smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)cnc2Cl)cc1 ZINC001164389399 718826588 /nfs/dbraw/zinc/82/65/88/718826588.db2.gz IFYPIUPDPHPHJR-QZTJIDSGSA-N 0 3 404.848 3.386 20 30 HGEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837493 720738761 /nfs/dbraw/zinc/73/87/61/720738761.db2.gz MFMDFINVZKVPKN-UHFFFAOYSA-N 0 3 406.868 3.400 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164875334 721183686 /nfs/dbraw/zinc/18/36/86/721183686.db2.gz KUQXBABMPWSJCE-YADHBBJMSA-N 0 3 406.606 3.185 20 30 HGEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@H]3C2)cn1 ZINC001164765101 721242072 /nfs/dbraw/zinc/24/20/72/721242072.db2.gz QORVHVHEJSVHED-TZIWHRDSSA-N 0 3 404.562 3.259 20 30 HGEDHN N#CC1(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)CCC1 ZINC001164981634 722117782 /nfs/dbraw/zinc/11/77/82/722117782.db2.gz UTBBYFXRHIOYPF-UNMCSNQZSA-N 0 3 403.530 3.149 20 30 HGEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)cnc2Cl)c1 ZINC001164392002 718826639 /nfs/dbraw/zinc/82/66/39/718826639.db2.gz YWLMECJZVJAHBA-ZWKOTPCHSA-N 0 3 404.848 3.386 20 30 HGEDHN N#Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164732040 720476234 /nfs/dbraw/zinc/47/62/34/720476234.db2.gz YHSINKLZXYXSDT-SFTDATJTSA-N 0 3 400.442 3.263 20 30 HGEDHN N#Cc1ccc(Cl)nc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838021 720739058 /nfs/dbraw/zinc/73/90/58/720739058.db2.gz PUVFSCONDLXUFY-UHFFFAOYSA-N 0 3 406.868 3.400 20 30 HGEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164742237 720807417 /nfs/dbraw/zinc/80/74/17/720807417.db2.gz COVILXZDGHZRJN-HZPDHXFCSA-N 0 3 420.904 3.200 20 30 HGEDHN Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(C=NO)c1 ZINC001164907719 721719419 /nfs/dbraw/zinc/71/94/19/721719419.db2.gz SVZJMMKRDDCJBN-FQEVSTJZSA-N 0 3 401.461 3.331 20 30 HGEDHN Cc1cnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771508 721175410 /nfs/dbraw/zinc/17/54/10/721175410.db2.gz QSYNQMHTVKIAQF-VXKWHMMOSA-N 0 3 407.638 3.311 20 30 HGEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)cnc2Cl)c1 ZINC001164392001 718826744 /nfs/dbraw/zinc/82/67/44/718826744.db2.gz YWLMECJZVJAHBA-ROUUACIJSA-N 0 3 404.848 3.386 20 30 HGEDHN CC1(C)CCCc2cc(C#N)c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164867022 721188557 /nfs/dbraw/zinc/18/85/57/721188557.db2.gz DMZZLDMCSYRSGB-YADHBBJMSA-N 0 3 417.557 3.442 20 30 HGEDHN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)cnc2Cl)cc1 ZINC001164389402 718826700 /nfs/dbraw/zinc/82/67/00/718826700.db2.gz IFYPIUPDPHPHJR-ROUUACIJSA-N 0 3 404.848 3.386 20 30 HGEDHN CNC(=O)CN1CCCC12CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164691113 719756434 /nfs/dbraw/zinc/75/64/34/719756434.db2.gz LQUHURMKVXLZND-UHFFFAOYSA-N 0 3 415.900 3.080 20 30 HGEDHN CCCc1cc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164863678 721100732 /nfs/dbraw/zinc/10/07/32/721100732.db2.gz CZEDVKRIRKFCLC-VQTJNVASSA-N 0 3 411.937 3.434 20 30 HGEDHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@@H]3C2)cn1 ZINC001164765084 721241648 /nfs/dbraw/zinc/24/16/48/721241648.db2.gz QORVHVHEJSVHED-FPOVZHCZSA-N 0 3 404.562 3.259 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973032 722154080 /nfs/dbraw/zinc/15/40/80/722154080.db2.gz KHFLGPGSWGBEBS-DHIUTWEWSA-N 0 3 420.633 3.433 20 30 HGEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)cnc2Cl)c1 ZINC001164392000 718826471 /nfs/dbraw/zinc/82/64/71/718826471.db2.gz YWLMECJZVJAHBA-QZTJIDSGSA-N 0 3 404.848 3.386 20 30 HGEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837964 720738092 /nfs/dbraw/zinc/73/80/92/720738092.db2.gz PINLHILCIBMDHV-UHFFFAOYSA-N 0 3 406.868 3.400 20 30 HGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869200 721059155 /nfs/dbraw/zinc/05/91/55/721059155.db2.gz SEKRXJSPWFLILF-ROUUACIJSA-N 0 3 420.904 3.030 20 30 HGEDHN Cc1cnc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771507 721177439 /nfs/dbraw/zinc/17/74/39/721177439.db2.gz QSYNQMHTVKIAQF-FGZHOGPDSA-N 0 3 407.638 3.311 20 30 HGEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164760199 721232313 /nfs/dbraw/zinc/23/23/13/721232313.db2.gz DCBRQNAQZIDXRU-AEFFLSMTSA-N 0 3 406.921 3.452 20 30 HGEDHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@H]3C2)cn1 ZINC001164765093 721241551 /nfs/dbraw/zinc/24/15/51/721241551.db2.gz QORVHVHEJSVHED-PZJWPPBQSA-N 0 3 404.562 3.259 20 30 HGEDHN C[Si](C)(C)C#Cc1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976112 722129871 /nfs/dbraw/zinc/12/98/71/722129871.db2.gz HFLWQHSATPYEOK-XZOQPEGZSA-N 0 3 420.633 3.433 20 30 HGEDHN N#Cc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164732038 720474938 /nfs/dbraw/zinc/47/49/38/720474938.db2.gz YHSINKLZXYXSDT-RTWAWAEBSA-N 0 3 400.442 3.263 20 30 HGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869190 721059137 /nfs/dbraw/zinc/05/91/37/721059137.db2.gz SEKRXJSPWFLILF-MSOLQXFVSA-N 0 3 420.904 3.030 20 30 HGEDHN Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878558 721122694 /nfs/dbraw/zinc/12/26/94/721122694.db2.gz QMWZRYPLBLHIRW-PKTZIBPZSA-N 0 3 420.633 3.494 20 30 HGEDHN Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878561 721124197 /nfs/dbraw/zinc/12/41/97/721124197.db2.gz QMWZRYPLBLHIRW-XZOQPEGZSA-N 0 3 420.633 3.494 20 30 HGEDHN C[Si](C)(C)C#Cc1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976110 722129639 /nfs/dbraw/zinc/12/96/39/722129639.db2.gz HFLWQHSATPYEOK-GOTSBHOMSA-N 0 3 420.633 3.433 20 30 HGEDHN N#Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1Cl ZINC001164973820 722152221 /nfs/dbraw/zinc/15/22/21/722152221.db2.gz MHXZWAHLIZIBDY-KXBFYZLASA-N 0 3 418.328 3.382 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973034 722153877 /nfs/dbraw/zinc/15/38/77/722153877.db2.gz KHFLGPGSWGBEBS-PKTZIBPZSA-N 0 3 420.633 3.433 20 30 HGEDHN CN(C)Cc1ccnc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001165005626 722259103 /nfs/dbraw/zinc/25/91/03/722259103.db2.gz YNWXYPRSQMOYQE-XMMPIXPASA-N 0 3 405.546 3.138 20 30 HGEDHN CCCc1cc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164863663 721100559 /nfs/dbraw/zinc/10/05/59/721100559.db2.gz CZEDVKRIRKFCLC-PMACEKPBSA-N 0 3 411.937 3.434 20 30 HGEDHN C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976111 722130106 /nfs/dbraw/zinc/13/01/06/722130106.db2.gz HFLWQHSATPYEOK-PKTZIBPZSA-N 0 3 420.633 3.433 20 30 HGEDHN N#CC1(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CCOCC1 ZINC001164907699 721550403 /nfs/dbraw/zinc/55/04/03/721550403.db2.gz OAUSMYVHPYJQNI-UNMCSNQZSA-N 0 3 422.504 3.134 20 30 HGEDHN CC1(C)CCCc2cc(C#N)c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164867019 721187965 /nfs/dbraw/zinc/18/79/65/721187965.db2.gz DMZZLDMCSYRSGB-FCHUYYIVSA-N 0 3 417.557 3.442 20 30 HGEDHN N#CC1(c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)CCC1 ZINC001164981603 722117116 /nfs/dbraw/zinc/11/71/16/722117116.db2.gz UTBBYFXRHIOYPF-IFMALSPDSA-N 0 3 403.530 3.149 20 30 HGEDHN N#Cc1ccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])c1 ZINC001473641712 1126198270 /nfs/dbraw/zinc/19/82/70/1126198270.db2.gz ULNMQJICKIAREI-LJQANCHMSA-N 0 3 416.275 3.239 20 30 HGEDHN Cc1cnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771506 721175715 /nfs/dbraw/zinc/17/57/15/721175715.db2.gz QSYNQMHTVKIAQF-FCHUYYIVSA-N 0 3 407.638 3.311 20 30 HGEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164742239 720807702 /nfs/dbraw/zinc/80/77/02/720807702.db2.gz COVILXZDGHZRJN-JKSUJKDBSA-N 0 3 420.904 3.200 20 30 HGEDHN N#Cc1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)cc(Cl)n1 ZINC001164837504 720739192 /nfs/dbraw/zinc/73/91/92/720739192.db2.gz NENTYGBIXIIEJW-UHFFFAOYSA-N 0 3 406.868 3.400 20 30 HGEDHN C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976108 722130168 /nfs/dbraw/zinc/13/01/68/722130168.db2.gz HFLWQHSATPYEOK-DHIUTWEWSA-N 0 3 420.633 3.433 20 30 HGEDHN N#Cc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164731996 720475746 /nfs/dbraw/zinc/47/57/46/720475746.db2.gz YHSINKLZXYXSDT-LEWJYISDSA-N 0 3 400.442 3.263 20 30 HGEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164760202 721233262 /nfs/dbraw/zinc/23/32/62/721233262.db2.gz DCBRQNAQZIDXRU-WMZOPIPTSA-N 0 3 406.921 3.452 20 30 HGEDHN N#CC1(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164907695 721550049 /nfs/dbraw/zinc/55/00/49/721550049.db2.gz OAUSMYVHPYJQNI-IRLDBZIGSA-N 0 3 422.504 3.134 20 30 HGEDHN N#CC1(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CCOCC1 ZINC001164907697 721550193 /nfs/dbraw/zinc/55/01/93/721550193.db2.gz OAUSMYVHPYJQNI-RBBKRZOGSA-N 0 3 422.504 3.134 20 30 HGEDHN N#Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1Cl ZINC001164973817 722151607 /nfs/dbraw/zinc/15/16/07/722151607.db2.gz MHXZWAHLIZIBDY-BEFAXECRSA-N 0 3 418.328 3.382 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973035 722154225 /nfs/dbraw/zinc/15/42/25/722154225.db2.gz KHFLGPGSWGBEBS-XZOQPEGZSA-N 0 3 420.633 3.433 20 30 HGEDHN COc1ccc(C[C@](C)(CO)NCc2ccc(C#N)cc2OC(F)F)cc1OC ZINC001560184353 1126209854 /nfs/dbraw/zinc/20/98/54/1126209854.db2.gz KTYOEXPCEDEQGR-OAQYLSRUSA-N 0 3 406.429 3.260 20 30 HGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869202 721057987 /nfs/dbraw/zinc/05/79/87/721057987.db2.gz SEKRXJSPWFLILF-ZWKOTPCHSA-N 0 3 420.904 3.030 20 30 HGEDHN Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878554 721124031 /nfs/dbraw/zinc/12/40/31/721124031.db2.gz QMWZRYPLBLHIRW-GOTSBHOMSA-N 0 3 420.633 3.494 20 30 HGEDHN N#Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1Cl ZINC001164973818 722152234 /nfs/dbraw/zinc/15/22/34/722152234.db2.gz MHXZWAHLIZIBDY-DNVCBOLYSA-N 0 3 418.328 3.382 20 30 HGEDHN N#Cc1ccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])c1 ZINC001473641703 1126198386 /nfs/dbraw/zinc/19/83/86/1126198386.db2.gz ULNMQJICKIAREI-IBGZPJMESA-N 0 3 416.275 3.239 20 30 HGEDHN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)cnc2Cl)cc1 ZINC001164389404 718826505 /nfs/dbraw/zinc/82/65/05/718826505.db2.gz IFYPIUPDPHPHJR-ZWKOTPCHSA-N 0 3 404.848 3.386 20 30 HGEDHN CCCc1cc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164863675 721101248 /nfs/dbraw/zinc/10/12/48/721101248.db2.gz CZEDVKRIRKFCLC-UXHICEINSA-N 0 3 411.937 3.434 20 30 HGEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@@H]3C2)cn1 ZINC001164765069 721241150 /nfs/dbraw/zinc/24/11/50/721241150.db2.gz QORVHVHEJSVHED-CTNGQTDRSA-N 0 3 404.562 3.259 20 30 HGEDHN N#CC1(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164907694 721550391 /nfs/dbraw/zinc/55/03/91/721550391.db2.gz OAUSMYVHPYJQNI-IFMALSPDSA-N 0 3 422.504 3.134 20 30 HGEDHN N#CC1(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)CCC1 ZINC001164981627 722117735 /nfs/dbraw/zinc/11/77/35/722117735.db2.gz UTBBYFXRHIOYPF-RBBKRZOGSA-N 0 3 403.530 3.149 20 30 HGEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164742235 720807363 /nfs/dbraw/zinc/80/73/63/720807363.db2.gz COVILXZDGHZRJN-HOTGVXAUSA-N 0 3 420.904 3.200 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164875326 721182539 /nfs/dbraw/zinc/18/25/39/721182539.db2.gz KUQXBABMPWSJCE-FCHUYYIVSA-N 0 3 406.606 3.185 20 30 HGEDHN CC1(C)CCCc2cc(C#N)c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164867021 721188095 /nfs/dbraw/zinc/18/80/95/721188095.db2.gz DMZZLDMCSYRSGB-VXKWHMMOSA-N 0 3 417.557 3.442 20 30 HGEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164760200 721232759 /nfs/dbraw/zinc/23/27/59/721232759.db2.gz DCBRQNAQZIDXRU-FUHWJXTLSA-N 0 3 406.921 3.452 20 30 HGEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164760201 721233762 /nfs/dbraw/zinc/23/37/62/721233762.db2.gz DCBRQNAQZIDXRU-SJLPKXTDSA-N 0 3 406.921 3.452 20 30 HGEDHN Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878550 721123547 /nfs/dbraw/zinc/12/35/47/721123547.db2.gz QMWZRYPLBLHIRW-DHIUTWEWSA-N 0 3 420.633 3.494 20 30 HGEDHN N#Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1Cl ZINC001164973819 722151903 /nfs/dbraw/zinc/15/19/03/722151903.db2.gz MHXZWAHLIZIBDY-HNAYVOBHSA-N 0 3 418.328 3.382 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973033 722153977 /nfs/dbraw/zinc/15/39/77/722153977.db2.gz KHFLGPGSWGBEBS-GOTSBHOMSA-N 0 3 420.633 3.433 20 30 HGEDHN Cc1cnc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771509 721176524 /nfs/dbraw/zinc/17/65/24/721176524.db2.gz QSYNQMHTVKIAQF-YADHBBJMSA-N 0 3 407.638 3.311 20 30 HGEDHN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)cnc2Cl)c1 ZINC001164391999 718826463 /nfs/dbraw/zinc/82/64/63/718826463.db2.gz YWLMECJZVJAHBA-MSOLQXFVSA-N 0 3 404.848 3.386 20 30 HGEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164742233 720807710 /nfs/dbraw/zinc/80/77/10/720807710.db2.gz COVILXZDGHZRJN-CVEARBPZSA-N 0 3 420.904 3.200 20 30 HGEDHN CC1(C)CCCc2cc(C#N)c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164867020 721188981 /nfs/dbraw/zinc/18/89/81/721188981.db2.gz DMZZLDMCSYRSGB-FGZHOGPDSA-N 0 3 417.557 3.442 20 30 HGEDHN COc1ccc(C[C@@](C)(CO)NCc2ccc(C#N)cc2Br)cc1OC ZINC001198230877 1126155848 /nfs/dbraw/zinc/15/58/48/1126155848.db2.gz SWNIAJXSDZKAEY-FQEVSTJZSA-N 0 3 419.319 3.421 20 30 HGEDHN COc1ccc(C[C@@](C)(CO)NCc2ccc(C#N)cc2OC(F)F)cc1OC ZINC001560184352 1126209826 /nfs/dbraw/zinc/20/98/26/1126209826.db2.gz KTYOEXPCEDEQGR-NRFANRHFSA-N 0 3 406.429 3.260 20 30 HGEDHN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)cnc2Cl)cc1 ZINC001164389389 718826670 /nfs/dbraw/zinc/82/66/70/718826670.db2.gz IFYPIUPDPHPHJR-MSOLQXFVSA-N 0 3 404.848 3.386 20 30 HGEDHN CCCc1cc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164863684 721100012 /nfs/dbraw/zinc/10/00/12/721100012.db2.gz CZEDVKRIRKFCLC-WOJBJXKFSA-N 0 3 411.937 3.434 20 30 HGEDHN CNC(=O)CN1CCCC12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164692981 719758879 /nfs/dbraw/zinc/75/88/79/719758879.db2.gz WVRHHFHHMUBRBW-UHFFFAOYSA-N 0 3 411.937 3.249 20 30 HGEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837498 720736504 /nfs/dbraw/zinc/73/65/04/720736504.db2.gz MNIUXNLRMIDESM-UHFFFAOYSA-N 0 3 406.868 3.400 20 30 HGEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)c1 ZINC001164837495 720737980 /nfs/dbraw/zinc/73/79/80/720737980.db2.gz MHRSAYOTKIPMIN-UHFFFAOYSA-N 0 3 406.868 3.400 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164875330 721182812 /nfs/dbraw/zinc/18/28/12/721182812.db2.gz KUQXBABMPWSJCE-FGZHOGPDSA-N 0 3 406.606 3.185 20 30 HGEDHN CN(C)Cc1ccnc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001165005623 722259001 /nfs/dbraw/zinc/25/90/01/722259001.db2.gz YNWXYPRSQMOYQE-DEOSSOPVSA-N 0 3 405.546 3.138 20 30 HGEDHN N#Cc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164732037 720476209 /nfs/dbraw/zinc/47/62/09/720476209.db2.gz YHSINKLZXYXSDT-NHCUHLMSSA-N 0 3 400.442 3.263 20 30 HGEDHN N#Cc1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)cnc1Cl ZINC001164836129 720738789 /nfs/dbraw/zinc/73/87/89/720738789.db2.gz AZYGHSMBDBVUMP-UHFFFAOYSA-N 0 3 406.868 3.400 20 30 HGEDHN N#CC1(c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)CCC1 ZINC001164981619 722117331 /nfs/dbraw/zinc/11/73/31/722117331.db2.gz UTBBYFXRHIOYPF-IRLDBZIGSA-N 0 3 403.530 3.149 20 30 HGEDHN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(C=NO)c1 ZINC001164907721 721719503 /nfs/dbraw/zinc/71/95/03/721719503.db2.gz SVZJMMKRDDCJBN-HXUWFJFHSA-N 0 3 401.461 3.331 20 30 HGEDHN COc1ccc(C[C@](C)(CO)NCc2ccc(C#N)cc2Br)cc1OC ZINC001198230881 1126155890 /nfs/dbraw/zinc/15/58/90/1126155890.db2.gz SWNIAJXSDZKAEY-HXUWFJFHSA-N 0 3 419.319 3.421 20 30 HGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869198 721058022 /nfs/dbraw/zinc/05/80/22/721058022.db2.gz SEKRXJSPWFLILF-QZTJIDSGSA-N 0 3 420.904 3.030 20 30 HGEDHN C[Si](C)(C)C#Cc1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164875332 721182714 /nfs/dbraw/zinc/18/27/14/721182714.db2.gz KUQXBABMPWSJCE-VXKWHMMOSA-N 0 3 406.606 3.185 20 30 HGEDHN