smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CN(CC)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000301492722 970955890 /nfs/dbraw/zinc/95/58/90/970955890.db2.gz OJVMFLBMSFBRFU-OAHLLOKOSA-N 0 1 415.987 3.596 20 30 HHEDMN N#Cc1ccc(CN2CCCN(C(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000303184715 971547812 /nfs/dbraw/zinc/54/78/12/971547812.db2.gz YXTMNULJCCHTPF-UHFFFAOYSA-N 0 1 412.331 3.598 20 30 HHEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000303517394 971818477 /nfs/dbraw/zinc/81/84/77/971818477.db2.gz DMJOAVACDXCOJG-DEOSSOPVSA-N 0 1 405.542 3.922 20 30 HHEDMN CN(C)[C@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303673996 971952089 /nfs/dbraw/zinc/95/20/89/971952089.db2.gz KKRMJINFAOVRKA-CYBMUJFWSA-N 0 1 415.353 3.955 20 30 HHEDMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000303673683 971952196 /nfs/dbraw/zinc/95/21/96/971952196.db2.gz PVDGUGWLKFFYBW-OAHLLOKOSA-N 0 1 403.935 3.716 20 30 HHEDMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000303673679 971952257 /nfs/dbraw/zinc/95/22/57/971952257.db2.gz PVDGUGWLKFFYBW-HNNXBMFYSA-N 0 1 403.935 3.716 20 30 HHEDMN CCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303882029 972422195 /nfs/dbraw/zinc/42/21/95/972422195.db2.gz RESRDSDRHUYRAL-UXHICEINSA-N 0 1 409.534 3.598 20 30 HHEDMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3SCC#N)n2)cc1 ZINC000006141866 960858615 /nfs/dbraw/zinc/85/86/15/960858615.db2.gz YMQYIDALEUOTPZ-UHFFFAOYSA-N 0 1 411.512 3.827 20 30 HHEDMN COc1ccccc1[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)N(C)C ZINC000553250589 1013216054 /nfs/dbraw/zinc/21/60/54/1013216054.db2.gz DYJVGPKPQJCHAK-MRXNPFEDSA-N 0 1 400.404 3.669 20 30 HHEDMN Cc1csc([C@@H](C#N)C(=O)COC(=O)CCc2ncc(-c3ccc(C)cc3)o2)n1 ZINC000021585288 963497620 /nfs/dbraw/zinc/49/76/20/963497620.db2.gz UZDFRACNIOHOTE-INIZCTEOSA-N 0 1 409.467 3.767 20 30 HHEDMN Cc1csc(C(C#N)C(=O)COC(=O)CCc2ncc(-c3ccc(C)cc3)o2)n1 ZINC000021585288 963497626 /nfs/dbraw/zinc/49/76/26/963497626.db2.gz UZDFRACNIOHOTE-INIZCTEOSA-N 0 1 409.467 3.767 20 30 HHEDMN C=CCN(C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000537857572 1013427941 /nfs/dbraw/zinc/42/79/41/1013427941.db2.gz NYGJXJQITMMXDB-UHFFFAOYSA-N 0 1 404.558 3.869 20 30 HHEDMN COc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000024103115 963942731 /nfs/dbraw/zinc/94/27/31/963942731.db2.gz KTIJUOFODLAYDN-UHFFFAOYSA-N 0 1 401.669 3.784 20 30 HHEDMN CCc1cccc(CC)c1NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028960546 965226225 /nfs/dbraw/zinc/22/62/25/965226225.db2.gz UFYBPMBNLNDBKD-UHFFFAOYSA-N 0 1 404.558 3.829 20 30 HHEDMN CC(C)(C#N)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)cc1 ZINC000029665875 965453588 /nfs/dbraw/zinc/45/35/88/965453588.db2.gz DEOAVXLQAZXEBZ-UHFFFAOYSA-N 0 1 420.494 3.936 20 30 HHEDMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340363 965481941 /nfs/dbraw/zinc/48/19/41/965481941.db2.gz XPZVUBRTJKEUMB-SFHVURJKSA-N 0 1 407.514 3.761 20 30 HHEDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000029781432 965497468 /nfs/dbraw/zinc/49/74/68/965497468.db2.gz XNSWCIAFONGLAV-MRXNPFEDSA-N 0 1 412.921 3.760 20 30 HHEDMN C[C@H](NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454799 965524505 /nfs/dbraw/zinc/52/45/05/965524505.db2.gz ZXGSTPWXGHKZCL-SFHVURJKSA-N 0 1 410.949 3.597 20 30 HHEDMN CCOc1ccc(OCCCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983925 965582606 /nfs/dbraw/zinc/58/26/06/965582606.db2.gz VPIVOYHZZPRGOV-UHFFFAOYSA-N 0 1 421.541 3.850 20 30 HHEDMN COc1ccccc1[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)N1CCCCC1 ZINC000055752506 966048732 /nfs/dbraw/zinc/04/87/32/966048732.db2.gz HYSBDBDJZZSSIJ-GHTZIAJQSA-N 0 1 407.514 3.678 20 30 HHEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1 ZINC000032098280 966195155 /nfs/dbraw/zinc/19/51/55/966195155.db2.gz KMCNOOUYIWXCCY-UHFFFAOYSA-N 0 1 401.831 3.858 20 30 HHEDMN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000041509557 966583340 /nfs/dbraw/zinc/58/33/40/966583340.db2.gz SQOGRWCEZQMUGD-MRXNPFEDSA-N 0 1 403.490 3.698 20 30 HHEDMN N#CC(C(=O)c1ccccc1OCC(N)=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514355 966583546 /nfs/dbraw/zinc/58/35/46/966583546.db2.gz SPOVJWTYDVSEIP-HNNXBMFYSA-N 0 1 411.870 3.818 20 30 HHEDMN N#C[C@@H](C(=O)c1ccccc1OCC(N)=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514355 966583549 /nfs/dbraw/zinc/58/35/49/966583549.db2.gz SPOVJWTYDVSEIP-HNNXBMFYSA-N 0 1 411.870 3.818 20 30 HHEDMN Cc1csc([C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)n1 ZINC000041520791 966586625 /nfs/dbraw/zinc/58/66/25/966586625.db2.gz YMKIZEVSZLKNOO-YOEHRIQHSA-N 0 1 403.529 3.505 20 30 HHEDMN Cc1csc(C(C#N)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)n1 ZINC000041520791 966586631 /nfs/dbraw/zinc/58/66/31/966586631.db2.gz YMKIZEVSZLKNOO-YOEHRIQHSA-N 0 1 403.529 3.505 20 30 HHEDMN N#CC(C(=O)c1ccccc1OCC(N)=O)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548582 966592046 /nfs/dbraw/zinc/59/20/46/966592046.db2.gz CYKPVTKBUINUCH-LBPRGKRZSA-N 0 1 419.384 3.669 20 30 HHEDMN N#C[C@@H](C(=O)c1ccccc1OCC(N)=O)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548582 966592053 /nfs/dbraw/zinc/59/20/53/966592053.db2.gz CYKPVTKBUINUCH-LBPRGKRZSA-N 0 1 419.384 3.669 20 30 HHEDMN CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000063497214 966875833 /nfs/dbraw/zinc/87/58/33/966875833.db2.gz KMMLJLIENLRLEF-UHFFFAOYSA-N 0 1 400.236 3.829 20 30 HHEDMN COc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000043139383 966914992 /nfs/dbraw/zinc/91/49/92/966914992.db2.gz XETXABKEUGMDGR-HSZRJFAPSA-N 0 1 406.530 3.935 20 30 HHEDMN COc1cc(C)c(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000043404641 966966008 /nfs/dbraw/zinc/96/60/08/966966008.db2.gz DNHGAJAFFIVQNX-UHFFFAOYSA-N 0 1 408.502 3.624 20 30 HHEDMN Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N2CCCC2)o1 ZINC000542838497 1013700620 /nfs/dbraw/zinc/70/06/20/1013700620.db2.gz CEVFVHDJDKACCE-IBGZPJMESA-N 0 1 422.464 3.743 20 30 HHEDMN N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000064346666 967148546 /nfs/dbraw/zinc/14/85/46/967148546.db2.gz INBSKGZJNNRUNE-UHFFFAOYSA-N 0 1 403.526 3.800 20 30 HHEDMN FC(F)(F)Oc1ccc(C#CCN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000538144029 1013704638 /nfs/dbraw/zinc/70/46/38/1013704638.db2.gz OMTMVUPDQCHEQF-OAQYLSRUSA-N 0 1 404.432 3.600 20 30 HHEDMN COC(=O)CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000064558993 967234327 /nfs/dbraw/zinc/23/43/27/967234327.db2.gz RTIDKVNPIUYKAZ-UHFFFAOYSA-N 0 1 402.539 3.551 20 30 HHEDMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000538161031 1013722782 /nfs/dbraw/zinc/72/27/82/1013722782.db2.gz HRQSELWTYKUPOM-KRWDZBQOSA-N 0 1 403.486 3.820 20 30 HHEDMN CC(C)Oc1ccc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045641353 967524178 /nfs/dbraw/zinc/52/41/78/967524178.db2.gz SLXDMWHBSCEHNT-UHFFFAOYSA-N 0 1 406.530 3.763 20 30 HHEDMN N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1 ZINC000045942084 967603182 /nfs/dbraw/zinc/60/31/82/967603182.db2.gz IBENTXABOAKLIS-UHFFFAOYSA-N 0 1 404.514 3.944 20 30 HHEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000047281182 968119869 /nfs/dbraw/zinc/11/98/69/968119869.db2.gz YZWUNTGFUYYWBV-UHFFFAOYSA-N 0 1 412.342 3.618 20 30 HHEDMN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941724 1013774637 /nfs/dbraw/zinc/77/46/37/1013774637.db2.gz DNJUFXWZLDIPGF-VGOFRKELSA-N 0 1 407.514 3.580 20 30 HHEDMN C=CCNC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000048161156 968463393 /nfs/dbraw/zinc/46/33/93/968463393.db2.gz YAZWAFUECWXIJL-UHFFFAOYSA-N 0 1 410.493 3.528 20 30 HHEDMN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000538304551 1013838178 /nfs/dbraw/zinc/83/81/78/1013838178.db2.gz IGMKGDXIFBTWSJ-ZEQRLZLVSA-N 0 1 418.541 3.730 20 30 HHEDMN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](CN4CCOCC4)C3)c2)cc1 ZINC000078994411 969027102 /nfs/dbraw/zinc/02/71/02/969027102.db2.gz XJQJILYTZKGTNK-FQEVSTJZSA-N 0 1 405.498 3.535 20 30 HHEDMN C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000097061470 969086492 /nfs/dbraw/zinc/08/64/92/969086492.db2.gz WOFDOHFJPMKRBX-UTKZUKDTSA-N 0 1 420.582 3.703 20 30 HHEDMN COc1cc(C#N)ccc1OC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000110124252 969626623 /nfs/dbraw/zinc/62/66/23/969626623.db2.gz OHAZITIXBDLNMZ-FQEVSTJZSA-N 0 1 404.388 3.927 20 30 HHEDMN C=C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)CC1 ZINC000111073243 969772625 /nfs/dbraw/zinc/77/26/25/969772625.db2.gz BRDYSKDSGSXCAC-UHFFFAOYSA-N 0 1 420.918 3.942 20 30 HHEDMN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2sc(CC(C)C)nc2C)C1=O ZINC000111192065 969797822 /nfs/dbraw/zinc/79/78/22/969797822.db2.gz SUKBAMBQDALCDT-FQEVSTJZSA-N 0 1 408.568 3.966 20 30 HHEDMN N#Cc1ccc2ncc(CNc3ccc(NC(=O)CN4CCCCCC4)cc3)n2c1 ZINC000238101613 970440235 /nfs/dbraw/zinc/44/02/35/970440235.db2.gz OSFKDJSEWBBKFZ-UHFFFAOYSA-N 0 1 402.502 3.633 20 30 HHEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000324461303 972722396 /nfs/dbraw/zinc/72/23/96/972722396.db2.gz YJFGEHMRSGEREV-UHFFFAOYSA-N 0 1 406.183 3.535 20 30 HHEDMN Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1C#N ZINC000326630485 972745656 /nfs/dbraw/zinc/74/56/56/972745656.db2.gz UPNJDBPMHSWNFG-UHFFFAOYSA-N 0 1 420.210 3.844 20 30 HHEDMN N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000409672273 973133444 /nfs/dbraw/zinc/13/34/44/973133444.db2.gz YZRBEWNBBRGSEQ-UHFFFAOYSA-N 0 1 421.530 3.716 20 30 HHEDMN N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000409672273 973133447 /nfs/dbraw/zinc/13/34/47/973133447.db2.gz YZRBEWNBBRGSEQ-UHFFFAOYSA-N 0 1 421.530 3.716 20 30 HHEDMN CCC[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CCN1Cc1ccccc1 ZINC000409897753 973360338 /nfs/dbraw/zinc/36/03/38/973360338.db2.gz CHRFEPLAXYDDRA-HSZRJFAPSA-N 0 1 413.525 3.871 20 30 HHEDMN C=CC[C@@H](CC)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000410138658 973626249 /nfs/dbraw/zinc/62/62/49/973626249.db2.gz SQMFLBMPAJRGBM-QGZVFWFLSA-N 0 1 402.516 3.889 20 30 HHEDMN C=CC[C@H](CC)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000410138657 973626479 /nfs/dbraw/zinc/62/64/79/973626479.db2.gz SQMFLBMPAJRGBM-KRWDZBQOSA-N 0 1 402.516 3.889 20 30 HHEDMN N#CC1(CCCN2CCN(Cc3ccc(Br)s3)CC2)CCOCC1 ZINC000410313292 973857428 /nfs/dbraw/zinc/85/74/28/973857428.db2.gz LXALEIVZWADQHJ-UHFFFAOYSA-N 0 1 412.397 3.729 20 30 HHEDMN COc1cncc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 ZINC000410371168 973966422 /nfs/dbraw/zinc/96/64/22/973966422.db2.gz JNEZSQBSYSJYRO-UHFFFAOYSA-N 0 1 409.467 3.650 20 30 HHEDMN C=C(C)COc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000426111175 974234104 /nfs/dbraw/zinc/23/41/04/974234104.db2.gz HUTAKLDZBNRQDY-NZQKXSOJSA-N 0 1 409.530 3.646 20 30 HHEDMN FC(F)(F)COCCCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426355474 974412063 /nfs/dbraw/zinc/41/20/63/974412063.db2.gz ALFJAQUHHGOQHU-UHFFFAOYSA-N 0 1 408.386 3.644 20 30 HHEDMN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1ccc(F)c(C)c1 ZINC000427112707 974913573 /nfs/dbraw/zinc/91/35/73/974913573.db2.gz DOZCRCVVYLKOIV-UHFFFAOYSA-N 0 1 402.539 3.915 20 30 HHEDMN Cc1ncc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1C#N ZINC000427141180 974935938 /nfs/dbraw/zinc/93/59/38/974935938.db2.gz ZHYQESOJJHLPAA-UHFFFAOYSA-N 0 1 416.478 3.720 20 30 HHEDMN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccccc2)CC1 ZINC000427240968 975000032 /nfs/dbraw/zinc/00/00/32/975000032.db2.gz GOYOQMRPJHGXRP-UHFFFAOYSA-N 0 1 400.530 3.795 20 30 HHEDMN CCN(CCNC(=O)c1cc(C2CC2)nc(SC)c1C#N)CCC(F)(F)F ZINC000427439240 975118153 /nfs/dbraw/zinc/11/81/53/975118153.db2.gz OOKSIHZRTBDKOJ-UHFFFAOYSA-N 0 1 400.470 3.557 20 30 HHEDMN C=CCCCS(=O)(=O)N(c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000427752749 975268758 /nfs/dbraw/zinc/26/87/58/975268758.db2.gz NXFDMRWMKAGIPC-UHFFFAOYSA-N 0 1 401.370 3.646 20 30 HHEDMN CN(C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000427787332 975288615 /nfs/dbraw/zinc/28/86/15/975288615.db2.gz VSQVSMFKJMWOED-INIZCTEOSA-N 0 1 423.460 3.649 20 30 HHEDMN C[C@H](N[C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000427826125 975310813 /nfs/dbraw/zinc/31/08/13/975310813.db2.gz ZSQALFRMIBCBDR-PZROIBLQSA-N 0 1 401.557 3.789 20 30 HHEDMN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1OCCc2sccc21 ZINC000427868026 975328822 /nfs/dbraw/zinc/32/88/22/975328822.db2.gz VSTLXNUMFYUUDX-QEEYODRMSA-N 0 1 401.507 3.814 20 30 HHEDMN C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000428041171 975401151 /nfs/dbraw/zinc/40/11/51/975401151.db2.gz ZOCGXVNKMZHRRP-QGZVFWFLSA-N 0 1 400.500 3.677 20 30 HHEDMN Cc1ccc(-c2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)[nH]n2)c(C)c1 ZINC000428047646 975405008 /nfs/dbraw/zinc/40/50/08/975405008.db2.gz JOZYSVQITKOQQD-UHFFFAOYSA-N 0 1 413.525 3.982 20 30 HHEDMN COc1cccc([C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)N(C)C)c1 ZINC000429738118 977029823 /nfs/dbraw/zinc/02/98/23/977029823.db2.gz VLXAMMLKGGYJJL-QFIPXVFZSA-N 0 1 417.513 3.505 20 30 HHEDMN COc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(F)(F)F ZINC000430167115 977362197 /nfs/dbraw/zinc/36/21/97/977362197.db2.gz GGNRASLNMLYWDB-INIZCTEOSA-N 0 1 407.392 3.556 20 30 HHEDMN COc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccncc1 ZINC000430175238 977369966 /nfs/dbraw/zinc/36/99/66/977369966.db2.gz BVCPQRFBDLEJLU-OAQYLSRUSA-N 0 1 416.481 3.589 20 30 HHEDMN N#CCC1(CNC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)CC1 ZINC000430180819 977373586 /nfs/dbraw/zinc/37/35/86/977373586.db2.gz RWZBMQLRMQNMMX-UHFFFAOYSA-N 0 1 417.557 3.502 20 30 HHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)s1 ZINC000430648480 977666899 /nfs/dbraw/zinc/66/68/99/977666899.db2.gz ZEXHNHCFNNLUIB-INIZCTEOSA-N 0 1 413.547 3.576 20 30 HHEDMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)c(Br)c1 ZINC000431196122 978087783 /nfs/dbraw/zinc/08/77/83/978087783.db2.gz KFBNNOBYJIFOCJ-UHFFFAOYSA-N 0 1 423.288 3.607 20 30 HHEDMN N#CCCC[C@H](NC(=O)NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000431812603 978532124 /nfs/dbraw/zinc/53/21/24/978532124.db2.gz ODGDZLDOLUWGOL-DEOSSOPVSA-N 0 1 419.573 3.539 20 30 HHEDMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2C)c1 ZINC000431832154 978543343 /nfs/dbraw/zinc/54/33/43/978543343.db2.gz FTWKYMFNKZMWJQ-UHFFFAOYSA-N 0 1 421.478 3.928 20 30 HHEDMN COC(=O)C1(N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC1 ZINC000432010214 978643551 /nfs/dbraw/zinc/64/35/51/978643551.db2.gz ARWWBPWKHNXFTQ-UHFFFAOYSA-N 0 1 403.548 3.635 20 30 HHEDMN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000432718463 978947173 /nfs/dbraw/zinc/94/71/73/978947173.db2.gz PECLMWHGKCJNAI-UHFFFAOYSA-N 0 1 408.849 3.744 20 30 HHEDMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000432766591 978966523 /nfs/dbraw/zinc/96/65/23/978966523.db2.gz HSPJCEANIPBCBM-UHFFFAOYSA-N 0 1 417.288 3.616 20 30 HHEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432770056 978968770 /nfs/dbraw/zinc/96/87/70/978968770.db2.gz QMPQLDDHCYAOBE-UHFFFAOYSA-N 0 1 419.304 3.815 20 30 HHEDMN COc1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432772151 978969847 /nfs/dbraw/zinc/96/98/47/978969847.db2.gz QOSCIKIRAZUHMJ-UHFFFAOYSA-N 0 1 401.669 3.784 20 30 HHEDMN COc1cc(C)c(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1Cl ZINC000432954822 979022573 /nfs/dbraw/zinc/02/25/73/979022573.db2.gz JTVDNMRSMKIFJI-UHFFFAOYSA-N 0 1 403.938 3.838 20 30 HHEDMN COC(=O)c1sc2[nH]c(CN[C@@H](CCCC#N)c3ccccc3)nc(=O)c2c1C ZINC000433011220 979040993 /nfs/dbraw/zinc/04/09/93/979040993.db2.gz NFAFXVJTEUEGCT-HNNXBMFYSA-N 0 1 410.499 3.604 20 30 HHEDMN COCCSc1ccc([C@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434872685 980460284 /nfs/dbraw/zinc/46/02/84/980460284.db2.gz DNRVNUUQJAWTCM-KBXCAEBGSA-N 0 1 401.557 3.814 20 30 HHEDMN COCCSc1ccc([C@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434872687 980460497 /nfs/dbraw/zinc/46/04/97/980460497.db2.gz DNRVNUUQJAWTCM-KSSFIOAISA-N 0 1 401.557 3.814 20 30 HHEDMN COc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)cc1Br ZINC000434878767 980463755 /nfs/dbraw/zinc/46/37/55/980463755.db2.gz FQSOILVRJWALNL-ABAIWWIYSA-N 0 1 420.332 3.847 20 30 HHEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)C3(c4cccc(C#N)c4)CC3)cc2)C[C@@H](C)O1 ZINC000435044356 980592133 /nfs/dbraw/zinc/59/21/33/980592133.db2.gz FXKFBQPESRDUDW-RTBURBONSA-N 0 1 403.526 3.515 20 30 HHEDMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000435057975 980602357 /nfs/dbraw/zinc/60/23/57/980602357.db2.gz RDFLQJOLFUHIHI-FQEVSTJZSA-N 0 1 423.517 3.819 20 30 HHEDMN C[C@H]1CN(Cc2ccc(CNC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000436103068 981201613 /nfs/dbraw/zinc/20/16/13/981201613.db2.gz MRLABBORTIXESD-OALUTQOASA-N 0 1 403.526 3.515 20 30 HHEDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000436308485 981290641 /nfs/dbraw/zinc/29/06/41/981290641.db2.gz UGOJDIBPKPLIPR-GOSISDBHSA-N 0 1 420.532 3.748 20 30 HHEDMN N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000436478607 981393702 /nfs/dbraw/zinc/39/37/02/981393702.db2.gz RCSRFIZMDOHXGI-UHFFFAOYSA-N 0 1 403.261 3.512 20 30 HHEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)n(Cc3ccncc3)c2C)n1 ZINC000460369666 982146456 /nfs/dbraw/zinc/14/64/56/982146456.db2.gz MRPKOOPKFSPGFN-QGZVFWFLSA-N 0 1 408.483 3.672 20 30 HHEDMN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC000460371154 982147845 /nfs/dbraw/zinc/14/78/45/982147845.db2.gz AACMVNVAOXZHKK-UHFFFAOYSA-N 0 1 419.577 3.529 20 30 HHEDMN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000460548534 982335052 /nfs/dbraw/zinc/33/50/52/982335052.db2.gz CVPVSIGYPSMIPN-OAQYLSRUSA-N 0 1 409.578 3.632 20 30 HHEDMN C=CC1CCN(C(=O)C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC000438110036 982593472 /nfs/dbraw/zinc/59/34/72/982593472.db2.gz NFNDBZFIZJUHCJ-UHFFFAOYSA-N 0 1 401.470 3.502 20 30 HHEDMN C=CC1CCN(C(=O)C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC000438110036 982593478 /nfs/dbraw/zinc/59/34/78/982593478.db2.gz NFNDBZFIZJUHCJ-UHFFFAOYSA-N 0 1 401.470 3.502 20 30 HHEDMN C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C1CCCC1 ZINC000460940625 982678362 /nfs/dbraw/zinc/67/83/62/982678362.db2.gz YSCIMQQAYHWQCW-UHFFFAOYSA-N 0 1 408.594 3.598 20 30 HHEDMN C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC)CC1 ZINC000460953137 982686828 /nfs/dbraw/zinc/68/68/28/982686828.db2.gz RIDVTILHDSGLNB-UHFFFAOYSA-N 0 1 408.319 3.565 20 30 HHEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000438454608 982805650 /nfs/dbraw/zinc/80/56/50/982805650.db2.gz LCRHJEWZWHKXAU-OTWHNJEPSA-N 0 1 401.555 3.723 20 30 HHEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000438454607 982806008 /nfs/dbraw/zinc/80/60/08/982806008.db2.gz LCRHJEWZWHKXAU-FHWLQOOXSA-N 0 1 401.555 3.723 20 30 HHEDMN N#Cc1cnn(C2CCCC2)c1NS(=O)(=O)CCc1ccccc1Br ZINC000461118935 982813827 /nfs/dbraw/zinc/81/38/27/982813827.db2.gz QQCCKWLVUZQPJB-UHFFFAOYSA-N 0 1 423.336 3.617 20 30 HHEDMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 ZINC000438756465 983049068 /nfs/dbraw/zinc/04/90/68/983049068.db2.gz IVHDMHPYYKGTEX-UHFFFAOYSA-N 0 1 414.464 3.999 20 30 HHEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@]2(CO)CCCc3ccccc32)c1C#N ZINC000440815901 983918710 /nfs/dbraw/zinc/91/87/10/983918710.db2.gz AWEFPNBEZHWAGF-RUZDIDTESA-N 0 1 420.557 3.844 20 30 HHEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000440819732 983921256 /nfs/dbraw/zinc/92/12/56/983921256.db2.gz WVYLOQQAFAKIEK-UZUQRXQVSA-N 0 1 409.555 3.691 20 30 HHEDMN Cc1cccc(S(=O)(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1C#N ZINC000440829456 983926765 /nfs/dbraw/zinc/92/67/65/983926765.db2.gz WMNGUQMCABMIPT-UHFFFAOYSA-N 0 1 423.469 3.988 20 30 HHEDMN Cc1cccc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1C#N ZINC000440836384 983930606 /nfs/dbraw/zinc/93/06/06/983930606.db2.gz UMDFUGGLLIOIGS-UHFFFAOYSA-N 0 1 408.361 3.736 20 30 HHEDMN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931940 983986344 /nfs/dbraw/zinc/98/63/44/983986344.db2.gz XSQQIQPYKNHLMG-IBGZPJMESA-N 0 1 416.481 3.527 20 30 HHEDMN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)NCC#N ZINC000440953290 983995384 /nfs/dbraw/zinc/99/53/84/983995384.db2.gz BWHBWJBQNKCKOV-LJQANCHMSA-N 0 1 405.420 3.787 20 30 HHEDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441314766 984176624 /nfs/dbraw/zinc/17/66/24/984176624.db2.gz XSXVDNLBQLBSMX-UHFFFAOYSA-N 0 1 403.958 3.933 20 30 HHEDMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000442242599 984763828 /nfs/dbraw/zinc/76/38/28/984763828.db2.gz NMAOJALDZOXFDH-UHFFFAOYSA-N 0 1 406.769 3.920 20 30 HHEDMN N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000461943938 984944410 /nfs/dbraw/zinc/94/44/10/984944410.db2.gz YXKBBFPMMUXYDF-YKSBVNFPSA-N 0 1 417.557 3.500 20 30 HHEDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462023976 985002179 /nfs/dbraw/zinc/00/21/79/985002179.db2.gz ACRQFUBUTXHJEZ-QZTJIDSGSA-N 0 1 408.521 3.820 20 30 HHEDMN N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c1 ZINC000462071846 985043839 /nfs/dbraw/zinc/04/38/39/985043839.db2.gz NCFRBZPPQZSAHV-UHFFFAOYSA-N 0 1 416.437 3.902 20 30 HHEDMN C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000442633990 985109549 /nfs/dbraw/zinc/10/95/49/985109549.db2.gz LODXQZQIZAWKJN-HXUWFJFHSA-N 0 1 421.541 3.703 20 30 HHEDMN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000442674444 985146818 /nfs/dbraw/zinc/14/68/18/985146818.db2.gz CGQKLYVQGNTNMT-HZPDHXFCSA-N 0 1 403.482 3.934 20 30 HHEDMN C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cc2ccccc2o1 ZINC000442884028 985259427 /nfs/dbraw/zinc/25/94/27/985259427.db2.gz JIKZIHSIBHSEQA-AEFFLSMTSA-N 0 1 408.527 3.554 20 30 HHEDMN COc1ccc(NC(=O)CCCC#N)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000462295423 985282642 /nfs/dbraw/zinc/28/26/42/985282642.db2.gz ISWCOZBQDJVQCG-UHFFFAOYSA-N 0 1 407.879 3.782 20 30 HHEDMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000443408591 985563713 /nfs/dbraw/zinc/56/37/13/985563713.db2.gz HZBXAKBXYQKTBR-UHFFFAOYSA-N 0 1 406.389 3.872 20 30 HHEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000463017161 985973751 /nfs/dbraw/zinc/97/37/51/985973751.db2.gz XGLUZIJLMOCAPJ-ZEQRLZLVSA-N 0 1 418.541 3.696 20 30 HHEDMN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1C#N ZINC000443874875 986075710 /nfs/dbraw/zinc/07/57/10/986075710.db2.gz CPTUDXGULRGOSS-GOSISDBHSA-N 0 1 413.547 3.601 20 30 HHEDMN Cc1cc(CN[C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)ccc1C#N ZINC000443999125 986197901 /nfs/dbraw/zinc/19/79/01/986197901.db2.gz BCHVQJXZMHXAJY-FGZHOGPDSA-N 0 1 419.525 3.640 20 30 HHEDMN C=CCN(CC=C)[C@H](CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)C(C)C ZINC000444097676 986296112 /nfs/dbraw/zinc/29/61/12/986296112.db2.gz CPRBOGTZMKMCCR-OAQYLSRUSA-N 0 1 403.548 3.627 20 30 HHEDMN C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)N1CCC(Cc2ccccc2)CC1 ZINC000468663034 986373130 /nfs/dbraw/zinc/37/31/30/986373130.db2.gz VFDVHPZZDLZDBM-PBXXJUDPSA-N 0 1 409.574 3.783 20 30 HHEDMN CC[C@@H](c1ccc(F)cc1F)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000444214279 986397889 /nfs/dbraw/zinc/39/78/89/986397889.db2.gz QVNRRAKOKICURD-QFIPXVFZSA-N 0 1 412.484 3.934 20 30 HHEDMN 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3.686 20 30 HHEDMN C[C@H](NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cccc(C#N)c1 ZINC000612375648 1072493441 /nfs/dbraw/zinc/49/34/41/1072493441.db2.gz SPMRLCXACNYHIB-JXFKEZNVSA-N 0 1 400.486 3.994 20 30 HHEDMN C=CCOc1ccc(CNCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1 ZINC000554980525 1073021325 /nfs/dbraw/zinc/02/13/25/1073021325.db2.gz FWQDSBQGXBSQRM-UHFFFAOYSA-N 0 1 405.498 3.910 20 30 HHEDMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000555134407 1073187573 /nfs/dbraw/zinc/18/75/73/1073187573.db2.gz GSTNQBDGQNKCAA-UHFFFAOYSA-N 0 1 411.439 3.564 20 30 HHEDMN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2c2ccccc2)CC1 ZINC000555161834 1073221594 /nfs/dbraw/zinc/22/15/94/1073221594.db2.gz YUEFUEPERVLMQM-LEWJYISDSA-N 0 1 408.571 3.684 20 30 HHEDMN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000588843978 1073302886 /nfs/dbraw/zinc/30/28/86/1073302886.db2.gz DRBJDNLSSQWXQI-OAHLLOKOSA-N 0 1 417.556 3.831 20 30 HHEDMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298465 1073318543 /nfs/dbraw/zinc/31/85/43/1073318543.db2.gz OAKGYSXBVZRWQC-NTKDMRAZSA-N 0 1 420.532 3.567 20 30 HHEDMN C=C(C)COc1cccc(NC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c1 ZINC000590143141 1073584809 /nfs/dbraw/zinc/58/48/09/1073584809.db2.gz INYLCPLPURGTTL-QHCPKHFHSA-N 0 1 408.546 3.752 20 30 HHEDMN O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[O-] ZINC000760977026 1074763637 /nfs/dbraw/zinc/76/36/37/1074763637.db2.gz BOQZIDLWQVYFEW-JGVLGKFESA-N 0 1 403.866 3.664 20 30 HHEDMN N#Cc1ccc(S(=O)(=O)CCNCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000574897474 1075395970 /nfs/dbraw/zinc/39/59/70/1075395970.db2.gz QLOOGDJNVOXNOF-UHFFFAOYSA-N 0 1 406.507 3.701 20 30 HHEDMN CCN1CCN(c2ccccc2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000601705991 1075644578 /nfs/dbraw/zinc/64/45/78/1075644578.db2.gz QMTSICWMUFECTJ-UHFFFAOYSA-N 0 1 423.586 3.751 20 30 HHEDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)[C@@H]2C ZINC001164863588 720985937 /nfs/dbraw/zinc/98/59/37/720985937.db2.gz WWRDYYBBENXSTR-MRXNPFEDSA-N 0 1 423.565 3.556 20 30 HHEDMN Cn1cc(CN2CC[C@H]3CN(c4nc5cc(F)ccc5c(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164768013 721245522 /nfs/dbraw/zinc/24/55/22/721245522.db2.gz XKTJDAWZTIDLAW-JKSUJKDBSA-N 0 1 424.911 3.591 20 30 HHEDMN N#Cc1ccc(Cl)nc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905250 721536905 /nfs/dbraw/zinc/53/69/05/721536905.db2.gz HHETXDPSXCWHRT-RDJZCZTQSA-N 0 1 422.838 3.633 20 30 HHEDMN N#Cc1cc(Cl)ncc1C(F)(F)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904697 721546777 /nfs/dbraw/zinc/54/67/77/721546777.db2.gz FZRRSBDRXXJMKN-NVXWUHKLSA-N 0 1 422.838 3.633 20 30 HHEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@H]2CCCO[C@H]12 ZINC001164807706 721589431 /nfs/dbraw/zinc/58/94/31/721589431.db2.gz PRDYQHQWJWNXJZ-ZDXQCDESSA-N 0 1 420.633 3.574 20 30 HHEDMN CCN1CCN(c2ccc(CNc3c(C#N)cnc4c(C)cc(F)cc43)cn2)CC1 ZINC000301343793 970878887 /nfs/dbraw/zinc/87/88/87/970878887.db2.gz GKNGBAPVHXSRER-UHFFFAOYSA-N 0 1 404.493 3.703 20 30 HHEDMN C=CCSc1ccccc1NC(=O)CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000302752514 971303203 /nfs/dbraw/zinc/30/32/03/971303203.db2.gz HZPGPQPIYBMQHA-OAQYLSRUSA-N 0 1 411.571 3.566 20 30 HHEDMN N#Cc1ccc(CN2CCCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 ZINC000302900295 971380910 /nfs/dbraw/zinc/38/09/10/971380910.db2.gz RCLDZQIGLLSAPD-UHFFFAOYSA-N 0 1 407.901 3.722 20 30 HHEDMN N#Cc1c(NC(=O)CN2CCN(CCc3ccccc3)CC2)sc2c1CCCCC2 ZINC000302916755 971393675 /nfs/dbraw/zinc/39/36/75/971393675.db2.gz ZQRRPCAHQCMRFD-UHFFFAOYSA-N 0 1 422.598 3.687 20 30 HHEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537562417 1013094483 /nfs/dbraw/zinc/09/44/83/1013094483.db2.gz SLGYDTQIIGTSND-PKOBYXMFSA-N 0 1 412.582 3.763 20 30 HHEDMN Cc1n[nH]c([C@@H]2CCCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)n1 ZINC000537562286 1013094768 /nfs/dbraw/zinc/09/47/68/1013094768.db2.gz STDUEFQURYOGBS-GOSISDBHSA-N 0 1 423.565 3.726 20 30 HHEDMN Cc1nnc([C@@H]2CCCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)[nH]1 ZINC000537562286 1013094786 /nfs/dbraw/zinc/09/47/86/1013094786.db2.gz STDUEFQURYOGBS-GOSISDBHSA-N 0 1 423.565 3.726 20 30 HHEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537562387 1013095546 /nfs/dbraw/zinc/09/55/46/1013095546.db2.gz SLGYDTQIIGTSND-HKUYNNGSSA-N 0 1 412.582 3.763 20 30 HHEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000303416473 971693445 /nfs/dbraw/zinc/69/34/45/971693445.db2.gz WQENWRTWTJATTP-FQEVSTJZSA-N 0 1 422.598 3.737 20 30 HHEDMN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(Cc3ccccc3F)n2)c1 ZINC000303727483 971981113 /nfs/dbraw/zinc/98/11/13/971981113.db2.gz UDRDKVUJAVXKHW-MRXNPFEDSA-N 0 1 409.442 3.843 20 30 HHEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2csc(Cc3ccccc3F)n2)c1 ZINC000303727483 971981120 /nfs/dbraw/zinc/98/11/20/971981120.db2.gz UDRDKVUJAVXKHW-MRXNPFEDSA-N 0 1 409.442 3.843 20 30 HHEDMN N#Cc1c(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)sc2c1CCCC2 ZINC000007600596 961253553 /nfs/dbraw/zinc/25/35/53/961253553.db2.gz XIPGBJTXADXVFH-UHFFFAOYSA-N 0 1 412.534 3.788 20 30 HHEDMN CC(=O)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCCCC2 ZINC000537708536 1013274519 /nfs/dbraw/zinc/27/45/19/1013274519.db2.gz MCQXWMPOLJOEOH-UHFFFAOYSA-N 0 1 405.546 3.831 20 30 HHEDMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCc2cccc(C#N)c2)c1 ZINC000022992529 963750618 /nfs/dbraw/zinc/75/06/18/963750618.db2.gz HTQOOJXUWVNMNF-UHFFFAOYSA-N 0 1 422.462 3.725 20 30 HHEDMN N#CC(C(=O)c1cccc(-n2cnnn2)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051155299 964478046 /nfs/dbraw/zinc/47/80/46/964478046.db2.gz NTLJXJKYQYBOEO-MRXNPFEDSA-N 0 1 406.858 3.929 20 30 HHEDMN COc1ccc(Br)cc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000026225282 964492928 /nfs/dbraw/zinc/49/29/28/964492928.db2.gz ZBOMCIFXULYRNT-UHFFFAOYSA-N 0 1 402.292 3.790 20 30 HHEDMN C=CCc1cc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)cc(OC)c1OC ZINC000051239079 964502711 /nfs/dbraw/zinc/50/27/11/964502711.db2.gz UKYVKVZMVCSCMJ-LJQANCHMSA-N 0 1 413.518 3.662 20 30 HHEDMN C=CCc1cc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)cc(OC)c1OC ZINC000051269852 964514086 /nfs/dbraw/zinc/51/40/86/964514086.db2.gz ITPYAVSFFWBRIO-GOSISDBHSA-N 0 1 403.548 3.596 20 30 HHEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000026297894 964517784 /nfs/dbraw/zinc/51/77/84/964517784.db2.gz GMWABOFJOTZXTM-HXUWFJFHSA-N 0 1 404.558 3.689 20 30 HHEDMN CCCN(CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1ccc(C#N)cc1 ZINC000052826021 964994605 /nfs/dbraw/zinc/99/46/05/964994605.db2.gz WLTJNBHNFHFLPO-SFHVURJKSA-N 0 1 409.530 3.973 20 30 HHEDMN C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000028492161 965118176 /nfs/dbraw/zinc/11/81/76/965118176.db2.gz QKFFTIHQXKTDJR-UHFFFAOYSA-N 0 1 420.918 3.964 20 30 HHEDMN Cc1cc(C)c(C#N)c(SCC(=O)N2CCCN(Cc3ccccc3C)CC2)n1 ZINC000053288612 965121562 /nfs/dbraw/zinc/12/15/62/965121562.db2.gz HKAJODHPKMOVTI-UHFFFAOYSA-N 0 1 408.571 3.705 20 30 HHEDMN Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)c(Br)c1 ZINC000053528164 965206116 /nfs/dbraw/zinc/20/61/16/965206116.db2.gz LFDQVFMYXMLORI-NSHDSACASA-N 0 1 402.252 3.993 20 30 HHEDMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961850 965227066 /nfs/dbraw/zinc/22/70/66/965227066.db2.gz MXDKJCAGSCJJLU-DEOSSOPVSA-N 0 1 404.558 3.676 20 30 HHEDMN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CC(=O)Nc1cccc(C#N)c1 ZINC000054392940 965500922 /nfs/dbraw/zinc/50/09/22/965500922.db2.gz LWIIQDVEEGOFKS-UHFFFAOYSA-N 0 1 405.477 3.601 20 30 HHEDMN N#Cc1ccc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cc1 ZINC000058379628 965713231 /nfs/dbraw/zinc/71/32/31/965713231.db2.gz FVJSEPSNQWGQCI-UHFFFAOYSA-N 0 1 401.444 3.812 20 30 HHEDMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000055648286 965992250 /nfs/dbraw/zinc/99/22/50/965992250.db2.gz AJUGOSRAYNWQQA-UHFFFAOYSA-N 0 1 405.907 3.931 20 30 HHEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000032830832 966333267 /nfs/dbraw/zinc/33/32/67/966333267.db2.gz NOIWXIICFBCAGB-QFQXNSOFSA-N 0 1 418.585 3.837 20 30 HHEDMN N#CC1(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCCC1 ZINC000032830826 966333323 /nfs/dbraw/zinc/33/33/23/966333323.db2.gz NEHDGCRQPNIBNL-UHFFFAOYSA-N 0 1 416.569 3.736 20 30 HHEDMN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041400175 966557267 /nfs/dbraw/zinc/55/72/67/966557267.db2.gz HAIVQVVKFITILR-IBGZPJMESA-N 0 1 413.905 3.552 20 30 HHEDMN CCCCNC(=O)C1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000042133893 966728616 /nfs/dbraw/zinc/72/86/16/966728616.db2.gz LCZTVJYOXPJKAW-FQEVSTJZSA-N 0 1 412.578 3.567 20 30 HHEDMN COc1ccc(CC[C@@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000062932589 966745149 /nfs/dbraw/zinc/74/51/49/966745149.db2.gz LTFDRZHLYNPBJC-HXUWFJFHSA-N 0 1 420.557 3.805 20 30 HHEDMN CSc1cccc(NC(=O)[C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000042643469 966818991 /nfs/dbraw/zinc/81/89/91/966818991.db2.gz JVCWDQNPPPTQKH-SFHVURJKSA-N 0 1 408.571 3.815 20 30 HHEDMN N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC000043851364 967053741 /nfs/dbraw/zinc/05/37/41/967053741.db2.gz DLJPEWMTWXLJEB-UHFFFAOYSA-N 0 1 414.412 3.620 20 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YACZMBCIBGZCMO-CYBMUJFWSA-N 0 1 415.284 3.987 20 30 HHEDMN N#C[C@H](C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1nnc2n1CCCCC2 ZINC000592975910 1075142698 /nfs/dbraw/zinc/14/26/98/1075142698.db2.gz YACZMBCIBGZCMO-CYBMUJFWSA-N 0 1 415.284 3.987 20 30 HHEDMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OCC2(CC#N)CC2)c1 ZINC000761231569 1075679964 /nfs/dbraw/zinc/67/99/64/1075679964.db2.gz MCTWDLFBMFMFAG-UHFFFAOYSA-N 0 1 414.483 3.655 20 30 HHEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 ZINC000602076160 1075695503 /nfs/dbraw/zinc/69/55/03/1075695503.db2.gz YXAZCZMPOXKZIP-UHFFFAOYSA-N 0 1 409.389 3.726 20 30 HHEDMN N#Cc1cc2c(nc1N1CCC3(CC1)CN(Cc1cccs1)CCO3)CCCC2 ZINC001164696292 719897655 /nfs/dbraw/zinc/89/76/55/719897655.db2.gz FUUTZLFSLSVICC-UHFFFAOYSA-N 0 1 408.571 3.765 20 30 HHEDMN N#Cc1cc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164906347 721535721 /nfs/dbraw/zinc/53/57/21/721535721.db2.gz JZNBZEQPGBFJKN-SJLPKXTDSA-N 0 1 422.838 3.633 20 30 HHEDMN N#Cc1cc(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164906345 721536056 /nfs/dbraw/zinc/53/60/56/721536056.db2.gz JZNBZEQPGBFJKN-AEFFLSMTSA-N 0 1 422.838 3.633 20 30 HHEDMN N#Cc1cc(Cl)ncc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904699 721546584 /nfs/dbraw/zinc/54/65/84/721546584.db2.gz FZRRSBDRXXJMKN-RDJZCZTQSA-N 0 1 422.838 3.633 20 30 HHEDMN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCN(CCc4ccccn4)CC3)c12 ZINC001165056490 722020992 /nfs/dbraw/zinc/02/09/92/722020992.db2.gz YJBNEVNYCLWVCH-UHFFFAOYSA-N 0 1 409.896 3.967 20 30 HHEDMN COc1cc(CN2CC[C@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)cc(OC)c1 ZINC000301588598 970993010 /nfs/dbraw/zinc/99/30/10/970993010.db2.gz XQSWYVZARZZHGH-HNNXBMFYSA-N 0 1 406.408 3.676 20 30 HHEDMN CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303359764 971657595 /nfs/dbraw/zinc/65/75/95/971657595.db2.gz IVXUZUXQNRHSIC-LJQANCHMSA-N 0 1 422.554 3.564 20 30 HHEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000303416476 971693567 /nfs/dbraw/zinc/69/35/67/971693567.db2.gz WQENWRTWTJATTP-HXUWFJFHSA-N 0 1 422.598 3.737 20 30 HHEDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000303485115 971784044 /nfs/dbraw/zinc/78/40/44/971784044.db2.gz PBTMQYVNJJULBT-UHFFFAOYSA-N 0 1 412.921 3.565 20 30 HHEDMN N#C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CCN1Cc1ccccc1 ZINC000303598387 971889382 /nfs/dbraw/zinc/88/93/82/971889382.db2.gz UOQQBMUCPMXZMY-IBGZPJMESA-N 0 1 405.889 3.580 20 30 HHEDMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1 ZINC000006171256 960865304 /nfs/dbraw/zinc/86/53/04/960865304.db2.gz MPSRCSQQMUJZOW-OAHLLOKOSA-N 0 1 407.499 3.908 20 30 HHEDMN N#Cc1ccsc1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007449926 961196683 /nfs/dbraw/zinc/19/66/83/961196683.db2.gz IJAHPQBMGKYLCF-UHFFFAOYSA-N 0 1 408.449 3.789 20 30 HHEDMN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000009978233 961723831 /nfs/dbraw/zinc/72/38/31/961723831.db2.gz YGEXIHRVQDGWDX-OAQYLSRUSA-N 0 1 405.889 3.753 20 30 HHEDMN C=CCN(Cc1cccs1)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000010226008 961769640 /nfs/dbraw/zinc/76/96/40/961769640.db2.gz CGSZKLQTQQQKOP-FQEVSTJZSA-N 0 1 411.527 3.607 20 30 HHEDMN CN(C)[C@@H](CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553365963 1013304668 /nfs/dbraw/zinc/30/46/68/1013304668.db2.gz BQLITYAZZVBAOK-UWJYYQICSA-N 0 1 414.912 3.596 20 30 HHEDMN Cc1ccnn1-c1ccccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000542423157 1013375595 /nfs/dbraw/zinc/37/55/95/1013375595.db2.gz SAKKBUUKMRYLJU-UHFFFAOYSA-N 0 1 414.513 3.792 20 30 HHEDMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1C ZINC000015739018 962852027 /nfs/dbraw/zinc/85/20/27/962852027.db2.gz PLXOCJMAYSGVLC-UHFFFAOYSA-N 0 1 421.478 3.928 20 30 HHEDMN Cc1csc([C@H](C#N)C(=O)COC(=O)C=Cc2ccc(C)cc2Br)n1 ZINC000017146208 963162117 /nfs/dbraw/zinc/16/21/17/963162117.db2.gz YHQKKXNSPDEMQL-VBROQKIQSA-N 0 1 419.300 3.955 20 30 HHEDMN Cc1csc(C(C#N)C(=O)COC(=O)C=Cc2ccc(C)cc2Br)n1 ZINC000017146208 963162123 /nfs/dbraw/zinc/16/21/23/963162123.db2.gz YHQKKXNSPDEMQL-VBROQKIQSA-N 0 1 419.300 3.955 20 30 HHEDMN COc1ccc([C@@H](CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)N2CCCC2)cc1 ZINC000017911736 963241319 /nfs/dbraw/zinc/24/13/19/963241319.db2.gz LPNCJEWNGUKLLM-OAQYLSRUSA-N 0 1 418.497 3.826 20 30 HHEDMN CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)CC1 ZINC000023253998 963789674 /nfs/dbraw/zinc/78/96/74/963789674.db2.gz GRYNQBMIJHBNDK-MRXNPFEDSA-N 0 1 402.608 3.737 20 30 HHEDMN Cc1csc(C(C#N)C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)n1 ZINC000048788703 964061093 /nfs/dbraw/zinc/06/10/93/964061093.db2.gz PDIPLVRSAOXSPF-HKUYNNGSSA-N 0 1 403.463 3.884 20 30 HHEDMN Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000025251852 964218815 /nfs/dbraw/zinc/21/88/15/964218815.db2.gz NSOFCRYQGGTJMV-UHFFFAOYSA-N 0 1 406.493 3.861 20 30 HHEDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N[C@@H](CO)CC(F)(F)F ZINC000537910769 1013495911 /nfs/dbraw/zinc/49/59/11/1013495911.db2.gz MHZPFUYBNSPIOT-SSDOTTSWSA-N 0 1 420.260 3.652 20 30 HHEDMN N#Cc1cccc(NC(=O)CCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000026255456 964505863 /nfs/dbraw/zinc/50/58/63/964505863.db2.gz AGTSDZDHSNPUNB-UHFFFAOYSA-N 0 1 416.447 3.723 20 30 HHEDMN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000051449683 964576729 /nfs/dbraw/zinc/57/67/29/964576729.db2.gz AUBCMOVTCHAIOR-ICSRJNTNSA-N 0 1 401.304 3.898 20 30 HHEDMN C=CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1OC ZINC000027342264 964856363 /nfs/dbraw/zinc/85/63/63/964856363.db2.gz SSLQWOZBHNTBHZ-NRFANRHFSA-N 0 1 410.514 3.836 20 30 HHEDMN C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)N1CCc2ccccc2C1 ZINC000052532133 964925143 /nfs/dbraw/zinc/92/51/43/964925143.db2.gz GFRGVDXKFTZKHI-GOSISDBHSA-N 0 1 415.493 3.907 20 30 HHEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953148 965006975 /nfs/dbraw/zinc/00/69/75/965006975.db2.gz DJDGXHQGZWGTLN-RTBURBONSA-N 0 1 422.504 3.812 20 30 HHEDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)n1 ZINC000057170556 965323333 /nfs/dbraw/zinc/32/33/33/965323333.db2.gz DDBORVQDLSIHQT-UHFFFAOYSA-N 0 1 403.446 3.509 20 30 HHEDMN COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)N2CCCCC2)cc1 ZINC000029755189 965486082 /nfs/dbraw/zinc/48/60/82/965486082.db2.gz CLDUKAFKBPVQHU-PGRDOPGGSA-N 0 1 407.514 3.678 20 30 HHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000055083224 965750497 /nfs/dbraw/zinc/75/04/97/965750497.db2.gz FMKIQJHBMGFJPL-QFIPXVFZSA-N 0 1 418.541 3.735 20 30 HHEDMN CSc1ccccc1NC(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172157 965773979 /nfs/dbraw/zinc/77/39/79/965773979.db2.gz IFOGQMVYUDTIBP-SFHVURJKSA-N 0 1 408.571 3.815 20 30 HHEDMN CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055591332 965945737 /nfs/dbraw/zinc/94/57/37/965945737.db2.gz KADGGNGYEUKVTF-UHFFFAOYSA-N 0 1 411.405 3.518 20 30 HHEDMN COCCOCc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055632565 965976334 /nfs/dbraw/zinc/97/63/34/965976334.db2.gz IICGOYMICIOENI-UHFFFAOYSA-N 0 1 414.405 3.541 20 30 HHEDMN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000059358250 966017407 /nfs/dbraw/zinc/01/74/07/966017407.db2.gz NDUPOPAVKHOFGK-OAQYLSRUSA-N 0 1 422.529 3.570 20 30 HHEDMN N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)c2)c1 ZINC000056099086 966213647 /nfs/dbraw/zinc/21/36/47/966213647.db2.gz GOGNCKXLWOBAOF-UHFFFAOYSA-N 0 1 408.417 3.904 20 30 HHEDMN N#Cc1ccc(N2CCN(CCCCOc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000060595302 966222309 /nfs/dbraw/zinc/22/23/09/966222309.db2.gz DTMUXVDLIDYRKG-UHFFFAOYSA-N 0 1 404.436 3.953 20 30 HHEDMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000061110462 966372816 /nfs/dbraw/zinc/37/28/16/966372816.db2.gz ULDQPEFBKCFPPV-UHFFFAOYSA-N 0 1 421.478 3.814 20 30 HHEDMN COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000036684937 966439552 /nfs/dbraw/zinc/43/95/52/966439552.db2.gz JDTQUFLLZSZEAF-FDDCHVKYSA-N 0 1 407.514 3.678 20 30 HHEDMN Cc1cc(C(=O)C(C#N)c2ccccn2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000041493192 966580393 /nfs/dbraw/zinc/58/03/93/966580393.db2.gz AVQJOVMGZDYKFC-IBGZPJMESA-N 0 1 411.527 3.609 20 30 HHEDMN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)N(C)C1CCCCC1 ZINC000041623367 966606520 /nfs/dbraw/zinc/60/65/20/966606520.db2.gz SWYDWUAJJLNJSG-UHFFFAOYSA-N 0 1 416.591 3.550 20 30 HHEDMN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000063754028 966947093 /nfs/dbraw/zinc/94/70/93/966947093.db2.gz GRAXJPZQPOXPAX-KRWDZBQOSA-N 0 1 409.313 3.753 20 30 HHEDMN CCN(CC)[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000542838210 1013700306 /nfs/dbraw/zinc/70/03/06/1013700306.db2.gz LAVJXCUCENRZDU-SFHVURJKSA-N 0 1 410.453 3.681 20 30 HHEDMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)c12 ZINC000064372308 967157550 /nfs/dbraw/zinc/15/75/50/967157550.db2.gz NSYTWHIUSBAZSM-UHFFFAOYSA-N 0 1 416.470 3.822 20 30 HHEDMN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000064372306 967157597 /nfs/dbraw/zinc/15/75/97/967157597.db2.gz VEDMQJXGKIQBFH-UHFFFAOYSA-N 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Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@@H](C)c2cccnc2)c1C#N ZINC000541190640 1011862759 /nfs/dbraw/zinc/86/27/59/1011862759.db2.gz TWMGFRAKCKFFOS-INIZCTEOSA-N 0 1 405.477 3.848 20 30 HHEDMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4ccc(C#N)cn4)cc3)CC2)c1 ZINC000523652697 1012245163 /nfs/dbraw/zinc/24/51/63/1012245163.db2.gz GHQCFTBLMIDQAH-UHFFFAOYSA-N 0 1 411.509 3.836 20 30 HHEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000541645928 1012467202 /nfs/dbraw/zinc/46/72/02/1012467202.db2.gz PWVSDQAYZASMKM-INIZCTEOSA-N 0 1 408.506 3.685 20 30 HHEDMN CC(C)(NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000537134775 1012521943 /nfs/dbraw/zinc/52/19/43/1012521943.db2.gz HRRSSNVKYJAZEA-UHFFFAOYSA-N 0 1 410.386 3.976 20 30 HHEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccnc(O[C@@H]4CCOC4)c3)n2)cc1 ZINC000541717076 1012567052 /nfs/dbraw/zinc/56/70/52/1012567052.db2.gz JREWQTBBLVJRNL-MSOLQXFVSA-N 0 1 421.478 3.871 20 30 HHEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccnc(O[C@@H]4CCOC4)c3)n2)cc1 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ZINC001142657215 1074019115 /nfs/dbraw/zinc/01/91/15/1074019115.db2.gz QUNYDXDINWBESS-JOCHJYFZSA-N 0 1 409.873 3.539 20 30 HHEDMN C=CCN(CC1CCCCC1)C(=O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000555995592 1074024792 /nfs/dbraw/zinc/02/47/92/1074024792.db2.gz NAENKHTVTZCVRA-UHFFFAOYSA-N 0 1 415.553 3.501 20 30 HHEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C)[C@@H](C)C3)sc2C1 ZINC000761068176 1075338565 /nfs/dbraw/zinc/33/85/65/1075338565.db2.gz HDEIBFXMTMKOKB-JKSUJKDBSA-N 0 1 402.608 3.735 20 30 HHEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C)[C@H](C)C3)sc2C1 ZINC000761068175 1075338646 /nfs/dbraw/zinc/33/86/46/1075338646.db2.gz HDEIBFXMTMKOKB-HZPDHXFCSA-N 0 1 402.608 3.735 20 30 HHEDMN Cc1ccc(CNC(=O)CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000328606440 569418456 /nfs/dbraw/zinc/41/84/56/569418456.db2.gz RNYNZKDFQYEPLG-HYBUGGRVSA-N 0 1 417.513 3.950 20 30 HHEDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)[C@H]2C ZINC001164853971 720925788 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HHEDMN Cc1n[nH]c([C@@H]2CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000537561549 1013090834 /nfs/dbraw/zinc/09/08/34/1013090834.db2.gz PPUGAFKJRPDGQU-UKRRQHHQSA-N 0 1 412.563 3.522 20 30 HHEDMN Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)[nH]1 ZINC000537561549 1013090849 /nfs/dbraw/zinc/09/08/49/1013090849.db2.gz PPUGAFKJRPDGQU-UKRRQHHQSA-N 0 1 412.563 3.522 20 30 HHEDMN Cc1oc(NC(=O)CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c(C#N)c1C ZINC000537561777 1013093534 /nfs/dbraw/zinc/09/35/34/1013093534.db2.gz NYSFLVPLOIIRLK-KRWDZBQOSA-N 0 1 410.522 3.752 20 30 HHEDMN Cc1oc(NC(=O)CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(C#N)c1C ZINC000537561777 1013093549 /nfs/dbraw/zinc/09/35/49/1013093549.db2.gz NYSFLVPLOIIRLK-KRWDZBQOSA-N 0 1 410.522 3.752 20 30 HHEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000303532700 971833332 /nfs/dbraw/zinc/83/33/32/971833332.db2.gz GDXJVHZHKLSAFR-INIZCTEOSA-N 0 1 406.891 3.879 20 30 HHEDMN 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417.556 3.608 20 30 HHEDMN Cc1csc(C(C#N)C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)n1 ZINC000041519802 966585597 /nfs/dbraw/zinc/58/55/97/966585597.db2.gz UQKFQLLLIKUBQK-QWQRMKEZSA-N 0 1 417.556 3.608 20 30 HHEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 ZINC000041519522 966585608 /nfs/dbraw/zinc/58/56/08/966585608.db2.gz ATXUKROGPIGNJH-IBGZPJMESA-N 0 1 415.474 3.780 20 30 HHEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 ZINC000041519522 966585616 /nfs/dbraw/zinc/58/56/16/966585616.db2.gz ATXUKROGPIGNJH-IBGZPJMESA-N 0 1 415.474 3.780 20 30 HHEDMN N#CC(C(=O)c1cccc(OCC(N)=O)c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548440 966592105 /nfs/dbraw/zinc/59/21/05/966592105.db2.gz CGFPWMIZSRZWAI-ZDUSSCGKSA-N 0 1 419.384 3.669 20 30 HHEDMN CCCN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000063482352 966873333 /nfs/dbraw/zinc/87/33/33/966873333.db2.gz GCQWOEPFEMPGHF-UHFFFAOYSA-N 0 1 418.419 3.655 20 30 HHEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000538129923 1013691248 /nfs/dbraw/zinc/69/12/48/1013691248.db2.gz WTHKVCHIRMZWPB-SJORKVTESA-N 0 1 408.502 3.640 20 30 HHEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000538168891 1013729136 /nfs/dbraw/zinc/72/91/36/1013729136.db2.gz WCYKYFZBZNDPEU-HNNXBMFYSA-N 0 1 420.469 3.636 20 30 HHEDMN CCc1ccc([C@H](CO)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 ZINC000542913578 1013753795 /nfs/dbraw/zinc/75/37/95/1013753795.db2.gz NRQFRCNRIGEIHZ-QHCPKHFHSA-N 0 1 416.525 3.790 20 30 HHEDMN N#Cc1ccc(CN2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1 ZINC000046874026 967997620 /nfs/dbraw/zinc/99/76/20/967997620.db2.gz UNSXPALWEUDFAQ-UHFFFAOYSA-N 0 1 405.889 3.560 20 30 HHEDMN C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000046905580 968005018 /nfs/dbraw/zinc/00/50/18/968005018.db2.gz UFECNODMUKRVKF-JOCHJYFZSA-N 0 1 413.562 3.695 20 30 HHEDMN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000538224116 1013773741 /nfs/dbraw/zinc/77/37/41/1013773741.db2.gz LPMPIQRCXGVCEH-OAHLLOKOSA-N 0 1 402.491 3.611 20 30 HHEDMN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(OC)c1 ZINC000071972296 968917621 /nfs/dbraw/zinc/91/76/21/968917621.db2.gz RKZZSIKBJFQJMX-HXUWFJFHSA-N 0 1 421.950 3.582 20 30 HHEDMN CCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000097491138 969145427 /nfs/dbraw/zinc/14/54/27/969145427.db2.gz KBPCIPIJJXCULX-UHFFFAOYSA-N 0 1 413.443 3.957 20 30 HHEDMN COc1ccccc1[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N1CCCC1 ZINC000554253853 1013877556 /nfs/dbraw/zinc/87/75/56/1013877556.db2.gz RXELMABOVUEUKB-NRFANRHFSA-N 0 1 404.514 3.692 20 30 HHEDMN C=CCc1ccc(OCC(=O)Nc2cccc(CN3CCSCC3)c2)c(OC)c1 ZINC000109484983 969523788 /nfs/dbraw/zinc/52/37/88/969523788.db2.gz SJHMFJBLIQALBN-UHFFFAOYSA-N 0 1 412.555 3.990 20 30 HHEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000109805561 969568985 /nfs/dbraw/zinc/56/89/85/969568985.db2.gz SGPBQUBLQIBBBS-GOSISDBHSA-N 0 1 414.550 3.558 20 30 HHEDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)c(C#N)c3)[nH]c2c1 ZINC000142586130 970162608 /nfs/dbraw/zinc/16/26/08/970162608.db2.gz IIFKHEUXTGARFH-GOSISDBHSA-N 0 1 400.891 3.922 20 30 HHEDMN COc1ccc(CN[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1OCCCC#N ZINC000237332369 970265128 /nfs/dbraw/zinc/26/51/28/970265128.db2.gz ULJJIZQJFGVHEH-GOSISDBHSA-N 0 1 413.905 3.926 20 30 HHEDMN N#Cc1ccccc1COc1cccc(CNCc2cccnc2N2CCOCC2)c1 ZINC000237838604 970378681 /nfs/dbraw/zinc/37/86/81/970378681.db2.gz MBSWEKIOKGCEDJ-UHFFFAOYSA-N 0 1 414.509 3.659 20 30 HHEDMN N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000247710228 970476526 /nfs/dbraw/zinc/47/65/26/970476526.db2.gz IXIXNSSVZHPQPM-UHFFFAOYSA-N 0 1 410.275 3.790 20 30 HHEDMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1cc(OC)c(OC)cc1OC ZINC000254612834 970575304 /nfs/dbraw/zinc/57/53/04/970575304.db2.gz NIZCGYVSPLTGGT-UHFFFAOYSA-N 0 1 400.460 3.524 20 30 HHEDMN N#Cc1cccc(-n2ccc(C(=O)N3CCC(c4nnc(-c5ccccc5)[nH]4)CC3)n2)c1 ZINC000409621819 973068820 /nfs/dbraw/zinc/06/88/20/973068820.db2.gz ASHPCFUOEPUDDT-UHFFFAOYSA-N 0 1 423.480 3.549 20 30 HHEDMN N#Cc1ccc(N2CC[C@@H](N[C@@H]3CCOc4c(Br)cccc43)C2=O)cc1 ZINC000409841661 973310793 /nfs/dbraw/zinc/31/07/93/973310793.db2.gz BBUVQZLPTXKWQZ-QZTJIDSGSA-N 0 1 412.287 3.539 20 30 HHEDMN Cc1cccc2nc(CCC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)[nH]c21 ZINC000426250144 974344781 /nfs/dbraw/zinc/34/47/81/974344781.db2.gz SFESMXXMEBMSNX-KRWDZBQOSA-N 0 1 405.477 3.600 20 30 HHEDMN Cc1c2cc(C#N)ccc2sc1-c1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 ZINC000426413712 974437853 /nfs/dbraw/zinc/43/78/53/974437853.db2.gz XZALKOJTJFYDAB-UHFFFAOYSA-N 0 1 416.510 3.945 20 30 HHEDMN Cc1ncc(S(=O)(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1C#N ZINC000427108782 974910069 /nfs/dbraw/zinc/91/00/69/974910069.db2.gz FAEINLNBAJKOPA-UHFFFAOYSA-N 0 1 404.451 3.513 20 30 HHEDMN Cc1c(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1C ZINC000427199191 974973147 /nfs/dbraw/zinc/97/31/47/974973147.db2.gz WWSRPJMTZOFYIR-UHFFFAOYSA-N 0 1 416.890 3.633 20 30 HHEDMN Cc1ncc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1C#N ZINC000427202697 974975462 /nfs/dbraw/zinc/97/54/62/974975462.db2.gz DDWLZYPSVODKKU-UHFFFAOYSA-N 0 1 423.932 3.719 20 30 HHEDMN CN(C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(F)c1 ZINC000429734471 977025029 /nfs/dbraw/zinc/02/50/29/977025029.db2.gz IMLWTHUBXCVYBQ-OAQYLSRUSA-N 0 1 405.477 3.636 20 30 HHEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292801 977453459 /nfs/dbraw/zinc/45/34/59/977453459.db2.gz JUQPDXXPGXULTE-MOPGFXCFSA-N 0 1 411.571 3.636 20 30 HHEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292801 977453467 /nfs/dbraw/zinc/45/34/67/977453467.db2.gz JUQPDXXPGXULTE-MOPGFXCFSA-N 0 1 411.571 3.636 20 30 HHEDMN Cc1noc(C[C@H](N[C@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2)n1 ZINC000431176989 978076414 /nfs/dbraw/zinc/07/64/14/978076414.db2.gz FZPKUDPILFUULF-UTKZUKDTSA-N 0 1 403.486 3.587 20 30 HHEDMN N#CCCn1cc(CNc2nc3ccc(Br)cc3[nH]2)c(-c2ccncc2)n1 ZINC000432756436 978960518 /nfs/dbraw/zinc/96/05/18/978960518.db2.gz HWTWNMVWIQDOTQ-UHFFFAOYSA-N 0 1 422.290 3.532 20 30 HHEDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432965425 979027069 /nfs/dbraw/zinc/02/70/69/979027069.db2.gz MTDQMTBGFXCBCI-UHFFFAOYSA-N 0 1 410.249 3.647 20 30 HHEDMN COc1ccccc1-c1noc(C2CCN(CCOc3ccccc3C#N)CC2)n1 ZINC000433177696 979121174 /nfs/dbraw/zinc/12/11/74/979121174.db2.gz VKAVXIXCMNQIEA-UHFFFAOYSA-N 0 1 404.470 3.875 20 30 HHEDMN CCN(CCNC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)CCC(F)(F)F ZINC000433621715 979432045 /nfs/dbraw/zinc/43/20/45/979432045.db2.gz LOYMXGAOXUIOHU-ZDUSSCGKSA-N 0 1 403.342 3.845 20 30 HHEDMN COc1cc(Br)c(S(=O)(=O)Nc2ccc(C#N)cc2)cc1Cl ZINC000433806212 979588059 /nfs/dbraw/zinc/58/80/59/979588059.db2.gz QMJVGEYEGWVXCO-UHFFFAOYSA-N 0 1 401.669 3.784 20 30 HHEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000434102493 979853378 /nfs/dbraw/zinc/85/33/78/979853378.db2.gz SJLSZQZSFMYLFQ-UHFFFAOYSA-N 0 1 422.441 3.831 20 30 HHEDMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000434628519 980306980 /nfs/dbraw/zinc/30/69/80/980306980.db2.gz SCOIUWBTRZVYRH-UHFFFAOYSA-N 0 1 414.405 3.926 20 30 HHEDMN N#Cc1cccc(C2(C(=O)N[C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)c1 ZINC000435021292 980577318 /nfs/dbraw/zinc/57/73/18/980577318.db2.gz PJZOASQWTBIJQM-FQEVSTJZSA-N 0 1 413.443 3.999 20 30 HHEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)C3(c4cccc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000435044354 980592339 /nfs/dbraw/zinc/59/23/39/980592339.db2.gz FXKFBQPESRDUDW-KDURUIRLSA-N 0 1 403.526 3.515 20 30 HHEDMN COc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)N2CCCCC2)cc1 ZINC000435050726 980597100 /nfs/dbraw/zinc/59/71/00/980597100.db2.gz MUVAVMCBQOGHIP-QHCPKHFHSA-N 0 1 403.526 3.942 20 30 HHEDMN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC)cc1OC ZINC000435124283 980656454 /nfs/dbraw/zinc/65/64/54/980656454.db2.gz NVCZDMQFICGKLC-UHFFFAOYSA-N 0 1 405.502 3.898 20 30 HHEDMN COCCCOc1ccccc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435173138 980697789 /nfs/dbraw/zinc/69/77/89/980697789.db2.gz ZUSJVUHJUVYEJW-UHFFFAOYSA-N 0 1 414.405 3.793 20 30 HHEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1C(F)(F)F ZINC000435175037 980698976 /nfs/dbraw/zinc/69/89/76/980698976.db2.gz YCZBEBRZLLPTNM-UHFFFAOYSA-N 0 1 409.389 3.505 20 30 HHEDMN CC(=O)N(c1nc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cs1)c1ccc(C)cc1 ZINC000435338824 980795102 /nfs/dbraw/zinc/79/51/02/980795102.db2.gz KFICVGFRQZOSTK-LCYFTJDESA-N 0 1 405.483 3.960 20 30 HHEDMN C=CCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)c1ccccc1 ZINC000435404126 980842509 /nfs/dbraw/zinc/84/25/09/980842509.db2.gz YOUGZICBPDCZTB-KRWDZBQOSA-N 0 1 418.515 3.513 20 30 HHEDMN CCC(CC)[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)N1CCOCC1 ZINC000435602672 980957642 /nfs/dbraw/zinc/95/76/42/980957642.db2.gz FALXJCKNASEDDN-HSZRJFAPSA-N 0 1 410.562 3.812 20 30 HHEDMN Cn1ccnc1-c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[nH]n1 ZINC000435714940 980998216 /nfs/dbraw/zinc/99/82/16/980998216.db2.gz UHIYJOMCYXBKPV-UHFFFAOYSA-N 0 1 418.844 4.380 20 30 HHEDMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332747 981305932 /nfs/dbraw/zinc/30/59/32/981305932.db2.gz IECRPYUJUUJJNF-RBUKOAKNSA-N 0 1 420.557 3.773 20 30 HHEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)c2O)C1 ZINC000436699695 981519799 /nfs/dbraw/zinc/51/97/99/981519799.db2.gz RMTLZVCASJYCJR-BCMGTOKDSA-N 0 1 422.529 3.797 20 30 HHEDMN C=CCNC(=O)c1cccc(-c2noc(-c3ccc(Br)cc3O)n2)c1 ZINC000436919612 981623750 /nfs/dbraw/zinc/62/37/50/981623750.db2.gz MCICPUUSZVYPRE-UHFFFAOYSA-N 0 1 400.232 3.788 20 30 HHEDMN N#Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)ccc1Cl ZINC000437317250 981968820 /nfs/dbraw/zinc/96/88/20/981968820.db2.gz HDJWGCCWJWQFMP-UHFFFAOYSA-N 0 1 412.858 3.660 20 30 HHEDMN CCCN(C(=O)C(=O)Nc1cccc(C)c1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000437328377 981979909 /nfs/dbraw/zinc/97/99/09/981979909.db2.gz BRYRNOXLHOWQRK-NRFANRHFSA-N 0 1 418.541 3.708 20 30 HHEDMN CCCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000437348225 981998666 /nfs/dbraw/zinc/99/86/66/981998666.db2.gz VDZAOZJSKJIBEY-NRFANRHFSA-N 0 1 422.504 3.539 20 30 HHEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)n(Cc3ccncc3)c2C)n1 ZINC000460369665 982146490 /nfs/dbraw/zinc/14/64/90/982146490.db2.gz MRPKOOPKFSPGFN-KRWDZBQOSA-N 0 1 408.483 3.672 20 30 HHEDMN C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000437717142 982314921 /nfs/dbraw/zinc/31/49/21/982314921.db2.gz AKHAOJGYRVOZHN-IMWIBFENSA-N 0 1 418.541 3.729 20 30 HHEDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437882589 982433217 /nfs/dbraw/zinc/43/32/17/982433217.db2.gz QXSHVJBCFQEQCE-HNNXBMFYSA-N 0 1 419.394 3.782 20 30 HHEDMN CSc1ccc(CCNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000437988146 982509156 /nfs/dbraw/zinc/50/91/56/982509156.db2.gz ADGRRLQIJHWSAW-UHFFFAOYSA-N 0 1 408.571 3.740 20 30 HHEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000438454610 982806343 /nfs/dbraw/zinc/80/63/43/982806343.db2.gz 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CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000440802315 983912725 /nfs/dbraw/zinc/91/27/25/983912725.db2.gz CYRJQXLXEGGEPH-NRFANRHFSA-N 0 1 407.514 3.809 20 30 HHEDMN Cc1cccc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1C#N ZINC000440813338 983917858 /nfs/dbraw/zinc/91/78/58/983917858.db2.gz ANYCXXWQLJMSNN-MHZLTWQESA-N 0 1 410.520 3.975 20 30 HHEDMN C=CCC[C@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865774 983941890 /nfs/dbraw/zinc/94/18/90/983941890.db2.gz QCCJYQOGFHGXKG-LPHOPBHVSA-N 0 1 412.500 3.648 20 30 HHEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441272568 984152121 /nfs/dbraw/zinc/15/21/21/984152121.db2.gz AEXCSSYEHDDYQM-IXDOHACOSA-N 0 1 401.576 3.964 20 30 HHEDMN Cc1cccc(N2CCN(CCC(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000461982400 984966533 /nfs/dbraw/zinc/96/65/33/984966533.db2.gz GTLVNCKNCNLOPR-UHFFFAOYSA-N 0 1 406.530 3.805 20 30 HHEDMN CN1CCN(Cc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462007541 984987304 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HHEDMN CC(C)(CCC#N)CN1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000462832144 985754471 /nfs/dbraw/zinc/75/44/71/985754471.db2.gz KKUGHOBNVXEOSH-DEOSSOPVSA-N 0 1 418.585 3.992 20 30 HHEDMN Cc1cc(CN[C@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)ccc1C#N ZINC000443999126 986197758 /nfs/dbraw/zinc/19/77/58/986197758.db2.gz BCHVQJXZMHXAJY-VXKWHMMOSA-N 0 1 419.525 3.640 20 30 HHEDMN N#CCCCn1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000444030115 986225357 /nfs/dbraw/zinc/22/53/57/986225357.db2.gz JWFFMNDAJCYBTJ-UHFFFAOYSA-N 0 1 401.514 3.734 20 30 HHEDMN N#Cc1cccc(OCc2cccc(C(=O)NCCc3nnc(-c4ccccc4)[nH]3)c2)c1 ZINC000463367376 986333020 /nfs/dbraw/zinc/33/30/20/986333020.db2.gz KHQJXEPTZQDUJK-UHFFFAOYSA-N 0 1 423.476 3.895 20 30 HHEDMN COc1ccccc1C[C@H](C)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444244115 986436776 /nfs/dbraw/zinc/43/67/76/986436776.db2.gz PJKLKQBWDYJFIV-KRWDZBQOSA-N 0 1 418.459 3.745 20 30 HHEDMN CSc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1Cl ZINC000463528896 986505882 /nfs/dbraw/zinc/50/58/82/986505882.db2.gz YWFOOCLKLLIFPT-UHFFFAOYSA-N 0 1 419.919 3.502 20 30 HHEDMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000468798494 986508068 /nfs/dbraw/zinc/50/80/68/986508068.db2.gz CXTOLHIHQRBMKH-UHFFFAOYSA-N 0 1 417.288 3.616 20 30 HHEDMN COc1cc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469009854 986715441 /nfs/dbraw/zinc/71/54/41/986715441.db2.gz OJVBLQNECLRKCY-QZTJIDSGSA-N 0 1 407.514 3.876 20 30 HHEDMN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(c2ccccc2)CC1 ZINC000444674833 986858245 /nfs/dbraw/zinc/85/82/45/986858245.db2.gz LPKAKKZAWZZZNR-UHFFFAOYSA-N 0 1 400.444 3.837 20 30 HHEDMN C[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CCN1Cc1ccccc1 ZINC000469158546 986883313 /nfs/dbraw/zinc/88/33/13/986883313.db2.gz VWEGWWNYSMGXRN-GOSISDBHSA-N 0 1 400.482 3.950 20 30 HHEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444774328 986933451 /nfs/dbraw/zinc/93/34/51/986933451.db2.gz IOTWISCPTFCZCX-JQJXBVGUSA-N 0 1 411.590 3.623 20 30 HHEDMN COc1cc(Br)ccc1[C@@H](C)N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000469255117 986974440 /nfs/dbraw/zinc/97/44/40/986974440.db2.gz NXGSRDFIKJLDTL-ACJLOTCBSA-N 0 1 414.303 3.785 20 30 HHEDMN CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000469297393 987013600 /nfs/dbraw/zinc/01/36/00/987013600.db2.gz VMBBVUXDMJPHNL-QHCPKHFHSA-N 0 1 404.558 3.877 20 30 HHEDMN CCO[C@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000445000931 987130533 /nfs/dbraw/zinc/13/05/33/987130533.db2.gz QWILANWBWDBMJH-HSZRJFAPSA-N 0 1 406.530 3.553 20 30 HHEDMN FC(F)(F)c1ccc(O[C@H]2CCN(CCOCC(F)(F)C(F)(F)F)C2)nc1 ZINC000469786517 987432028 /nfs/dbraw/zinc/43/20/28/987432028.db2.gz OEBCDDFCLQSYDC-NSHDSACASA-N 0 1 408.289 3.768 20 30 HHEDMN N#CC1(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000464160535 988282576 /nfs/dbraw/zinc/28/25/76/988282576.db2.gz QBSDBFYXVKCZRW-ROUUACIJSA-N 0 1 413.443 3.882 20 30 HHEDMN N#C[C@@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464414026 988584356 /nfs/dbraw/zinc/58/43/56/988584356.db2.gz ZFGRETFLUGNKCT-OAHLLOKOSA-N 0 1 401.304 3.684 20 30 HHEDMN N#CC(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464414026 988584364 /nfs/dbraw/zinc/58/43/64/988584364.db2.gz ZFGRETFLUGNKCT-OAHLLOKOSA-N 0 1 401.304 3.684 20 30 HHEDMN N#CC(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cc(C(F)(F)F)ccn1 ZINC000464420979 988592291 /nfs/dbraw/zinc/59/22/91/988592291.db2.gz KTALUACUYMYXQU-GFCCVEGCSA-N 0 1 401.304 3.684 20 30 HHEDMN COCCc1nnc(-c2cccc(C(=O)C(C#N)c3cc(C(F)(F)F)ccn3)c2)o1 ZINC000464423034 988594773 /nfs/dbraw/zinc/59/47/73/988594773.db2.gz YKXBUEHUTOECBC-OAHLLOKOSA-N 0 1 416.359 3.829 20 30 HHEDMN CC(C)c1nn(-c2ccccc2)cc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000470615053 988632433 /nfs/dbraw/zinc/63/24/33/988632433.db2.gz YFGQTWFBSUFRMW-UHFFFAOYSA-N 0 1 416.453 3.624 20 30 HHEDMN N#C[C@H](C(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccn1 ZINC000464471990 988644812 /nfs/dbraw/zinc/64/48/12/988644812.db2.gz NPQUXSITFPWEKG-LBPRGKRZSA-N 0 1 400.316 3.709 20 30 HHEDMN N#CC(C(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccn1 ZINC000464471990 988644816 /nfs/dbraw/zinc/64/48/16/988644816.db2.gz NPQUXSITFPWEKG-LBPRGKRZSA-N 0 1 400.316 3.709 20 30 HHEDMN C=CCn1c(=O)[nH]nc1SCC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000470822506 988890782 /nfs/dbraw/zinc/89/07/82/988890782.db2.gz QUEJYHIOTNFDBO-UHFFFAOYSA-N 0 1 413.528 3.588 20 30 HHEDMN C=CCN1C(=O)N=NC1S[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000470824565 988894863 /nfs/dbraw/zinc/89/48/63/988894863.db2.gz ZWPUXYYYAGCNAH-NXEZZACHSA-N 0 1 403.533 3.858 20 30 HHEDMN COc1ccc(NC(=O)CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000470991752 989056214 /nfs/dbraw/zinc/05/62/14/989056214.db2.gz FLPNKGOHFZGPRQ-NRFANRHFSA-N 0 1 412.921 3.560 20 30 HHEDMN N#Cc1ccc(F)c(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000465521415 989874787 /nfs/dbraw/zinc/87/47/87/989874787.db2.gz HFQJFMSGGCUFQE-FQEVSTJZSA-N 0 1 400.885 3.987 20 30 HHEDMN Cc1ccc2nc(CNC(=O)NC3CCC(Oc4ccccc4C#N)CC3)[nH]c2c1 ZINC000465884593 991006786 /nfs/dbraw/zinc/00/67/86/991006786.db2.gz GGPOPFQVGQQPLE-UHFFFAOYSA-N 0 1 403.486 3.932 20 30 HHEDMN COc1cccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)N2CCCC2)c1 ZINC000466626848 991942372 /nfs/dbraw/zinc/94/23/72/991942372.db2.gz KGMYMGZNNGBBKT-FQEVSTJZSA-N 0 1 423.517 3.731 20 30 HHEDMN COC[C@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000467123504 992438615 /nfs/dbraw/zinc/43/86/15/992438615.db2.gz ZDJDWYGKKMERAG-IBGZPJMESA-N 0 1 424.545 3.661 20 30 HHEDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140461 992456437 /nfs/dbraw/zinc/45/64/37/992456437.db2.gz RMMYQTZOBPARDJ-MAUKXSAKSA-N 0 1 419.497 3.683 20 30 HHEDMN C=CCCN(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000467293891 992618864 /nfs/dbraw/zinc/61/88/64/992618864.db2.gz QJKZBHHGRVZLEO-SFHVURJKSA-N 0 1 413.543 3.951 20 30 HHEDMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000467438935 992735657 /nfs/dbraw/zinc/73/56/57/992735657.db2.gz RKUKJSPHDNTQKJ-UHFFFAOYSA-N 0 1 414.314 3.606 20 30 HHEDMN COc1cc2c(cc1OC)CCN(Cc1ccc(C#N)cc1Br)CC2 ZINC000480735290 993600470 /nfs/dbraw/zinc/60/04/70/993600470.db2.gz POOLIXUDVLNUHM-UHFFFAOYSA-N 0 1 401.304 3.939 20 30 HHEDMN C=CCCCCNS(=O)(=O)c1scc(Br)c1Br ZINC000472689985 993611741 /nfs/dbraw/zinc/61/17/41/993611741.db2.gz UUKWVJFLFWTGFG-UHFFFAOYSA-N 0 1 403.161 3.908 20 30 HHEDMN C=CCC[C@H](O)CN1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472773875 993714562 /nfs/dbraw/zinc/71/45/62/993714562.db2.gz GHJWQZPDVFAYOS-QAPCUYQASA-N 0 1 424.467 3.761 20 30 HHEDMN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000472842610 993776958 /nfs/dbraw/zinc/77/69/58/993776958.db2.gz UOHCAJDLGFRCRC-UHFFFAOYSA-N 0 1 423.582 3.779 20 30 HHEDMN Cc1cc2[nH]ncc2cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000481336678 994156496 /nfs/dbraw/zinc/15/64/96/994156496.db2.gz GXADXDQZLDKIAZ-UHFFFAOYSA-N 0 1 416.441 3.846 20 30 HHEDMN C=CCN(CC=C)C(=O)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000473514202 994366727 /nfs/dbraw/zinc/36/67/27/994366727.db2.gz SPGPJEYGKBQKDZ-UHFFFAOYSA-N 0 1 423.336 3.536 20 30 HHEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481576798 994415267 /nfs/dbraw/zinc/41/52/67/994415267.db2.gz YATPLKKVTBSQSA-MRXNPFEDSA-N 0 1 411.468 3.804 20 30 HHEDMN N#Cc1ccc(C2(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000473571646 994439022 /nfs/dbraw/zinc/43/90/22/994439022.db2.gz VEWLJNNZMLTWNY-UHFFFAOYSA-N 0 1 422.960 3.572 20 30 HHEDMN C[C@H](N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000473793835 994718114 /nfs/dbraw/zinc/71/81/14/994718114.db2.gz HWYMWHMPZUZLBY-BULFRSBZSA-N 0 1 419.525 3.893 20 30 HHEDMN N#Cc1ccc([C@@H](N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C(N)=O)cc1 ZINC000473794417 994718773 /nfs/dbraw/zinc/71/87/73/994718773.db2.gz LAHUKUVGRWSMRA-VQIMIIECSA-N 0 1 403.313 3.650 20 30 HHEDMN COc1cccc([C@H]2[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CCN2C2CC2)c1 ZINC000474156283 995140370 /nfs/dbraw/zinc/14/03/70/995140370.db2.gz DULDPBMZGGLIKC-GOTSBHOMSA-N 0 1 401.510 3.693 20 30 HHEDMN COC(=O)CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000474239903 995237762 /nfs/dbraw/zinc/23/77/62/995237762.db2.gz MMQCGPIHMUQNEN-UHFFFAOYSA-N 0 1 403.548 3.635 20 30 HHEDMN C[C@@H]1CN(c2nccnc2C#N)CCN1CCCCc1cccc(C(F)(F)F)c1 ZINC000474262057 995260738 /nfs/dbraw/zinc/26/07/38/995260738.db2.gz DDOGOQSSUJHUFU-MRXNPFEDSA-N 0 1 403.452 3.900 20 30 HHEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000474439270 995400465 /nfs/dbraw/zinc/40/04/65/995400465.db2.gz LHZXBYYUMMFKNN-MRXNPFEDSA-N 0 1 403.529 3.541 20 30 HHEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000474439270 995400470 /nfs/dbraw/zinc/40/04/70/995400470.db2.gz LHZXBYYUMMFKNN-MRXNPFEDSA-N 0 1 403.529 3.541 20 30 HHEDMN CC(C)c1csc([C@H](C#N)C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)n1 ZINC000474439680 995401406 /nfs/dbraw/zinc/40/14/06/995401406.db2.gz NQCKBQLYNNAFJJ-MRXNPFEDSA-N 0 1 405.545 3.785 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CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443366696 985527034 /nfs/dbraw/zinc/52/70/34/985527034.db2.gz MQQPAZCGBGFMAM-UHFFFAOYSA-N 0 1 419.304 3.815 20 30 HHEDMN C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000443411015 985566816 /nfs/dbraw/zinc/56/68/16/985566816.db2.gz TYLBIAXCGILQSS-UHFFFAOYSA-N 0 1 401.488 3.508 20 30 HHEDMN COc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000443422657 985580186 /nfs/dbraw/zinc/58/01/86/985580186.db2.gz MPXNOBSGPAXIEW-UHFFFAOYSA-N 0 1 404.451 3.911 20 30 HHEDMN N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)o1 ZINC000468206805 985897929 /nfs/dbraw/zinc/89/79/29/985897929.db2.gz PSZXUUTVSKBRTH-UHFFFAOYSA-N 0 1 403.373 3.907 20 30 HHEDMN CC(C)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCc2ccccc2C1 ZINC000468250889 985949026 /nfs/dbraw/zinc/94/90/26/985949026.db2.gz GGOWNORTSIRUPR-UHFFFAOYSA-N 0 1 400.482 3.780 20 30 HHEDMN Cc1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1C#N ZINC000443874877 986075586 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HHEDMN CN1CCN(Cc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468825882 986535035 /nfs/dbraw/zinc/53/50/35/986535035.db2.gz DZCLGAYJEDCWLV-HXUWFJFHSA-N 0 1 417.340 3.735 20 30 HHEDMN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1 ZINC000444386645 986561317 /nfs/dbraw/zinc/56/13/17/986561317.db2.gz SLPGKAGILDSEFB-GOSISDBHSA-N 0 1 407.514 3.576 20 30 HHEDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000444390851 986567126 /nfs/dbraw/zinc/56/71/26/986567126.db2.gz XNVHCCPEYLVQHY-KRWDZBQOSA-N 0 1 409.555 3.627 20 30 HHEDMN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)sc1C ZINC000468907451 986613782 /nfs/dbraw/zinc/61/37/82/986613782.db2.gz IUFZYYVHMKKBFI-UHFFFAOYSA-N 0 1 400.323 3.923 20 30 HHEDMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)O1 ZINC000469008359 986713062 /nfs/dbraw/zinc/71/30/62/986713062.db2.gz NMKYNGQEHRYRHO-VAMGGRTRSA-N 0 1 408.546 3.659 20 30 HHEDMN COc1cc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469010087 986716438 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N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCN(C4CCCC4)CC3)c2)c1 ZINC000048125849 968442491 /nfs/dbraw/zinc/44/24/91/968442491.db2.gz CIEXCKMCZFQXHF-UHFFFAOYSA-N 0 1 417.513 3.903 20 30 HHEDMN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000072071855 968972028 /nfs/dbraw/zinc/97/20/28/968972028.db2.gz GDLPRMZFPFITPV-UHFFFAOYSA-N 0 1 403.526 3.600 20 30 HHEDMN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000078994493 969026975 /nfs/dbraw/zinc/02/69/75/969026975.db2.gz JWMBDNIQLMRERL-GOSISDBHSA-N 0 1 423.488 3.674 20 30 HHEDMN COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000097038365 969082570 /nfs/dbraw/zinc/08/25/70/969082570.db2.gz GNUQSCJDLLVRIY-XMMPIXPASA-N 0 1 412.449 3.728 20 30 HHEDMN COCc1nc2sc(C(=O)C(C#N)c3nc4ccccc4n3C)c(C)c2c(OC)n1 ZINC000097261706 969112087 /nfs/dbraw/zinc/11/20/87/969112087.db2.gz HJAPRBXYDRZTTJ-LBPRGKRZSA-N 0 1 421.482 3.532 20 30 HHEDMN C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3CCCC)cc2[n-]c1=S ZINC000109874506 969582533 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HHEDMN C=CCc1cc(CN(Cc2cncs2)C2CCN(C(C)=O)CC2)cc(OC)c1O ZINC000430198042 977387186 /nfs/dbraw/zinc/38/71/86/977387186.db2.gz QHHJMKBGUBORSA-UHFFFAOYSA-N 0 1 415.559 3.599 20 30 HHEDMN C=CCN1C(=O)N(C[C@H](c2ccc(C)o2)N2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431133106 978039671 /nfs/dbraw/zinc/03/96/71/978039671.db2.gz RKCBSPDJMPBQFN-LEWJYISDSA-N 0 1 407.514 3.786 20 30 HHEDMN C=CCN1C(=O)N(C[C@@H](c2ccc(C)o2)N2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431133108 978039690 /nfs/dbraw/zinc/03/96/90/978039690.db2.gz RKCBSPDJMPBQFN-RTWAWAEBSA-N 0 1 407.514 3.786 20 30 HHEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000431779626 978506770 /nfs/dbraw/zinc/50/67/70/978506770.db2.gz UWLUHJGQCLUCJH-UHFFFAOYSA-N 0 1 407.218 3.827 20 30 HHEDMN COCCCOc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000432183146 978703840 /nfs/dbraw/zinc/70/38/40/978703840.db2.gz VPBIRRNIESOLHW-UHFFFAOYSA-N 0 1 414.405 3.793 20 30 HHEDMN COCCCOc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000432185939 978704887 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/nfs/dbraw/zinc/09/11/30/1072091130.db2.gz RMJAOWDNFQUWMZ-UHFFFAOYSA-N 0 1 414.796 3.585 20 30 HHEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000729812244 1072127218 /nfs/dbraw/zinc/12/72/18/1072127218.db2.gz POXUWRZNNKSMEV-FQEVSTJZSA-N 0 1 410.539 3.964 20 30 HHEDMN Cc1cc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)ccc1C#N ZINC000488238637 1072153347 /nfs/dbraw/zinc/15/33/47/1072153347.db2.gz VCTZGEMYUNOLAC-MRXNPFEDSA-N 0 1 403.482 3.681 20 30 HHEDMN C[C@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611854727 1072156625 /nfs/dbraw/zinc/15/66/25/1072156625.db2.gz ZOPVYTSSPPVUNH-NTUVXCKYSA-N 0 1 418.541 3.527 20 30 HHEDMN C[C@H](NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611854725 1072156661 /nfs/dbraw/zinc/15/66/61/1072156661.db2.gz ZOPVYTSSPPVUNH-GKVQRAMASA-N 0 1 418.541 3.527 20 30 HHEDMN Cc1cc(CN2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc(F)c1F ZINC001143600219 1072437839 /nfs/dbraw/zinc/43/78/39/1072437839.db2.gz QIQIQXOYNALIEG-HSZRJFAPSA-N 0 1 412.484 3.659 20 30 HHEDMN C=CCOc1ccc(C=CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1OC ZINC000729847115 1072535112 /nfs/dbraw/zinc/53/51/12/1072535112.db2.gz IOMVWQOQKCQQRA-WZUFQYTHSA-N 0 1 408.433 3.514 20 30 HHEDMN C=CCOc1ccc(C=CC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1OC ZINC000729847115 1072535120 /nfs/dbraw/zinc/53/51/20/1072535120.db2.gz IOMVWQOQKCQQRA-WZUFQYTHSA-N 0 1 408.433 3.514 20 30 HHEDMN Cc1cc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n[nH]1 ZINC000588347883 1073030131 /nfs/dbraw/zinc/03/01/31/1073030131.db2.gz SAMNBSSXFDMRPI-UHFFFAOYSA-N 0 1 420.420 3.978 20 30 HHEDMN CCN1CC[C@H](NCc2cccc(C(=O)OC)c2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000555131793 1073182942 /nfs/dbraw/zinc/18/29/42/1073182942.db2.gz CGWXNVUGOJOPDE-PZJWPPBQSA-N 0 1 417.431 3.687 20 30 HHEDMN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(CCOC(C)C)CC1 ZINC000555261466 1073294946 /nfs/dbraw/zinc/29/49/46/1073294946.db2.gz WYEAQOSYIGBPDZ-UHFFFAOYSA-N 0 1 401.530 3.516 20 30 HHEDMN C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298464 1073318283 /nfs/dbraw/zinc/31/82/83/1073318283.db2.gz OAKGYSXBVZRWQC-DVECYGJZSA-N 0 1 420.532 3.567 20 30 HHEDMN C=C(C)COc1cccc(NC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c1 ZINC000590143140 1073584608 /nfs/dbraw/zinc/58/46/08/1073584608.db2.gz INYLCPLPURGTTL-HSZRJFAPSA-N 0 1 408.546 3.752 20 30 HHEDMN C=CC1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)CC1 ZINC000600418073 1073864274 /nfs/dbraw/zinc/86/42/74/1073864274.db2.gz TYYRYFUASWALGA-UHFFFAOYSA-N 0 1 414.527 3.843 20 30 HHEDMN CC(C)[C@@H](NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000590615036 1073942297 /nfs/dbraw/zinc/94/22/97/1073942297.db2.gz ICPPLBZBMHQIEL-RUZDIDTESA-N 0 1 422.548 3.719 20 30 HHEDMN C=CCn1c(CCN2CCCCC2)nn(CCN2C[C@@H](C(C)(C)C)CC2=O)c1=S ZINC000783992642 1074129868 /nfs/dbraw/zinc/12/98/68/1074129868.db2.gz KQPOPYINJHEREH-SFHVURJKSA-N 0 1 419.639 3.523 20 30 HHEDMN O=C(CC(F)(F)C(F)(F)F)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001649006476 1074202546 /nfs/dbraw/zinc/20/25/46/1074202546.db2.gz UUGHMRMJYNISFB-VIFPVBQESA-N 0 1 418.284 3.773 20 30 HHEDMN C#CCN1CCC(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000760955150 1074708151 /nfs/dbraw/zinc/70/81/51/1074708151.db2.gz HMMPFSOCNYKTSF-UHFFFAOYSA-N 0 1 409.357 3.846 20 30 HHEDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)[C@@H]2C ZINC001164853970 720925060 /nfs/dbraw/zinc/92/50/60/720925060.db2.gz DGFGSVUWAGPUMB-CYBMUJFWSA-N 0 1 408.884 3.769 20 30 HHEDMN N#Cc1ccc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900445 721512883 /nfs/dbraw/zinc/51/28/83/721512883.db2.gz RCAKDBNRGFKALO-NVXWUHKLSA-N 0 1 422.838 3.633 20 30 HHEDMN N#Cc1nc(Cl)ccc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900086 721526270 /nfs/dbraw/zinc/52/62/70/721526270.db2.gz NWYFKYGETNCZFI-HOCLYGCPSA-N 0 1 422.838 3.633 20 30 HHEDMN N#Cc1cnc(Cl)cc1C(F)(F)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912401 721536427 /nfs/dbraw/zinc/53/64/27/721536427.db2.gz ZPKHVUKKDWNFAK-DOTOQJQBSA-N 0 1 422.838 3.633 20 30 HHEDMN N#Cc1ccc(Cl)nc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905251 721536575 /nfs/dbraw/zinc/53/65/75/721536575.db2.gz HHETXDPSXCWHRT-WBVHZDCISA-N 0 1 422.838 3.633 20 30 HHEDMN N#Cc1cc(Cl)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164906275 721699369 /nfs/dbraw/zinc/69/93/69/721699369.db2.gz NBUZDPNOVGBPOI-IBGZPJMESA-N 0 1 403.864 3.739 20 30 HHEDMN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537550421 1013071609 /nfs/dbraw/zinc/07/16/09/1013071609.db2.gz BIUSXTAYQGNXOO-VQIMIIECSA-N 0 1 401.470 3.517 20 30 HHEDMN Cc1oc(NC(=O)CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c(C#N)c1C ZINC000537561778 1013092182 /nfs/dbraw/zinc/09/21/82/1013092182.db2.gz NYSFLVPLOIIRLK-QGZVFWFLSA-N 0 1 410.522 3.752 20 30 HHEDMN Cc1oc(NC(=O)CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(C#N)c1C ZINC000537561778 1013092195 /nfs/dbraw/zinc/09/21/95/1013092195.db2.gz NYSFLVPLOIIRLK-QGZVFWFLSA-N 0 1 410.522 3.752 20 30 HHEDMN N#Cc1ccc(-c2nnc(CN3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)cc1 ZINC000537562667 1013097364 /nfs/dbraw/zinc/09/73/64/1013097364.db2.gz CRUIDPXTJAKGAL-LJQANCHMSA-N 0 1 411.469 3.773 20 30 HHEDMN Cc1cccc(-c2cc(NS(=O)(=O)c3ccc(C#N)nc3)n(-c3ccccc3)n2)c1 ZINC000524297339 1013107757 /nfs/dbraw/zinc/10/77/57/1013107757.db2.gz RVAZGVMHDUBUSE-UHFFFAOYSA-N 0 1 415.478 3.915 20 30 HHEDMN CN(C)[C@@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303673997 971951941 /nfs/dbraw/zinc/95/19/41/971951941.db2.gz KKRMJINFAOVRKA-ZDUSSCGKSA-N 0 1 415.353 3.955 20 30 HHEDMN CC(C)(CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000303695313 971968993 /nfs/dbraw/zinc/96/89/93/971968993.db2.gz NAAKCSXMKUYDQX-UHFFFAOYSA-N 0 1 408.521 3.892 20 30 HHEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(CC#N)c2ccccc2)n1 ZINC000006463732 960910054 /nfs/dbraw/zinc/91/00/54/960910054.db2.gz NRFDIHWQDMQJKH-UHFFFAOYSA-N 0 1 413.890 3.783 20 30 HHEDMN COc1ccccc1Nc1ncccc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000016224058 962985154 /nfs/dbraw/zinc/98/51/54/962985154.db2.gz VQFPHUPPPOXRDR-HNNXBMFYSA-N 0 1 422.466 3.632 20 30 HHEDMN COc1ccccc1Nc1ncccc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000016224058 962985184 /nfs/dbraw/zinc/98/51/84/962985184.db2.gz VQFPHUPPPOXRDR-HNNXBMFYSA-N 0 1 422.466 3.632 20 30 HHEDMN CN(C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cccc21 ZINC000553546414 1013441729 /nfs/dbraw/zinc/44/17/29/1013441729.db2.gz RHGXMUFGKBVDBZ-UZLBHIALSA-N 0 1 408.477 3.548 20 30 HHEDMN COc1cc(NC(=O)c2ccco2)c(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000048786732 964060585 /nfs/dbraw/zinc/06/05/85/964060585.db2.gz ZTCBMKGMTPKELQ-ZDUSSCGKSA-N 0 1 411.439 3.804 20 30 HHEDMN N#Cc1ccnc(N2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000025941399 964396479 /nfs/dbraw/zinc/39/64/79/964396479.db2.gz RUJPVAJJLXNWQV-UHFFFAOYSA-N 0 1 411.509 3.771 20 30 HHEDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051056260 964453665 /nfs/dbraw/zinc/45/36/65/964453665.db2.gz HLJMZDTZBBELKR-RTWAWAEBSA-N 0 1 412.578 3.567 20 30 HHEDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051056259 964453983 /nfs/dbraw/zinc/45/39/83/964453983.db2.gz HLJMZDTZBBELKR-LEWJYISDSA-N 0 1 412.578 3.567 20 30 HHEDMN C=CCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)C1CC1 ZINC000537932445 1013517740 /nfs/dbraw/zinc/51/77/40/1013517740.db2.gz JRAFTDDNZUSULT-UHFFFAOYSA-N 0 1 420.918 3.940 20 30 HHEDMN N#Cc1ccsc1NC(=O)CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000052872838 965008691 /nfs/dbraw/zinc/00/86/91/965008691.db2.gz CHSVWQWZEITPBB-UHFFFAOYSA-N 0 1 403.454 3.821 20 30 HHEDMN N#Cc1ccccc1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028844177 965198870 /nfs/dbraw/zinc/19/88/70/965198870.db2.gz BALWIGSKEXWIGM-UHFFFAOYSA-N 0 1 402.420 3.728 20 30 HHEDMN CSc1nc(C2CC2)cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1C#N ZINC000053721603 965255763 /nfs/dbraw/zinc/25/57/63/965255763.db2.gz QETLICICULTNPI-UHFFFAOYSA-N 0 1 406.555 3.901 20 30 HHEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c(C(F)(F)F)c1 ZINC000057120231 965290656 /nfs/dbraw/zinc/29/06/56/965290656.db2.gz QJHWNQILBCMKOG-UHFFFAOYSA-N 0 1 410.402 3.896 20 30 HHEDMN C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000029785409 965499890 /nfs/dbraw/zinc/49/98/90/965499890.db2.gz RQSIYUZLGAPAHU-NSHDSACASA-N 0 1 412.247 3.512 20 30 HHEDMN C[C@@H](NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454800 965524843 /nfs/dbraw/zinc/52/48/43/965524843.db2.gz ZXGSTPWXGHKZCL-GOSISDBHSA-N 0 1 410.949 3.597 20 30 HHEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000055055428 965746535 /nfs/dbraw/zinc/74/65/35/965746535.db2.gz WMVSFAKOHWNMDR-NRFANRHFSA-N 0 1 404.514 3.541 20 30 HHEDMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000058931218 965961259 /nfs/dbraw/zinc/96/12/59/965961259.db2.gz RVSKIFMVTCFCNG-FQEVSTJZSA-N 0 1 421.950 3.582 20 30 HHEDMN CCOc1cc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1OC ZINC000055631716 965975068 /nfs/dbraw/zinc/97/50/68/965975068.db2.gz HIFDMOSHGLHFSG-UHFFFAOYSA-N 0 1 400.378 3.785 20 30 HHEDMN 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