0 3 193.290 3.120 20 0 AGADHN CC[C@@H](N[C@H](C)CF)c1ccccc1 308719809 491117807 /nfs/dbraw/zinc/11/78/07/491117807.db2.gz COUQKCFLUNLUSH-ZYHUDNBSSA-N 0 3 195.281 3.085 20 0 AGADHN CC[C@H](N[C@H](C)CF)c1ccccc1 308719807 491117878 /nfs/dbraw/zinc/11/78/78/491117878.db2.gz COUQKCFLUNLUSH-PWSUYJOCSA-N 0 3 195.281 3.085 20 0 AGADHN CCCN[C@@H](C)c1c(F)cccc1F 19427307 1188766815 /nfs/dbraw/zinc/76/68/15/1188766815.db2.gz DEWLNVLVXXHDNA-QMMMGPOBSA-N 0 3 199.244 3.025 20 0 AGADHN CCCCN(C/C=C\Cl)C1CC1 379333408 697827349 /nfs/dbraw/zinc/82/73/49/697827349.db2.gz KIGYSBVUTUJCSN-DAXSKMNVSA-N 0 3 187.714 3.003 20 0 AGADHN CCCCN(C/C=C/Cl)C1CC1 379333409 697827495 /nfs/dbraw/zinc/82/74/95/697827495.db2.gz KIGYSBVUTUJCSN-QPJJXVBHSA-N 0 3 187.714 3.003 20 0 AGADHN CC[C@H](N)c1cc2ccccc2s1 74271267 343571672 /nfs/dbraw/zinc/57/16/72/343571672.db2.gz AKKGPUPELJCYJM-VIFPVBQESA-N 0 3 191.299 3.311 20 0 AGADHN CC[C@@H](N)c1cc2ccccc2s1 74271269 343571696 /nfs/dbraw/zinc/57/16/96/343571696.db2.gz AKKGPUPELJCYJM-SECBINFHSA-N 0 3 191.299 3.311 20 0 AGADHN C[C@@H](CNCc1ccco1)C(C)(C)C 96610348 343700197 /nfs/dbraw/zinc/70/01/97/343700197.db2.gz NXOHGIVGAOLSDD-JTQLQIEISA-N 0 3 195.306 3.051 20 0 AGADHN CCCC(C)(C)NCc1occc1C 126809635 343798064 /nfs/dbraw/zinc/79/80/64/343798064.db2.gz CHENXOGPENASBI-UHFFFAOYSA-N 0 3 195.306 3.256 20 0 AGADHN Cc1ccoc1CNC1(C)CCCC1 126759174 343796849 /nfs/dbraw/zinc/79/68/49/343796849.db2.gz NTNGSNCHMZUDGB-UHFFFAOYSA-N 0 3 193.290 3.010 20 0 AGADHN CCC(CC)C[C@H](N)c1ccco1 128091006 343824834 /nfs/dbraw/zinc/82/48/34/343824834.db2.gz DJFBTXOAXBQWGY-JTQLQIEISA-N 0 3 181.279 3.106 20 0 AGADHN CC(C)(C)C[C@H](N)c1cccs1 19842151 166357191 /nfs/dbraw/zinc/35/71/91/166357191.db2.gz PZQVDDRDEBDDBA-QMMMGPOBSA-N 0 3 183.320 3.184 20 0 AGADHN CC(C)(C)C[C@@H](N)c1cccs1 19842147 166357886 /nfs/dbraw/zinc/35/78/86/166357886.db2.gz PZQVDDRDEBDDBA-MRVPVSSYSA-N 0 3 183.320 3.184 20 0 AGADHN CC(C)C[C@@H](N)c1cc(F)ccc1F 19969465 166487096 /nfs/dbraw/zinc/48/70/96/166487096.db2.gz VTLBKVMCQFVFKC-LLVKDONJSA-N 0 3 199.244 3.011 20 0 AGADHN CCCN[C@H](C)c1c(F)cccc1F 19427309 167000711 /nfs/dbraw/zinc/00/07/11/167000711.db2.gz DEWLNVLVXXHDNA-MRVPVSSYSA-N 0 3 199.244 3.025 20 0 AGADHN CCC[C@@H](C)N[C@@H](C)c1ccco1 19902834 167034524 /nfs/dbraw/zinc/03/45/24/167034524.db2.gz FUHDODAMXCSGAQ-ZJUUUORDSA-N 0 3 181.279 3.119 20 0 AGADHN CCC[C@@H](C)N[C@H](C)c1ccc(C)o1 19902868 167034854 /nfs/dbraw/zinc/03/48/54/167034854.db2.gz PLUQEUSBSZYZQN-MWLCHTKSSA-N 0 3 195.306 3.427 20 0 AGADHN CCC[C@@H](C)NCc1ccc(CC)o1 51721218 167035095 /nfs/dbraw/zinc/03/50/95/167035095.db2.gz JMZMVGLRBKJXTD-SNVBAGLBSA-N 0 3 195.306 3.120 20 0 AGADHN CCC[C@@H](C)NCc1ccccc1F 19903071 167035602 /nfs/dbraw/zinc/03/56/02/167035602.db2.gz NADCZWPLUVENOD-SNVBAGLBSA-N 0 3 195.281 3.104 20 0 AGADHN CCC[C@@H](C)N[C@H](C)c1ccco1 19902836 167036382 /nfs/dbraw/zinc/03/63/82/167036382.db2.gz FUHDODAMXCSGAQ-NXEZZACHSA-N 0 3 181.279 3.119 20 0 AGADHN CCC[C@@H](C)N[C@@H](C)c1ccc(C)o1 19902865 167036422 /nfs/dbraw/zinc/03/64/22/167036422.db2.gz PLUQEUSBSZYZQN-KOLCDFICSA-N 0 3 195.306 3.427 20 0 AGADHN CCC[C@@H](N)c1cc2ccccc2o1 59173115 167048064 /nfs/dbraw/zinc/04/80/64/167048064.db2.gz LWEBUMRBYYUFSZ-SNVBAGLBSA-N 0 3 189.258 3.233 20 0 AGADHN CCC[C@H](C)N[C@H](C)c1ccco1 19902837 167069481 /nfs/dbraw/zinc/06/94/81/167069481.db2.gz FUHDODAMXCSGAQ-VHSXEESVSA-N 0 3 181.279 3.119 20 0 AGADHN CCC[C@H](C)NCc1ccccc1F 19903072 167069891 /nfs/dbraw/zinc/06/98/91/167069891.db2.gz NADCZWPLUVENOD-JTQLQIEISA-N 0 3 195.281 3.104 20 0 AGADHN CCC[C@H](C)N[C@H](C)c1ccc(C)o1 19902869 167070447 /nfs/dbraw/zinc/07/04/47/167070447.db2.gz PLUQEUSBSZYZQN-GXSJLCMTSA-N 0 3 195.306 3.427 20 0 AGADHN CCC[C@H](C)N[C@@H](C)c1ccc(C)o1 19902867 167070880 /nfs/dbraw/zinc/07/08/80/167070880.db2.gz PLUQEUSBSZYZQN-ONGXEEELSA-N 0 3 195.306 3.427 20 0 AGADHN CCC[C@H](C)N[C@@H](C)c1ccco1 19902835 167071260 /nfs/dbraw/zinc/07/12/60/167071260.db2.gz FUHDODAMXCSGAQ-UWVGGRQHSA-N 0 3 181.279 3.119 20 0 AGADHN CCC[C@H](C)NCc1ccc(CC)o1 51721221 167071707 /nfs/dbraw/zinc/07/17/07/167071707.db2.gz JMZMVGLRBKJXTD-JTQLQIEISA-N 0 3 195.306 3.120 20 0 AGADHN CCC[C@H](N)c1cc2ccccc2o1 59173114 167083336 /nfs/dbraw/zinc/08/33/36/167083336.db2.gz LWEBUMRBYYUFSZ-JTQLQIEISA-N 0 3 189.258 3.233 20 0 AGADHN CCN[C@@H](C)c1ccccc1Cl 19474104 167283911 /nfs/dbraw/zinc/28/39/11/167283911.db2.gz GXZBMPVSCWKTTJ-QMMMGPOBSA-N 0 3 183.682 3.011 20 0 AGADHN CCN[C@@H](c1ccc(C)o1)C1CCC1 49844663 167287591 /nfs/dbraw/zinc/28/75/91/167287591.db2.gz QTZNLEGYWJEEHT-GFCCVEGCSA-N 0 3 193.290 3.039 20 0 AGADHN CCN[C@H](C)c1ccccc1Cl 19474105 167299691 /nfs/dbraw/zinc/29/96/91/167299691.db2.gz GXZBMPVSCWKTTJ-MRVPVSSYSA-N 0 3 183.682 3.011 20 0 AGADHN CCN[C@H](c1ccc(C)o1)C1CCC1 49844664 167301044 /nfs/dbraw/zinc/30/10/44/167301044.db2.gz QTZNLEGYWJEEHT-LBPRGKRZSA-N 0 3 193.290 3.039 20 0 AGADHN C[C@@H](CF)NC1CC2(CCCCC2)C1 335180562 168341866 /nfs/dbraw/zinc/34/18/66/168341866.db2.gz VJHSNQRIAPNWGA-JTQLQIEISA-N 0 3 199.313 3.047 20 0 AGADHN C[C@@H](N)c1ccc(-c2ccco2)s1 96034680 168370622 /nfs/dbraw/zinc/37/06/22/168370622.db2.gz YFLMDUCLKQHRNM-SSDOTTSWSA-N 0 3 193.271 3.028 20 0 AGADHN C[C@@H](NC1CCC1)c1ccccc1F 44481743 168378495 /nfs/dbraw/zinc/37/84/95/168378495.db2.gz WNKDBRZHEFETGR-SECBINFHSA-N 0 3 193.265 3.029 20 0 AGADHN C[C@@H](NC1CCCCC1)c1ccco1 19879019 168379128 /nfs/dbraw/zinc/37/91/28/168379128.db2.gz GCMGJNKCIGGPTO-SNVBAGLBSA-N 0 3 193.290 3.263 20 0 AGADHN C[C@@H](NCCC(C)(C)C)c1ccco1 37489018 168382254 /nfs/dbraw/zinc/38/22/54/168382254.db2.gz OWLLYXQEBJUMFX-SNVBAGLBSA-N 0 3 195.306 3.366 20 0 AGADHN C[C@@H](N[C@@H]1CCC1(C)C)c1ccco1 306333245 168383282 /nfs/dbraw/zinc/38/32/82/168383282.db2.gz SPUSJIMTTXJPDQ-MWLCHTKSSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@@H](N[C@H]1CCC1(C)C)c1ccco1 306333244 168385573 /nfs/dbraw/zinc/38/55/73/168385573.db2.gz SPUSJIMTTXJPDQ-KOLCDFICSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](NC1CCCCC1)c1ccco1 19879021 168565693 /nfs/dbraw/zinc/56/56/93/168565693.db2.gz GCMGJNKCIGGPTO-JTQLQIEISA-N 0 3 193.290 3.263 20 0 AGADHN Cc1sccc1CN(C)C1CCC1 335798429 169014423 /nfs/dbraw/zinc/01/44/23/169014423.db2.gz ZVXPPKDEMUECDI-UHFFFAOYSA-N 0 3 195.331 3.041 20 0 AGADHN N[C@@H](c1ccco1)C1CCCCCC1 53714400 169249839 /nfs/dbraw/zinc/24/98/39/169249839.db2.gz MFQFZRBTWSWHIF-GFCCVEGCSA-N 0 3 193.290 3.250 20 0 AGADHN N[C@H](c1ccco1)C1CCCCCC1 53714402 169269492 /nfs/dbraw/zinc/26/94/92/169269492.db2.gz MFQFZRBTWSWHIF-LBPRGKRZSA-N 0 3 193.290 3.250 20 0 AGADHN C[C@H](N[C@@H]1CCC1(C)C)c1ccco1 306794293 345619849 /nfs/dbraw/zinc/61/98/49/345619849.db2.gz SPUSJIMTTXJPDQ-GXSJLCMTSA-N 0 3 193.290 3.119 20 0 AGADHN CCCCCN(CC)Cc1ccoc1 605150330 346969363 /nfs/dbraw/zinc/96/93/63/346969363.db2.gz INVDJYAPHDAVEW-UHFFFAOYSA-N 0 3 195.306 3.292 20 0 AGADHN CC(C)N1CC(C)(C)[C@@H]1c1ccco1 639926053 347540121 /nfs/dbraw/zinc/54/01/21/347540121.db2.gz SQPZFXUCZMOETJ-NSHDSACASA-N 0 3 193.290 3.071 20 0 AGADHN CCCN1CC(C)(C)[C@H]1c1ccco1 639926183 347540414 /nfs/dbraw/zinc/54/04/14/347540414.db2.gz JUSPLVYEZCNHEZ-LLVKDONJSA-N 0 3 193.290 3.073 20 0 AGADHN CC(C)N1CC(C)(C)[C@H]1c1ccco1 639926052 347540466 /nfs/dbraw/zinc/54/04/66/347540466.db2.gz SQPZFXUCZMOETJ-LLVKDONJSA-N 0 3 193.290 3.071 20 0 AGADHN C/C(Cl)=C\CN1CCCCCC1 528349444 325656742 /nfs/dbraw/zinc/65/67/42/325656742.db2.gz NMEOPEASCUHSQP-UXBLZVDNSA-N 0 3 187.714 3.005 20 0 AGADHN CC(C)N[C@H](C)c1c(F)cccc1F 19880543 343062897 /nfs/dbraw/zinc/06/28/97/343062897.db2.gz BJBAZONYQCAKQK-MRVPVSSYSA-N 0 3 199.244 3.024 20 0 AGADHN CC(C)N[C@@H](C)c1c(F)cccc1F 19880540 343063044 /nfs/dbraw/zinc/06/30/44/343063044.db2.gz BJBAZONYQCAKQK-QMMMGPOBSA-N 0 3 199.244 3.024 20 0 AGADHN Cc1ccc([C@@H](C)NC2CCCC2)o1 19883483 343063357 /nfs/dbraw/zinc/06/33/57/343063357.db2.gz WZVZYYHGTSEMPC-SNVBAGLBSA-N 0 3 193.290 3.181 20 0 AGADHN Cc1ccc([C@H](C)NC2CCCC2)o1 19883484 343063448 /nfs/dbraw/zinc/06/34/48/343063448.db2.gz WZVZYYHGTSEMPC-JTQLQIEISA-N 0 3 193.290 3.181 20 0 AGADHN CCCCCN[C@@H](C)c1ccco1 19901375 343063705 /nfs/dbraw/zinc/06/37/05/343063705.db2.gz SQCKEOVPLYHPSA-JTQLQIEISA-N 0 3 181.279 3.120 20 0 AGADHN CCCCCN[C@H](C)c1ccco1 19901377 343063739 /nfs/dbraw/zinc/06/37/39/343063739.db2.gz SQCKEOVPLYHPSA-SNVBAGLBSA-N 0 3 181.279 3.120 20 0 AGADHN CCCCN[C@@H](C)c1ccccc1F 19906997 343064050 /nfs/dbraw/zinc/06/40/50/343064050.db2.gz GPTPGWQNNZCDEW-JTQLQIEISA-N 0 3 195.281 3.276 20 0 AGADHN Cc1ccc([C@H](C)NCCC(C)C)o1 19912001 343064107 /nfs/dbraw/zinc/06/41/07/343064107.db2.gz VRUIYCYCHVELTP-NSHDSACASA-N 0 3 195.306 3.285 20 0 AGADHN CCCCN[C@H](C)c1ccccc1F 19906998 343064174 /nfs/dbraw/zinc/06/41/74/343064174.db2.gz GPTPGWQNNZCDEW-SNVBAGLBSA-N 0 3 195.281 3.276 20 0 AGADHN Cc1ccc([C@@H](C)NCCC(C)C)o1 19912002 343064228 /nfs/dbraw/zinc/06/42/28/343064228.db2.gz VRUIYCYCHVELTP-LLVKDONJSA-N 0 3 195.306 3.285 20 0 AGADHN CCCC[C@H](N)c1cc(F)ccc1F 19969544 343065966 /nfs/dbraw/zinc/06/59/66/343065966.db2.gz JHCDGMBSKAFZBG-NSHDSACASA-N 0 3 199.244 3.155 20 0 AGADHN CCCC[C@@H](N)c1cc(F)ccc1F 19969543 343065998 /nfs/dbraw/zinc/06/59/98/343065998.db2.gz JHCDGMBSKAFZBG-LLVKDONJSA-N 0 3 199.244 3.155 20 0 AGADHN CCN(CC)Cc1ccccc1Cl 27831256 343091162 /nfs/dbraw/zinc/09/11/62/343091162.db2.gz ZETGIYWDDOIVBT-UHFFFAOYSA-N 0 3 197.709 3.182 20 0 AGADHN CN1CCC[C@H]1c1ccc(Cl)cc1 28106642 343091930 /nfs/dbraw/zinc/09/19/30/343091930.db2.gz IPUNESKKHWBPCW-NSHDSACASA-N 0 3 195.693 3.107 20 0 AGADHN CN1CCC[C@@H]1c1ccc(Cl)cc1 28106637 343092054 /nfs/dbraw/zinc/09/20/54/343092054.db2.gz IPUNESKKHWBPCW-LLVKDONJSA-N 0 3 195.693 3.107 20 0 AGADHN CC1(C)CN=C(Cc2ccccc2)C1 34027476 343108966 /nfs/dbraw/zinc/10/89/66/343108966.db2.gz IDLOIKCKXBJPPI-UHFFFAOYSA-N 0 3 187.286 3.100 20 0 AGADHN CCN[C@H](CC)c1ccc(F)cc1F 35547315 343133273 /nfs/dbraw/zinc/13/32/73/343133273.db2.gz LOYOZMSMBGSKAK-LLVKDONJSA-N 0 3 199.244 3.025 20 0 AGADHN CCN[C@@H](CC)c1ccc(F)cc1F 35547313 343133385 /nfs/dbraw/zinc/13/33/85/343133385.db2.gz LOYOZMSMBGSKAK-NSHDSACASA-N 0 3 199.244 3.025 20 0 AGADHN Cc1ccoc1CNC1CCCCC1 37927378 343182287 /nfs/dbraw/zinc/18/22/87/343182287.db2.gz BQHJMTSMLFBURU-UHFFFAOYSA-N 0 3 193.290 3.010 20 0 AGADHN Cc1ccc([C@@H](C)NCC(C)(C)C)o1 40492520 343219222 /nfs/dbraw/zinc/21/92/22/343219222.db2.gz JVCUXPHCJAJRDA-SNVBAGLBSA-N 0 3 195.306 3.285 20 0 AGADHN Cc1ccc([C@H](C)NCC(C)(C)C)o1 40492521 343219242 /nfs/dbraw/zinc/21/92/42/343219242.db2.gz JVCUXPHCJAJRDA-JTQLQIEISA-N 0 3 195.306 3.285 20 0 AGADHN Cc1ccc(CNC2(C)CCCC2)o1 42176349 343237412 /nfs/dbraw/zinc/23/74/12/343237412.db2.gz KAOOWVBUQJCBQZ-UHFFFAOYSA-N 0 3 193.290 3.010 20 0 AGADHN C[C@H](NC1CCC1)c1ccccc1F 44481742 343266699 /nfs/dbraw/zinc/26/66/99/343266699.db2.gz WNKDBRZHEFETGR-VIFPVBQESA-N 0 3 193.265 3.029 20 0 AGADHN Cc1cc([C@H](C)NC2CCC2)c(C)o1 44730082 343269003 /nfs/dbraw/zinc/26/90/03/343269003.db2.gz ITYRGKVBVAEMGW-VIFPVBQESA-N 0 3 193.290 3.100 20 0 AGADHN Cc1cc([C@@H](C)NC2CCC2)c(C)o1 44730081 343269023 /nfs/dbraw/zinc/26/90/23/343269023.db2.gz ITYRGKVBVAEMGW-SECBINFHSA-N 0 3 193.290 3.100 20 0 AGADHN CC1(NCc2ccco2)CCCCC1 45042358 343270591 /nfs/dbraw/zinc/27/05/91/343270591.db2.gz LZANKKBJZQFWQD-UHFFFAOYSA-N 0 3 193.290 3.092 20 0 AGADHN CC[C@@H](C)NCc1cc(C)ccc1F 52982948 343311809 /nfs/dbraw/zinc/31/18/09/343311809.db2.gz TUIMQKOARAAVED-SNVBAGLBSA-N 0 3 195.281 3.022 20 0 AGADHN CCCCNCc1cc(C)ccc1F 52982908 343312022 /nfs/dbraw/zinc/31/20/22/343312022.db2.gz QZXOHVHMXLVOBD-UHFFFAOYSA-N 0 3 195.281 3.024 20 0 AGADHN CC[C@H](C)NCc1cc(C)ccc1F 52982950 343312193 /nfs/dbraw/zinc/31/21/93/343312193.db2.gz TUIMQKOARAAVED-JTQLQIEISA-N 0 3 195.281 3.022 20 0 AGADHN CCC(CC)CNCc1ccc(C)o1 53035754 343312463 /nfs/dbraw/zinc/31/24/63/343312463.db2.gz QHEYGHIZYKKFIF-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN CCCCP1CCCC1 59287816 343343718 /nfs/dbraw/zinc/34/37/18/343343718.db2.gz HUWKILZNNQBKKT-UHFFFAOYSA-N 0 3 144.198 3.062 20 0 AGADHN CCCC[C@H](CC)NCc1ccco1 68985169 343419675 /nfs/dbraw/zinc/41/96/75/343419675.db2.gz SSQNGIOXECYCSK-NSHDSACASA-N 0 3 195.306 3.338 20 0 AGADHN CCCC[C@@H](CC)NCc1ccco1 68985167 343419705 /nfs/dbraw/zinc/41/97/05/343419705.db2.gz SSQNGIOXECYCSK-LLVKDONJSA-N 0 3 195.306 3.338 20 0 AGADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccco1 70643079 343514398 /nfs/dbraw/zinc/51/43/98/343514398.db2.gz VTKWMFBCNCPXNX-OUAUKWLOSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccco1 70643077 343514481 /nfs/dbraw/zinc/51/44/81/343514481.db2.gz VTKWMFBCNCPXNX-VWYCJHECSA-N 0 3 193.290 3.119 20 0 AGADHN CCCC[C@@H](N)c1c(F)cccc1F 78676982 343583861 /nfs/dbraw/zinc/58/38/61/343583861.db2.gz CWPDCDVFDAENRT-SNVBAGLBSA-N 0 3 199.244 3.155 20 0 AGADHN CCCC[C@H](N)c1c(F)cccc1F 78676979 343583864 /nfs/dbraw/zinc/58/38/64/343583864.db2.gz CWPDCDVFDAENRT-JTQLQIEISA-N 0 3 199.244 3.155 20 0 AGADHN CC1CCC([C@H](N)c2ccco2)CC1 82193882 343595903 /nfs/dbraw/zinc/59/59/03/343595903.db2.gz JRBRBHAMRWWGTQ-CBINBANVSA-N 0 3 193.290 3.106 20 0 AGADHN CC1CCC([C@@H](N)c2ccco2)CC1 82193885 343596116 /nfs/dbraw/zinc/59/61/16/343596116.db2.gz JRBRBHAMRWWGTQ-RTYFJBAXSA-N 0 3 193.290 3.106 20 0 AGADHN CC[C@@H](C)C[C@H](C)NCc1ccco1 83863421 343626611 /nfs/dbraw/zinc/62/66/11/343626611.db2.gz RLJOAPSSXCUMGC-MNOVXSKESA-N 0 3 195.306 3.194 20 0 AGADHN CC[C@H](C)C[C@@H](C)NCc1ccco1 83863420 343626861 /nfs/dbraw/zinc/62/68/61/343626861.db2.gz RLJOAPSSXCUMGC-WDEREUQCSA-N 0 3 195.306 3.194 20 0 AGADHN CC[C@@H](C)C[C@@H](C)NCc1ccco1 83863419 343626989 /nfs/dbraw/zinc/62/69/89/343626989.db2.gz RLJOAPSSXCUMGC-GHMZBOCLSA-N 0 3 195.306 3.194 20 0 AGADHN CC[C@H](C)C[C@H](C)NCc1ccco1 83863422 343626998 /nfs/dbraw/zinc/62/69/98/343626998.db2.gz RLJOAPSSXCUMGC-QWRGUYRKSA-N 0 3 195.306 3.194 20 0 AGADHN C[C@H](N[C@H]1CC=CCC1)c1ccco1 84066640 343630443 /nfs/dbraw/zinc/63/04/43/343630443.db2.gz MVNXCKDCVUWPIF-QWRGUYRKSA-N 0 3 191.274 3.039 20 0 AGADHN C[C@H](N[C@@H]1CC=CCC1)c1ccco1 84066642 343630674 /nfs/dbraw/zinc/63/06/74/343630674.db2.gz MVNXCKDCVUWPIF-WDEREUQCSA-N 0 3 191.274 3.039 20 0 AGADHN CC[C@@H](N)c1cc(C(C)C)c(C)o1 91351762 343677410 /nfs/dbraw/zinc/67/74/10/343677410.db2.gz KXWWRDHKXRRUNF-SNVBAGLBSA-N 0 3 181.279 3.121 20 0 in-vitro AGADHN C[C@H](N)c1ccc(-c2ccco2)s1 96034679 343694544 /nfs/dbraw/zinc/69/45/44/343694544.db2.gz YFLMDUCLKQHRNM-ZETCQYMHSA-N 0 3 193.271 3.028 20 0 AGADHN C[C@H](CNCc1ccco1)C(C)(C)C 96610350 343700306 /nfs/dbraw/zinc/70/03/06/343700306.db2.gz NXOHGIVGAOLSDD-SNVBAGLBSA-N 0 3 195.306 3.051 20 0 AGADHN CCCC(C)(C)NCc1ccc(C)o1 123199185 343782440 /nfs/dbraw/zinc/78/24/40/343782440.db2.gz GXHZUJCBQHAJHX-UHFFFAOYSA-N 0 3 195.306 3.256 20 0 AGADHN Cc1cc(C)nc(NCC(C)(C)C)c1 125258812 343790163 /nfs/dbraw/zinc/79/01/63/343790163.db2.gz SZRQRQZGBABPEZ-UHFFFAOYSA-N 0 3 192.306 3.156 20 0 AGADHN Cc1ccoc1CNCCCC(C)C 126646048 343795436 /nfs/dbraw/zinc/79/54/36/343795436.db2.gz AZLFQCISFWEFNO-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN Cc1ccoc1CNCCC(C)(C)C 126650219 343795560 /nfs/dbraw/zinc/79/55/60/343795560.db2.gz ZVQFQDWAOYQINR-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN CCC(CC)C[C@@H](N)c1ccco1 128091264 343824500 /nfs/dbraw/zinc/82/45/00/343824500.db2.gz DJFBTXOAXBQWGY-SNVBAGLBSA-N 0 3 181.279 3.106 20 0 AGADHN CC(C)N[C@H](C)c1cccc(F)c1F 132403947 343897761 /nfs/dbraw/zinc/89/77/61/343897761.db2.gz MJZLKJDXRMKZKG-MRVPVSSYSA-N 0 3 199.244 3.024 20 0 AGADHN CC(C)N[C@@H](C)c1cccc(F)c1F 132403754 343897786 /nfs/dbraw/zinc/89/77/86/343897786.db2.gz MJZLKJDXRMKZKG-QMMMGPOBSA-N 0 3 199.244 3.024 20 0 AGADHN Cc1ccc(CN[C@@H](C)C(C)(C)C)o1 132845215 343905698 /nfs/dbraw/zinc/90/56/98/343905698.db2.gz XZBHAZHGCJXAGS-JTQLQIEISA-N 0 3 195.306 3.112 20 0 AGADHN Cc1ccc(CN[C@H](C)C(C)(C)C)o1 132845434 343905602 /nfs/dbraw/zinc/90/56/02/343905602.db2.gz XZBHAZHGCJXAGS-SNVBAGLBSA-N 0 3 195.306 3.112 20 0 AGADHN CCC(CC)C[C@H](N)c1ccc(C)o1 133381412 343917968 /nfs/dbraw/zinc/91/79/68/343917968.db2.gz IHHBFNYDZCFGOC-NSHDSACASA-N 0 3 195.306 3.414 20 0 AGADHN CCC(CC)C[C@@H](N)c1ccc(C)o1 133381636 343917973 /nfs/dbraw/zinc/91/79/73/343917973.db2.gz IHHBFNYDZCFGOC-LLVKDONJSA-N 0 3 195.306 3.414 20 0 AGADHN CC(C)(C)CCCNCc1ccco1 164311474 344241408 /nfs/dbraw/zinc/24/14/08/344241408.db2.gz MTEFYUDVWQBGFA-UHFFFAOYSA-N 0 3 195.306 3.196 20 0 AGADHN CCCCCN1Cc2ccccc2C1 220205367 344430906 /nfs/dbraw/zinc/43/09/06/344430906.db2.gz KEOPAMHHEROYQR-UHFFFAOYSA-N 0 3 189.302 3.192 20 0 AGADHN CC[C@H](C)N(C)Cc1ccccc1F 231589774 344654918 /nfs/dbraw/zinc/65/49/18/344654918.db2.gz JYEBYANVJOIGIW-JTQLQIEISA-N 0 3 195.281 3.056 20 0 AGADHN CC[C@@H](C)N(C)Cc1ccccc1F 231589764 344655151 /nfs/dbraw/zinc/65/51/51/344655151.db2.gz JYEBYANVJOIGIW-SNVBAGLBSA-N 0 3 195.281 3.056 20 0 AGADHN C=CCNCc1ccccc1C(C)C 238166985 344794422 /nfs/dbraw/zinc/79/44/22/344794422.db2.gz ANPFMZFSCFDZPK-UHFFFAOYSA-N 0 3 189.302 3.086 20 0 AGADHN CCN(C)[C@H](C)c1ccccc1Cl 306219640 345111843 /nfs/dbraw/zinc/11/18/43/345111843.db2.gz GTPNMVOCYLOMQV-SECBINFHSA-N 0 3 197.709 3.353 20 0 AGADHN CCN(C)[C@@H](C)c1ccccc1Cl 306219641 345112144 /nfs/dbraw/zinc/11/21/44/345112144.db2.gz GTPNMVOCYLOMQV-VIFPVBQESA-N 0 3 197.709 3.353 20 0 AGADHN CN(CCF)C1CCCCCCC1 306220768 345113825 /nfs/dbraw/zinc/11/38/25/345113825.db2.gz OMHBKQWWGZGYLB-UHFFFAOYSA-N 0 3 187.302 3.001 20 0 AGADHN Cc1cc([C@H](C)NC2CCC2)oc1C 306693920 345551521 /nfs/dbraw/zinc/55/15/21/345551521.db2.gz RWXNXSMSRDGXDM-VIFPVBQESA-N 0 3 193.290 3.100 20 0 AGADHN Cc1cc([C@@H](C)NC2CCC2)oc1C 306693919 345551547 /nfs/dbraw/zinc/55/15/47/345551547.db2.gz RWXNXSMSRDGXDM-SECBINFHSA-N 0 3 193.290 3.100 20 0 AGADHN C[C@H](N[C@H]1CCC1(C)C)c1ccco1 306794294 345619793 /nfs/dbraw/zinc/61/97/93/345619793.db2.gz SPUSJIMTTXJPDQ-ONGXEEELSA-N 0 3 193.290 3.119 20 0 AGADHN CCC[C@@H](C)N(C)CCC(F)(F)F 308359519 346292272 /nfs/dbraw/zinc/29/22/72/346292272.db2.gz LVBBHDPPHBJLHE-MRVPVSSYSA-N 0 3 197.244 3.059 20 0 AGADHN CCC[C@H](C)N(C)CCC(F)(F)F 308359521 346292466 /nfs/dbraw/zinc/29/24/66/346292466.db2.gz LVBBHDPPHBJLHE-QMMMGPOBSA-N 0 3 197.244 3.059 20 0 AGADHN CCCCN(C)[C@H](C)c1ccco1 308505640 346309058 /nfs/dbraw/zinc/30/90/58/346309058.db2.gz ZAWAXHUCJOMSRH-SNVBAGLBSA-N 0 3 181.279 3.073 20 0 AGADHN CCCCN(C)[C@@H](C)c1ccco1 308505639 346309094 /nfs/dbraw/zinc/30/90/94/346309094.db2.gz ZAWAXHUCJOMSRH-JTQLQIEISA-N 0 3 181.279 3.073 20 0 AGADHN C[C@H](CF)NC1CC2(CCCCC2)C1 335180563 346382215 /nfs/dbraw/zinc/38/22/15/346382215.db2.gz VJHSNQRIAPNWGA-SNVBAGLBSA-N 0 3 199.313 3.047 20 0 AGADHN CCN(CCC(C)C)Cc1ccoc1 588169035 346765841 /nfs/dbraw/zinc/76/58/41/346765841.db2.gz OVEYWJOYSAIORF-UHFFFAOYSA-N 0 3 195.306 3.148 20 0 AGADHN CN(CCC(C)(C)C)Cc1ccoc1 602877238 346947867 /nfs/dbraw/zinc/94/78/67/346947867.db2.gz PADOJLUJAVZCQY-UHFFFAOYSA-N 0 3 195.306 3.148 20 0 AGADHN C[C@@H](c1ccco1)N(C)CCC1CC1 608493579 347004343 /nfs/dbraw/zinc/00/43/43/347004343.db2.gz CQYNBTGPDPVOMX-JTQLQIEISA-N 0 3 193.290 3.073 20 0 AGADHN C[C@H](c1ccco1)N(C)CCC1CC1 608493580 347004564 /nfs/dbraw/zinc/00/45/64/347004564.db2.gz CQYNBTGPDPVOMX-SNVBAGLBSA-N 0 3 193.290 3.073 20 0 AGADHN C[C@@H](c1ccco1)N(C)CC1CCC1 608493621 347004954 /nfs/dbraw/zinc/00/49/54/347004954.db2.gz NFKQOEQDVFQEDB-JTQLQIEISA-N 0 3 193.290 3.073 20 0 AGADHN C[C@H](c1ccco1)N(C)CC1CCC1 608493622 347005319 /nfs/dbraw/zinc/00/53/19/347005319.db2.gz NFKQOEQDVFQEDB-SNVBAGLBSA-N 0 3 193.290 3.073 20 0 AGADHN CCN(CC)[C@H](C)c1ccccc1F 613431855 347059210 /nfs/dbraw/zinc/05/92/10/347059210.db2.gz NFOKTSANRYOJKI-SNVBAGLBSA-N 0 3 195.281 3.229 20 0 AGADHN CCN(CC)[C@@H](C)c1ccccc1F 613431854 347059480 /nfs/dbraw/zinc/05/94/80/347059480.db2.gz NFOKTSANRYOJKI-JTQLQIEISA-N 0 3 195.281 3.229 20 0 AGADHN CCCN(C)[C@H](C)c1ccccc1F 613464778 347060277 /nfs/dbraw/zinc/06/02/77/347060277.db2.gz LUGOVFYTPYGCPW-SNVBAGLBSA-N 0 3 195.281 3.229 20 0 AGADHN CCCN(C)[C@@H](C)c1ccccc1F 613464774 347060283 /nfs/dbraw/zinc/06/02/83/347060283.db2.gz LUGOVFYTPYGCPW-JTQLQIEISA-N 0 3 195.281 3.229 20 0 AGADHN Cc1occc1CN(C)CCC(C)C 618986929 347196244 /nfs/dbraw/zinc/19/62/44/347196244.db2.gz TXDYYAFPDCLTSN-UHFFFAOYSA-N 0 3 195.306 3.066 20 0 AGADHN CCCN(Cc1ccsc1)C1CC1 620749219 347217797 /nfs/dbraw/zinc/21/77/97/347217797.db2.gz IPXGIYOBHVDKKV-UHFFFAOYSA-N 0 3 195.331 3.123 20 0 AGADHN CN(Cc1ccco1)C1CCCCC1 621114115 347222747 /nfs/dbraw/zinc/22/27/47/347222747.db2.gz IGJDNEQDFABRFU-UHFFFAOYSA-N 0 3 193.290 3.044 20 0 AGADHN CC(C)CCN(C)[C@H](C)c1ccco1 621277989 347224703 /nfs/dbraw/zinc/22/47/03/347224703.db2.gz RTIBVZMRZIJWSD-LLVKDONJSA-N 0 3 195.306 3.319 20 0 AGADHN CCCN(CC)Cc1ccccc1F 621271227 347224999 /nfs/dbraw/zinc/22/49/99/347224999.db2.gz NEYVHAMUHSMQOC-UHFFFAOYSA-N 0 3 195.281 3.058 20 0 AGADHN CC(C)CCN(C)[C@@H](C)c1ccco1 621277990 347225009 /nfs/dbraw/zinc/22/50/09/347225009.db2.gz RTIBVZMRZIJWSD-NSHDSACASA-N 0 3 195.306 3.319 20 0 AGADHN CCCCCN(C)[C@H](C)c1ccco1 621315663 347225753 /nfs/dbraw/zinc/22/57/53/347225753.db2.gz VLNROZKJYHIWGL-LLVKDONJSA-N 0 3 195.306 3.463 20 0 AGADHN CCCCCN(C)[C@@H](C)c1ccco1 621315664 347225835 /nfs/dbraw/zinc/22/58/35/347225835.db2.gz VLNROZKJYHIWGL-NSHDSACASA-N 0 3 195.306 3.463 20 0 AGADHN CCCN1CC(C)(C)[C@@H]1c1ccco1 639926184 347540475 /nfs/dbraw/zinc/54/04/75/347540475.db2.gz JUSPLVYEZCNHEZ-NSHDSACASA-N 0 3 193.290 3.073 20 0 AGADHN CCCN1CCc2sccc2[C@H]1C 642620272 347596677 /nfs/dbraw/zinc/59/66/77/347596677.db2.gz PWSCTFHROQAKPE-SECBINFHSA-N 0 3 195.331 3.077 20 0 AGADHN CCCCN(Cc1ccco1)C1CC1 642619687 347596589 /nfs/dbraw/zinc/59/65/89/347596589.db2.gz IKKSWMKFRMIOEF-UHFFFAOYSA-N 0 3 193.290 3.044 20 0 AGADHN CCCN1CCc2sccc2[C@@H]1C 642620273 347596843 /nfs/dbraw/zinc/59/68/43/347596843.db2.gz PWSCTFHROQAKPE-VIFPVBQESA-N 0 3 195.331 3.077 20 0 AGADHN CC(C)CC[C@@H](C)NCc1ccco1 19404926 351389633 /nfs/dbraw/zinc/38/96/33/351389633.db2.gz DJBMYSQILMJSPV-LLVKDONJSA-N 0 3 195.306 3.194 20 0 AGADHN CC(C)CC[C@H](C)NCc1ccco1 19404929 351389669 /nfs/dbraw/zinc/38/96/69/351389669.db2.gz DJBMYSQILMJSPV-NSHDSACASA-N 0 3 195.306 3.194 20 0 AGADHN CC(C)C[C@H](N)c1cc(F)ccc1F 19969466 351399009 /nfs/dbraw/zinc/39/90/09/351399009.db2.gz VTLBKVMCQFVFKC-NSHDSACASA-N 0 3 199.244 3.011 20 0 AGADHN c1ccc2c(NCC3CC3)ccnc2c1 41720246 351520270 /nfs/dbraw/zinc/52/02/70/351520270.db2.gz MCISCBBBZXKLTI-UHFFFAOYSA-N 0 3 198.269 3.057 20 0 AGADHN c1ccc2c(NC3CCC3)ccnc2c1 52211363 351563851 /nfs/dbraw/zinc/56/38/51/351563851.db2.gz OAAQNRKHTRGFQQ-UHFFFAOYSA-N 0 3 198.269 3.199 20 0 AGADHN CC(C)C[C@@H](N)c1c(F)cccc1F 69759002 351598938 /nfs/dbraw/zinc/59/89/38/351598938.db2.gz ACERVXSNTOULHS-SNVBAGLBSA-N 0 3 199.244 3.011 20 0 AGADHN CC(C)C[C@H](N)c1c(F)cccc1F 69759001 351598954 /nfs/dbraw/zinc/59/89/54/351598954.db2.gz ACERVXSNTOULHS-JTQLQIEISA-N 0 3 199.244 3.011 20 0 AGADHN CC(C)N(C)Cc1ccccc1Cl 197680872 351778580 /nfs/dbraw/zinc/77/85/80/351778580.db2.gz BCGGAOYAPDJKCL-UHFFFAOYSA-N 0 3 197.709 3.180 20 0 AGADHN C/C(Cl)=C/CN(C(C)C)C1CC1 528349652 352176212 /nfs/dbraw/zinc/17/62/12/352176212.db2.gz IUVAIUOELLULAI-TWGQIWQCSA-N 0 3 187.714 3.002 20 0 AGADHN C/C(Cl)=C/CN1CCCC[C@H]1C 528346915 352176322 /nfs/dbraw/zinc/17/63/22/352176322.db2.gz WTAWKAOUUKVGFZ-ABRRARGCSA-N 0 3 187.714 3.003 20 0 AGADHN C/C(Cl)=C/CN(C)C1CCCC1 528343147 352176497 /nfs/dbraw/zinc/17/64/97/352176497.db2.gz BMSJTDZOJQLERM-CLFYSBASSA-N 0 3 187.714 3.003 20 0 AGADHN C/C(Cl)=C\CN1CCCC[C@H]1C 528346917 352176332 /nfs/dbraw/zinc/17/63/32/352176332.db2.gz WTAWKAOUUKVGFZ-OLKPEBQYSA-N 0 3 187.714 3.003 20 0 AGADHN C/C(Cl)=C\CN1CCCC[C@@H]1C 528346918 352176429 /nfs/dbraw/zinc/17/64/29/352176429.db2.gz WTAWKAOUUKVGFZ-ZKXNXJMVSA-N 0 3 187.714 3.003 20 0 AGADHN C/C(Cl)=C\CN(C)C1CCCC1 528343155 352176461 /nfs/dbraw/zinc/17/64/61/352176461.db2.gz BMSJTDZOJQLERM-VQHVLOKHSA-N 0 3 187.714 3.003 20 0 AGADHN C/C(Cl)=C\CN(C(C)C)C1CC1 528349650 352176626 /nfs/dbraw/zinc/17/66/26/352176626.db2.gz IUVAIUOELLULAI-RMKNXTFCSA-N 0 3 187.714 3.002 20 0 AGADHN C/C(Cl)=C/CN1CCCC[C@@H]1C 528346916 352176954 /nfs/dbraw/zinc/17/69/54/352176954.db2.gz WTAWKAOUUKVGFZ-MBACFSSFSA-N 0 3 187.714 3.003 20 0 AGADHN C/C(Cl)=C/CN1CCCCCC1 528349443 352176988 /nfs/dbraw/zinc/17/69/88/352176988.db2.gz NMEOPEASCUHSQP-POHAHGRESA-N 0 3 187.714 3.005 20 0 AGADHN C/C(Cl)=C/CN1CCC2(CCC2)C1 528402047 352177661 /nfs/dbraw/zinc/17/76/61/352177661.db2.gz FABXAXPOEIHBOU-KMKOMSMNSA-N 0 3 199.725 3.005 20 0 AGADHN C/C(Cl)=C\CN1CCC2(CCC2)C1 528402048 352177675 /nfs/dbraw/zinc/17/76/75/352177675.db2.gz FABXAXPOEIHBOU-XCVCLJGOSA-N 0 3 199.725 3.005 20 0 AGADHN CCN(C/C=C(/C)Cl)C1CCC1 528387499 352177793 /nfs/dbraw/zinc/17/77/93/352177793.db2.gz MHRARYPBQNXRQC-CLFYSBASSA-N 0 3 187.714 3.003 20 0 AGADHN CCN(C/C=C(\C)Cl)C1CCC1 528387505 352178085 /nfs/dbraw/zinc/17/80/85/352178085.db2.gz MHRARYPBQNXRQC-VQHVLOKHSA-N 0 3 187.714 3.003 20 0 AGADHN CC1=C[C@H](C)CN(C/C=C(\C)Cl)C1 528485808 352178404 /nfs/dbraw/zinc/17/84/04/352178404.db2.gz HWLYTERXLNMSPS-AXNBSVLLSA-N 0 3 199.725 3.027 20 0 AGADHN C/C(Cl)=C/CN1CCCC2(CC2)C1 528456452 352178522 /nfs/dbraw/zinc/17/85/22/352178522.db2.gz MLZSPDVBLPJRKH-KMKOMSMNSA-N 0 3 199.725 3.005 20 0 AGADHN CC1=C[C@@H](C)CN(C/C=C(\C)Cl)C1 528485811 352178560 /nfs/dbraw/zinc/17/85/60/352178560.db2.gz HWLYTERXLNMSPS-VMDVGJCFSA-N 0 3 199.725 3.027 20 0 AGADHN CC1=C[C@@H](C)CN(C/C=C(/C)Cl)C1 528485809 352178774 /nfs/dbraw/zinc/17/87/74/352178774.db2.gz HWLYTERXLNMSPS-BUBXLPKJSA-N 0 3 199.725 3.027 20 0 AGADHN C/C(Cl)=C\CN(C(C)C)C(C)C 528428175 352178866 /nfs/dbraw/zinc/17/88/66/352178866.db2.gz AINHIBQHWPQRKQ-UXBLZVDNSA-N 0 3 189.730 3.248 20 0 AGADHN C/C(Cl)=C\CN1CCCC2(CC2)C1 528456454 352178919 /nfs/dbraw/zinc/17/89/19/352178919.db2.gz MLZSPDVBLPJRKH-XCVCLJGOSA-N 0 3 199.725 3.005 20 0 AGADHN CC1=C[C@H](C)CN(C/C=C(/C)Cl)C1 528485810 352179009 /nfs/dbraw/zinc/17/90/09/352179009.db2.gz HWLYTERXLNMSPS-SYUPGTOSSA-N 0 3 199.725 3.027 20 0 AGADHN C/C(Cl)=C/CN(C(C)C)C(C)C 528428174 352179018 /nfs/dbraw/zinc/17/90/18/352179018.db2.gz AINHIBQHWPQRKQ-POHAHGRESA-N 0 3 189.730 3.248 20 0 AGADHN CC1=C(C)CN(C/C=C(/C)Cl)CC1 528493054 352179259 /nfs/dbraw/zinc/17/92/59/352179259.db2.gz YWYZKRXISDIJGA-WZUFQYTHSA-N 0 3 199.725 3.171 20 0 AGADHN CC1=C(C)CN(C/C=C(\C)Cl)CC1 528493053 352179669 /nfs/dbraw/zinc/17/96/69/352179669.db2.gz YWYZKRXISDIJGA-VZUCSPMQSA-N 0 3 199.725 3.171 20 0 AGADHN CCCCCN(C)Cc1occc1C 644780871 371905846 /nfs/dbraw/zinc/90/58/46/371905846.db2.gz MHRBYZZYBQQGIR-UHFFFAOYSA-N 0 3 195.306 3.210 20 0 AGADHN C1=C(CN2Cc3ccccc3C2)CCC1 645800240 371965505 /nfs/dbraw/zinc/96/55/05/371965505.db2.gz XGPZKOWUUWKDFZ-UHFFFAOYSA-N 0 3 199.297 3.113 20 0 AGADHN C[C@@H](NCC1=CCCC1)c1ccoc1 645855995 371969077 /nfs/dbraw/zinc/96/90/77/371969077.db2.gz DNECUNRNGLRKQQ-SNVBAGLBSA-N 0 3 191.274 3.041 20 0 AGADHN C[C@H](NCC1=CCCC1)c1ccoc1 645855994 371969259 /nfs/dbraw/zinc/96/92/59/371969259.db2.gz DNECUNRNGLRKQQ-JTQLQIEISA-N 0 3 191.274 3.041 20 0 AGADHN C[C@@H](N[C@H]1CC=CCC1)c1ccco1 84066641 375386074 /nfs/dbraw/zinc/38/60/74/375386074.db2.gz MVNXCKDCVUWPIF-MNOVXSKESA-N 0 3 191.274 3.039 20 0 AGADHN C[C@@H](N[C@@H]1CC=CCC1)c1ccco1 84066644 375386218 /nfs/dbraw/zinc/38/62/18/375386218.db2.gz MVNXCKDCVUWPIF-GHMZBOCLSA-N 0 3 191.274 3.039 20 0 AGADHN C[C@H](NCC1=CCCC1)c1ccco1 401013571 375510509 /nfs/dbraw/zinc/51/05/09/375510509.db2.gz CJFWHUFSGWVXIT-JTQLQIEISA-N 0 3 191.274 3.041 20 0 AGADHN C[C@@H](NCC1=CCCC1)c1ccco1 401013574 375510929 /nfs/dbraw/zinc/51/09/29/375510929.db2.gz CJFWHUFSGWVXIT-SNVBAGLBSA-N 0 3 191.274 3.041 20 0 AGADHN CCN(Cc1ccsc1C)C1CC1 646053233 375572298 /nfs/dbraw/zinc/57/22/98/375572298.db2.gz RFVUCWJRVXQOLZ-UHFFFAOYSA-N 0 3 195.331 3.041 20 0 AGADHN CCCCN(C)Cc1ccsc1C 646046843 375572609 /nfs/dbraw/zinc/57/26/09/375572609.db2.gz NSNZQCWSRIKPEQ-UHFFFAOYSA-N 0 3 197.347 3.288 20 0 AGADHN Cc1sccc1CN1CCCCC1 646105249 375576900 /nfs/dbraw/zinc/57/69/00/375576900.db2.gz OULBKJJVZBBCCQ-UHFFFAOYSA-N 0 3 195.331 3.042 20 0 AGADHN CCc1ccc(CN(C)C(C)(C)C)o1 648070287 375688521 /nfs/dbraw/zinc/68/85/21/375688521.db2.gz NRISSWOXIALBPG-UHFFFAOYSA-N 0 3 195.306 3.072 20 0 AGADHN CCCCN(C)Cc1csc(C)c1 648347617 375709361 /nfs/dbraw/zinc/70/93/61/375709361.db2.gz DBEPMFSQQVVYNC-UHFFFAOYSA-N 0 3 197.347 3.288 20 0 AGADHN CCN(Cc1csc(C)c1)C1CC1 648357805 375710796 /nfs/dbraw/zinc/71/07/96/375710796.db2.gz LHVXFYBALAIHKK-UHFFFAOYSA-N 0 3 195.331 3.041 20 0 AGADHN Cc1cc(CN(C)C2CCC2)cs1 648374277 375711116 /nfs/dbraw/zinc/71/11/16/375711116.db2.gz AKDACTHTUFQDAQ-UHFFFAOYSA-N 0 3 195.331 3.041 20 0 AGADHN F[C@H]1CCN(CCC2CCCCC2)C1 648721162 375737224 /nfs/dbraw/zinc/73/72/24/375737224.db2.gz XIUBIWKDZQCAKK-LBPRGKRZSA-N 0 3 199.313 3.001 20 0 AGADHN F[C@@H]1CCN(CCC2CCCCC2)C1 648721637 375737330 /nfs/dbraw/zinc/73/73/30/375737330.db2.gz XIUBIWKDZQCAKK-GFCCVEGCSA-N 0 3 199.313 3.001 20 0 AGADHN F[C@H]1CCN(CC2CCCCCC2)C1 648720676 375737767 /nfs/dbraw/zinc/73/77/67/375737767.db2.gz RXBRGOGKFKODPQ-LBPRGKRZSA-N 0 3 199.313 3.001 20 0 AGADHN F[C@@H]1CCN(CC2CCCCCC2)C1 648721385 375738251 /nfs/dbraw/zinc/73/82/51/375738251.db2.gz RXBRGOGKFKODPQ-GFCCVEGCSA-N 0 3 199.313 3.001 20 0 AGADHN CCC1(N[C@@H](C)c2ccc(C)o2)CC1 651395799 409325678 /nfs/dbraw/zinc/32/56/78/409325678.db2.gz RCEGSLKIESIMAK-JTQLQIEISA-N 0 3 193.290 3.181 20 0 AGADHN CCC1(N[C@H](C)c2ccc(C)o2)CC1 651395800 409325838 /nfs/dbraw/zinc/32/58/38/409325838.db2.gz RCEGSLKIESIMAK-SNVBAGLBSA-N 0 3 193.290 3.181 20 0 AGADHN Cc1ccc(CNCCCC(C)C)o1 37985055 409339240 /nfs/dbraw/zinc/33/92/40/409339240.db2.gz TYAQKOWKXADIMC-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN F[C@@H]1CCCN(CC2CCCCC2)C1 652076900 409350728 /nfs/dbraw/zinc/35/07/28/409350728.db2.gz DDQSTWOZXPKYKA-GFCCVEGCSA-N 0 3 199.313 3.001 20 0 AGADHN F[C@H]1CCCN(CC2CCCCC2)C1 652076901 409351044 /nfs/dbraw/zinc/35/10/44/409351044.db2.gz DDQSTWOZXPKYKA-LBPRGKRZSA-N 0 3 199.313 3.001 20 0 AGADHN Cc1ccc(CNCCC(C)(C)C)o1 47888196 409366210 /nfs/dbraw/zinc/36/62/10/409366210.db2.gz MYKMVQFEXPYDQN-UHFFFAOYSA-N 0 3 195.306 3.114 20 0 AGADHN CC1(C)C[C@@]1(C)NCc1ccsc1 657760519 409491196 /nfs/dbraw/zinc/49/11/96/409491196.db2.gz JYEZBAZJPJAMTQ-LLVKDONJSA-N 0 3 195.331 3.026 20 0 AGADHN CC1(C)C[C@]1(C)NCc1ccsc1 657760520 409491636 /nfs/dbraw/zinc/49/16/36/409491636.db2.gz JYEZBAZJPJAMTQ-NSHDSACASA-N 0 3 195.331 3.026 20 0 AGADHN C[C@H](NCCC(C)(C)F)c1ccoc1 658193439 409511702 /nfs/dbraw/zinc/51/17/02/409511702.db2.gz UVJXAFYLIAGGNX-VIFPVBQESA-N 0 3 199.269 3.068 20 0 AGADHN C[C@@H](NCCC(C)(C)F)c1ccco1 658193684 409511978 /nfs/dbraw/zinc/51/19/78/409511978.db2.gz XJYGGHYONQGBPG-SECBINFHSA-N 0 3 199.269 3.068 20 0 AGADHN C[C@H](NCCC(C)(C)F)c1ccco1 658193686 409512064 /nfs/dbraw/zinc/51/20/64/409512064.db2.gz XJYGGHYONQGBPG-VIFPVBQESA-N 0 3 199.269 3.068 20 0 AGADHN C[C@@H](NCCC(C)(C)F)c1ccoc1 658193438 409512195 /nfs/dbraw/zinc/51/21/95/409512195.db2.gz UVJXAFYLIAGGNX-SECBINFHSA-N 0 3 199.269 3.068 20 0 AGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccoc1 658308397 409513424 /nfs/dbraw/zinc/51/34/24/409513424.db2.gz POTKDASUIFPWIN-BXKDBHETSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccoc1 658308398 409513653 /nfs/dbraw/zinc/51/36/53/409513653.db2.gz POTKDASUIFPWIN-CABZTGNLSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccoc1 658308399 409514615 /nfs/dbraw/zinc/51/46/15/409514615.db2.gz POTKDASUIFPWIN-JOYOIKCWSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccoc1 658308400 409514858 /nfs/dbraw/zinc/51/48/58/409514858.db2.gz POTKDASUIFPWIN-SKDRFNHKSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccco1 658309268 409515538 /nfs/dbraw/zinc/51/55/38/409515538.db2.gz UBPQEBLEMFULAW-JOYOIKCWSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccco1 658309269 409515757 /nfs/dbraw/zinc/51/57/57/409515757.db2.gz UBPQEBLEMFULAW-SKDRFNHKSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccco1 658309267 409515777 /nfs/dbraw/zinc/51/57/77/409515777.db2.gz UBPQEBLEMFULAW-CABZTGNLSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccco1 658309266 409516029 /nfs/dbraw/zinc/51/60/29/409516029.db2.gz UBPQEBLEMFULAW-BXKDBHETSA-N 0 3 193.290 3.119 20 0 AGADHN CCCN(C)Cc1ccccc1Cl 219940716 409517188 /nfs/dbraw/zinc/51/71/88/409517188.db2.gz APPPBQVLUYNPBB-UHFFFAOYSA-N 0 3 197.709 3.182 20 0 AGADHN CC(C)=CCCN(C)Cc1ccoc1 659854562 409556323 /nfs/dbraw/zinc/55/63/23/409556323.db2.gz ZYDGMVPPZHVCDN-UHFFFAOYSA-N 0 3 193.290 3.068 20 0 AGADHN CC(C)=CCNCc1ccsc1C 308134700 409682533 /nfs/dbraw/zinc/68/25/33/409682533.db2.gz NDPKTSBPJFEQEQ-UHFFFAOYSA-N 0 3 195.331 3.112 20 0 AGADHN CC[C@@H](N[C@@H](C)CF)c1ccccc1 308719804 409749891 /nfs/dbraw/zinc/74/98/91/409749891.db2.gz COUQKCFLUNLUSH-CMPLNLGQSA-N 0 3 195.281 3.085 20 0 AGADHN CC[C@H](N[C@@H](C)CF)c1ccccc1 308719805 409751322 /nfs/dbraw/zinc/75/13/22/409751322.db2.gz COUQKCFLUNLUSH-JQWIXIFHSA-N 0 3 195.281 3.085 20 0 AGADHN CC(C)C1(N[C@@H](C)c2ccoc2)CC1 378859155 409806625 /nfs/dbraw/zinc/80/66/25/409806625.db2.gz NIXTVPSIRXAQJG-JTQLQIEISA-N 0 3 193.290 3.119 20 0 AGADHN CC(C)C1(N[C@H](C)c2ccoc2)CC1 378859156 409806719 /nfs/dbraw/zinc/80/67/19/409806719.db2.gz NIXTVPSIRXAQJG-SNVBAGLBSA-N 0 3 193.290 3.119 20 0 AGADHN CCCNC(C)(C)c1ccccc1F 379584932 409852018 /nfs/dbraw/zinc/85/20/18/409852018.db2.gz OXDUTPVUCMJDMI-UHFFFAOYSA-N 0 3 195.281 3.060 20 0 AGADHN CC(C)C1(N[C@@H](C)c2ccco2)CC1 382161036 409893131 /nfs/dbraw/zinc/89/31/31/409893131.db2.gz SRLVOOINXCJOOM-JTQLQIEISA-N 0 3 193.290 3.119 20 0 AGADHN CC(C)C1(N[C@H](C)c2ccco2)CC1 382161041 409894193 /nfs/dbraw/zinc/89/41/93/409894193.db2.gz SRLVOOINXCJOOM-SNVBAGLBSA-N 0 3 193.290 3.119 20 0 AGADHN C[C@H](CC(C)(C)C)NCc1ccco1 384941077 409920548 /nfs/dbraw/zinc/92/05/48/409920548.db2.gz QUEBZGFAGNVQLX-SNVBAGLBSA-N 0 3 195.306 3.194 20 0 AGADHN CC/C=C/CNCc1cccc(C)c1 384844826 409915267 /nfs/dbraw/zinc/91/52/67/409915267.db2.gz AJGYPWFXHJQDLA-SNAWJCMRSA-N 0 3 189.302 3.051 20 0 AGADHN CC/C=C\CN[C@H](C)c1ccccc1 384867141 409915645 /nfs/dbraw/zinc/91/56/45/409915645.db2.gz FLCCDPABKBTPAO-HXUAIIEXSA-N 0 3 189.302 3.303 20 0 AGADHN CC/C=C/CNCc1ccccc1C 384893004 409916309 /nfs/dbraw/zinc/91/63/09/409916309.db2.gz LIJNIZBSUKVXRS-QPJJXVBHSA-N 0 3 189.302 3.051 20 0 AGADHN CC/C=C/CNCc1ccsc1C 384847166 409916867 /nfs/dbraw/zinc/91/68/67/409916867.db2.gz ATHIYTYYCJRWOT-SNAWJCMRSA-N 0 3 195.331 3.112 20 0 AGADHN CC/C=C\CNCc1ccsc1C 384847160 409916978 /nfs/dbraw/zinc/91/69/78/409916978.db2.gz ATHIYTYYCJRWOT-PLNGDYQASA-N 0 3 195.331 3.112 20 0 AGADHN CC/C=C\CN[C@@H](C)c1ccccc1 384867143 409917149 /nfs/dbraw/zinc/91/71/49/409917149.db2.gz FLCCDPABKBTPAO-LDJOOVGUSA-N 0 3 189.302 3.303 20 0 AGADHN CC/C=C\CNCc1ccccc1C 384893002 409917188 /nfs/dbraw/zinc/91/71/88/409917188.db2.gz LIJNIZBSUKVXRS-DAXSKMNVSA-N 0 3 189.302 3.051 20 0 AGADHN CC/C=C\CNCc1cccc(C)c1 384844807 409917233 /nfs/dbraw/zinc/91/72/33/409917233.db2.gz AJGYPWFXHJQDLA-PLNGDYQASA-N 0 3 189.302 3.051 20 0 AGADHN CC/C=C/CN[C@@H](C)c1ccccc1 384867140 409917427 /nfs/dbraw/zinc/91/74/27/409917427.db2.gz FLCCDPABKBTPAO-GXWOQWCDSA-N 0 3 189.302 3.303 20 0 AGADHN CC/C=C/CN[C@H](C)c1ccccc1 384867144 409917414 /nfs/dbraw/zinc/91/74/14/409917414.db2.gz FLCCDPABKBTPAO-WNPFHQFXSA-N 0 3 189.302 3.303 20 0 AGADHN CC/C=C/CNCc1ccc(C)s1 384914180 409918331 /nfs/dbraw/zinc/91/83/31/409918331.db2.gz QDMVUZZCFYRHPX-SNAWJCMRSA-N 0 3 195.331 3.112 20 0 AGADHN CC/C=C\CNCc1ccc(C)s1 384914176 409918344 /nfs/dbraw/zinc/91/83/44/409918344.db2.gz QDMVUZZCFYRHPX-PLNGDYQASA-N 0 3 195.331 3.112 20 0 AGADHN C[C@@H](CC(C)(C)C)NCc1ccco1 384941064 409919832 /nfs/dbraw/zinc/91/98/32/409919832.db2.gz QUEBZGFAGNVQLX-JTQLQIEISA-N 0 3 195.306 3.194 20 0 AGADHN CC/C=C\CNCc1sccc1C 384952505 409921536 /nfs/dbraw/zinc/92/15/36/409921536.db2.gz VNFLZJLKLSIVAS-PLNGDYQASA-N 0 3 195.331 3.112 20 0 AGADHN CC/C=C/CNCc1sccc1C 384952510 409922548 /nfs/dbraw/zinc/92/25/48/409922548.db2.gz VNFLZJLKLSIVAS-SNAWJCMRSA-N 0 3 195.331 3.112 20 0 AGADHN CC/C=C/CNCc1ccc(C)cc1 395047052 410003252 /nfs/dbraw/zinc/00/32/52/410003252.db2.gz VIYWYHLHUNTURQ-SNAWJCMRSA-N 0 3 189.302 3.051 20 0 AGADHN CC/C=C\CNCc1ccc(C)cc1 395047050 410003281 /nfs/dbraw/zinc/00/32/81/410003281.db2.gz VIYWYHLHUNTURQ-PLNGDYQASA-N 0 3 189.302 3.051 20 0 AGADHN F[C@H]1CCN(CCCC2CCCC2)C1 649938932 410247808 /nfs/dbraw/zinc/24/78/08/410247808.db2.gz UGTBBPYWQPZURC-LBPRGKRZSA-N 0 3 199.313 3.001 20 0 AGADHN F[C@@H]1CCN(CCCC2CCCC2)C1 649943807 410250349 /nfs/dbraw/zinc/25/03/49/410250349.db2.gz UGTBBPYWQPZURC-GFCCVEGCSA-N 0 3 199.313 3.001 20 0 AGADHN Cl/C=C\CN(C1CCC1)C1CCC1 308420052 573682260 /nfs/dbraw/zinc/68/22/60/573682260.db2.gz SHBWHWHEQYMCGU-BAQGIRSFSA-N 0 3 199.725 3.146 20 0 AGADHN C[C@@H](NC/C=C\Cl)c1ccccc1 308109309 629839454 /nfs/dbraw/zinc/83/94/54/629839454.db2.gz ZMKYSBTXSZIKIY-DAGBOUIGSA-N 0 3 195.693 3.090 20 0 AGADHN C[C@H](NC/C=C/Cl)c1ccccc1 223574940 631027155 /nfs/dbraw/zinc/02/71/55/631027155.db2.gz ZMKYSBTXSZIKIY-YVFTVSHDSA-N 0 3 195.693 3.090 20 0 AGADHN C[C@@H](NC/C=C/Cl)c1ccccc1 223574880 631027499 /nfs/dbraw/zinc/02/74/99/631027499.db2.gz ZMKYSBTXSZIKIY-VHODGJRUSA-N 0 3 195.693 3.090 20 0 AGADHN