smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869572 721191127 /nfs/dbraw/zinc/19/11/27/721191127.db2.gz QOKCLEZUZWGPAR-ROUUACIJSA-N 0 3 437.906 3.774 20 30 IHEDHN Cc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869669 721198252 /nfs/dbraw/zinc/19/82/52/721198252.db2.gz RMDSYSCBGCPYCC-OALUTQOASA-N 0 3 433.943 3.943 20 30 IHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985587 722138242 /nfs/dbraw/zinc/13/82/42/722138242.db2.gz ZZSLXQXRWFMNRW-XMSQKQJNSA-N 0 3 433.943 3.882 20 30 IHEDHN CN(C)CCN1C(=O)c2cccc3cc(NC(=S)Nc4ccc(C#N)cc4)cc(c32)C1=O ZINC000028712281 563062861 /nfs/dbraw/zinc/06/28/61/563062861.db2.gz KMALXUYWHYBVMU-UHFFFAOYSA-N 0 3 443.532 3.678 20 30 IHEDHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985461 722134270 /nfs/dbraw/zinc/13/42/70/722134270.db2.gz ZOOJZLYITSAJPC-ZEQRLZLVSA-N 0 3 434.660 3.741 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026306 721806472 /nfs/dbraw/zinc/80/64/72/721806472.db2.gz QLWGSWXANMYKHW-WBAXXEDZSA-N 0 3 447.008 3.792 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026306 721806474 /nfs/dbraw/zinc/80/64/74/721806474.db2.gz QLWGSWXANMYKHW-WBAXXEDZSA-N 0 3 447.008 3.792 20 30 IHEDHN N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ccc(CN5CCCC5)cn4)C3)C2)c1 ZINC001165005039 722259059 /nfs/dbraw/zinc/25/90/59/722259059.db2.gz UEIGNQIAFOTWFI-AREMUKBSSA-N 0 3 431.584 3.672 20 30 IHEDHN N#Cc1ccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c(OC(F)F)c1 ZINC001473641483 1126198362 /nfs/dbraw/zinc/19/83/62/1126198362.db2.gz PGJAGPNQSJMFJT-HXUWFJFHSA-N 0 3 437.284 3.932 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026304 721806594 /nfs/dbraw/zinc/80/65/94/721806594.db2.gz QLWGSWXANMYKHW-QGTPRVQTSA-N 0 3 447.008 3.792 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026304 721806596 /nfs/dbraw/zinc/80/65/96/721806596.db2.gz QLWGSWXANMYKHW-QGTPRVQTSA-N 0 3 447.008 3.792 20 30 IHEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962300 722058221 /nfs/dbraw/zinc/05/82/21/722058221.db2.gz QOYHEQMCSSPIML-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)c2c1CCNC2 ZINC001164682575 719605700 /nfs/dbraw/zinc/60/57/00/719605700.db2.gz DYRPEIBBBGMJQZ-UHFFFAOYSA-N 0 3 429.302 3.540 20 30 IHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868836 721197469 /nfs/dbraw/zinc/19/74/69/721197469.db2.gz OCZVNHRCRFCOHL-OALUTQOASA-N 0 3 433.943 3.943 20 30 IHEDHN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958894 722053195 /nfs/dbraw/zinc/05/31/95/722053195.db2.gz HLWJOZULLSPRDU-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN Cc1c(Cl)c(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164978415 722106250 /nfs/dbraw/zinc/10/62/50/722106250.db2.gz GUKLDUBOBRJJAL-WMZOPIPTSA-N 0 3 432.355 3.691 20 30 IHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164896904 721514428 /nfs/dbraw/zinc/51/44/28/721514428.db2.gz CBDRFYJYRSJVQO-QTJGBDASSA-N 0 3 443.526 3.922 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026302 721806467 /nfs/dbraw/zinc/80/64/67/721806467.db2.gz QLWGSWXANMYKHW-JCGIZDLHSA-N 0 3 447.008 3.792 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026302 721806468 /nfs/dbraw/zinc/80/64/68/721806468.db2.gz QLWGSWXANMYKHW-JCGIZDLHSA-N 0 3 447.008 3.792 20 30 IHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868838 721196672 /nfs/dbraw/zinc/19/66/72/721196672.db2.gz OCZVNHRCRFCOHL-RBUKOAKNSA-N 0 3 433.943 3.943 20 30 IHEDHN CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164975290 722156319 /nfs/dbraw/zinc/15/63/19/722156319.db2.gz RJTMPKWBVVRGNH-FYYLOGMGSA-N 0 3 431.584 3.689 20 30 IHEDHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985459 722134349 /nfs/dbraw/zinc/13/43/49/722134349.db2.gz ZOOJZLYITSAJPC-RPWUZVMVSA-N 0 3 434.660 3.741 20 30 IHEDHN N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ncccc4CN4CCCC4)C3)C2)c1 ZINC001165005544 722258990 /nfs/dbraw/zinc/25/89/90/722258990.db2.gz XXBCTIJRQDZHAI-SANMLTNESA-N 0 3 431.584 3.672 20 30 IHEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164764807 721250299 /nfs/dbraw/zinc/25/02/99/721250299.db2.gz QFUMZCAAVJPFNC-SJORKVTESA-N 0 3 438.938 3.899 20 30 IHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164896902 721514065 /nfs/dbraw/zinc/51/40/65/721514065.db2.gz CBDRFYJYRSJVQO-JRFVFWCSSA-N 0 3 443.526 3.922 20 30 IHEDHN C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164964388 722061920 /nfs/dbraw/zinc/06/19/20/722061920.db2.gz GCVKAZFUPFQKDJ-UHFFFAOYSA-N 0 3 434.660 3.825 20 30 IHEDHN N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ccc(CN5CCCC5)cn4)C3)C2)c1 ZINC001165005040 722259231 /nfs/dbraw/zinc/25/92/31/722259231.db2.gz UEIGNQIAFOTWFI-SANMLTNESA-N 0 3 431.584 3.672 20 30 IHEDHN CN(C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4ccc(C#N)cc4)cc(c32)C1=O ZINC000028712247 563062877 /nfs/dbraw/zinc/06/28/77/563062877.db2.gz HNSCQLRUYJFMJQ-UHFFFAOYSA-N 0 3 427.464 3.513 20 30 IHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2)cc1 ZINC001164731517 720446022 /nfs/dbraw/zinc/44/60/22/720446022.db2.gz LJYCWFPOEHSHIK-LOSJGSFVSA-N 0 3 425.536 3.975 20 30 IHEDHN Cc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869673 721197656 /nfs/dbraw/zinc/19/76/56/721197656.db2.gz RMDSYSCBGCPYCC-RTBURBONSA-N 0 3 433.943 3.943 20 30 IHEDHN N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975222 722143406 /nfs/dbraw/zinc/14/34/06/722143406.db2.gz GBTMUNKXEIPCHE-IFMALSPDSA-N 0 3 431.565 3.804 20 30 IHEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963795 722054944 /nfs/dbraw/zinc/05/49/44/722054944.db2.gz LCVKEAUNYBAXJQ-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985584 722138111 /nfs/dbraw/zinc/13/81/11/722138111.db2.gz ZZSLXQXRWFMNRW-GCJKJVERSA-N 0 3 433.943 3.882 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953613 722015371 /nfs/dbraw/zinc/01/53/71/722015371.db2.gz VUILDZHQELPPPD-UHFFFAOYSA-N 0 3 432.981 3.548 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953613 722015373 /nfs/dbraw/zinc/01/53/73/722015373.db2.gz VUILDZHQELPPPD-UHFFFAOYSA-N 0 3 432.981 3.548 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979229 722102614 /nfs/dbraw/zinc/10/26/14/722102614.db2.gz HNGLIEIOPUBXST-RCZVLFRGSA-N 0 3 443.526 3.882 20 30 IHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2)cc1 ZINC001164731515 720446680 /nfs/dbraw/zinc/44/66/80/720446680.db2.gz LJYCWFPOEHSHIK-DQEYMECFSA-N 0 3 425.536 3.975 20 30 IHEDHN N#Cc1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164961162 722052141 /nfs/dbraw/zinc/05/21/41/722052141.db2.gz SZAACBIQFTVRIV-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN Cc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869667 721197724 /nfs/dbraw/zinc/19/77/24/721197724.db2.gz RMDSYSCBGCPYCC-MOPGFXCFSA-N 0 3 433.943 3.943 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792269 721492448 /nfs/dbraw/zinc/49/24/48/721492448.db2.gz MFMMHWQLFAURJP-UHFFFAOYSA-N 0 3 447.008 3.936 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792269 721492452 /nfs/dbraw/zinc/49/24/52/721492452.db2.gz MFMMHWQLFAURJP-UHFFFAOYSA-N 0 3 447.008 3.936 20 30 IHEDHN N#C[C@H](c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164911963 721542464 /nfs/dbraw/zinc/54/24/64/721542464.db2.gz XVCRMJRZRIETJX-CBQOVEMMSA-N 0 3 447.489 3.752 20 30 IHEDHN Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985457 722134378 /nfs/dbraw/zinc/13/43/78/722134378.db2.gz ZOOJZLYITSAJPC-DNQXCXABSA-N 0 3 434.660 3.741 20 30 IHEDHN CC1(C)CCCc2cc(C#N)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164975293 722156402 /nfs/dbraw/zinc/15/64/02/722156402.db2.gz RJTMPKWBVVRGNH-JTHBVZDNSA-N 0 3 431.584 3.689 20 30 IHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2)cc1 ZINC001164731516 720447015 /nfs/dbraw/zinc/44/70/15/720447015.db2.gz LJYCWFPOEHSHIK-JWQCQUIFSA-N 0 3 425.536 3.975 20 30 IHEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164764800 721250509 /nfs/dbraw/zinc/25/05/09/721250509.db2.gz QFUMZCAAVJPFNC-IAGOWNOFSA-N 0 3 438.938 3.899 20 30 IHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1 ZINC001164896903 721514623 /nfs/dbraw/zinc/51/46/23/721514623.db2.gz CBDRFYJYRSJVQO-NHTMILBNSA-N 0 3 443.526 3.922 20 30 IHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868835 721196969 /nfs/dbraw/zinc/19/69/69/721196969.db2.gz OCZVNHRCRFCOHL-MOPGFXCFSA-N 0 3 433.943 3.943 20 30 IHEDHN Cc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164869671 721197565 /nfs/dbraw/zinc/19/75/65/721197565.db2.gz RMDSYSCBGCPYCC-RBUKOAKNSA-N 0 3 433.943 3.943 20 30 IHEDHN N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869574 721190094 /nfs/dbraw/zinc/19/00/94/721190094.db2.gz QOKCLEZUZWGPAR-ZWKOTPCHSA-N 0 3 437.906 3.774 20 30 IHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985578 722138277 /nfs/dbraw/zinc/13/82/77/722138277.db2.gz ZZSLXQXRWFMNRW-AVRDEDQJSA-N 0 3 433.943 3.882 20 30 IHEDHN N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985586 722138420 /nfs/dbraw/zinc/13/84/20/722138420.db2.gz ZZSLXQXRWFMNRW-PGRDOPGGSA-N 0 3 433.943 3.882 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870900 721051790 /nfs/dbraw/zinc/05/17/90/721051790.db2.gz XERHDVDENSGJDK-PKTZIBPZSA-N 0 3 429.499 3.634 20 30 IHEDHN N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869570 721190612 /nfs/dbraw/zinc/19/06/12/721190612.db2.gz QOKCLEZUZWGPAR-QZTJIDSGSA-N 0 3 437.906 3.774 20 30 IHEDHN N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869545 721190743 /nfs/dbraw/zinc/19/07/43/721190743.db2.gz QOKCLEZUZWGPAR-MSOLQXFVSA-N 0 3 437.906 3.774 20 30 IHEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963863 722056602 /nfs/dbraw/zinc/05/66/02/722056602.db2.gz OSAYXDSCTGHIRH-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN CN(Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1)C1CC1 ZINC001165005615 722258943 /nfs/dbraw/zinc/25/89/43/722258943.db2.gz YNGKYPXMQSMWRR-AREMUKBSSA-N 0 3 431.584 3.671 20 30 IHEDHN N#Cc1ccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c(OC(F)F)c1 ZINC001473641482 1126198325 /nfs/dbraw/zinc/19/83/25/1126198325.db2.gz PGJAGPNQSJMFJT-FQEVSTJZSA-N 0 3 437.284 3.932 20 30 IHEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164764803 721250735 /nfs/dbraw/zinc/25/07/35/721250735.db2.gz QFUMZCAAVJPFNC-IRXDYDNUSA-N 0 3 438.938 3.899 20 30 IHEDHN Cc1c(Cl)c(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164978407 722106015 /nfs/dbraw/zinc/10/60/15/722106015.db2.gz GUKLDUBOBRJJAL-FUHWJXTLSA-N 0 3 432.355 3.691 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870899 721051931 /nfs/dbraw/zinc/05/19/31/721051931.db2.gz XERHDVDENSGJDK-GOTSBHOMSA-N 0 3 429.499 3.634 20 30 IHEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164764796 721250452 /nfs/dbraw/zinc/25/04/52/721250452.db2.gz QFUMZCAAVJPFNC-DLBZAZTESA-N 0 3 438.938 3.899 20 30 IHEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868840 721198137 /nfs/dbraw/zinc/19/81/37/721198137.db2.gz OCZVNHRCRFCOHL-RTBURBONSA-N 0 3 433.943 3.943 20 30 IHEDHN N#C[C@H](c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164911972 721542280 /nfs/dbraw/zinc/54/22/80/721542280.db2.gz XVCRMJRZRIETJX-VCOUNFBDSA-N 0 3 447.489 3.752 20 30 IHEDHN N#Cc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cnc1Cl ZINC001164962256 722056095 /nfs/dbraw/zinc/05/60/95/722056095.db2.gz BYBFUVKSNYNOME-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164978404 722106125 /nfs/dbraw/zinc/10/61/25/722106125.db2.gz GUKLDUBOBRJJAL-AEFFLSMTSA-N 0 3 432.355 3.691 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870897 721052205 /nfs/dbraw/zinc/05/22/05/721052205.db2.gz XERHDVDENSGJDK-DHIUTWEWSA-N 0 3 429.499 3.634 20 30 IHEDHN N#C[C@H](c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164911970 721542379 /nfs/dbraw/zinc/54/23/79/721542379.db2.gz XVCRMJRZRIETJX-UZKOGDIHSA-N 0 3 447.489 3.752 20 30 IHEDHN Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164985456 722134001 /nfs/dbraw/zinc/13/40/01/722134001.db2.gz ZOOJZLYITSAJPC-BJKOFHAPSA-N 0 3 434.660 3.741 20 30 IHEDHN N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975226 722143219 /nfs/dbraw/zinc/14/32/19/722143219.db2.gz GBTMUNKXEIPCHE-RBBKRZOGSA-N 0 3 431.565 3.804 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979222 722102422 /nfs/dbraw/zinc/10/24/22/722102422.db2.gz HNGLIEIOPUBXST-DHLKQENFSA-N 0 3 443.526 3.882 20 30 IHEDHN N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ncccc4CN4CCCC4)C3)C2)c1 ZINC001165005541 722259078 /nfs/dbraw/zinc/25/90/78/722259078.db2.gz XXBCTIJRQDZHAI-AREMUKBSSA-N 0 3 431.584 3.672 20 30 IHEDHN Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164978412 722106214 /nfs/dbraw/zinc/10/62/14/722106214.db2.gz GUKLDUBOBRJJAL-SJLPKXTDSA-N 0 3 432.355 3.691 20 30 IHEDHN CC1(C)CCCc2cc(C#N)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164975292 722156286 /nfs/dbraw/zinc/15/62/86/722156286.db2.gz RJTMPKWBVVRGNH-GMAHTHKFSA-N 0 3 431.584 3.689 20 30 IHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2)cc1 ZINC001164731518 720446395 /nfs/dbraw/zinc/44/63/95/720446395.db2.gz LJYCWFPOEHSHIK-RPBOFIJWSA-N 0 3 425.536 3.975 20 30 IHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1 ZINC001164896905 721514209 /nfs/dbraw/zinc/51/42/09/721514209.db2.gz CBDRFYJYRSJVQO-XWGVYQGASA-N 0 3 443.526 3.922 20 30 IHEDHN N#C[C@H](c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164911968 721542099 /nfs/dbraw/zinc/54/20/99/721542099.db2.gz XVCRMJRZRIETJX-DWLFOUALSA-N 0 3 447.489 3.752 20 30 IHEDHN N#Cc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc(Cl)n1 ZINC001164964170 722055508 /nfs/dbraw/zinc/05/55/08/722055508.db2.gz SFOXTEPXRARCMR-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN N#Cc1ccc(-c2cccs2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975229 722143062 /nfs/dbraw/zinc/14/30/62/722143062.db2.gz GBTMUNKXEIPCHE-UNMCSNQZSA-N 0 3 431.565 3.804 20 30 IHEDHN CC1(C)CCCc2cc(C#N)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164975291 722156055 /nfs/dbraw/zinc/15/60/55/722156055.db2.gz RJTMPKWBVVRGNH-GGAORHGYSA-N 0 3 431.584 3.689 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870901 721051292 /nfs/dbraw/zinc/05/12/92/721051292.db2.gz XERHDVDENSGJDK-XZOQPEGZSA-N 0 3 429.499 3.634 20 30 IHEDHN N#Cc1ccc(-c2cccs2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975224 722143125 /nfs/dbraw/zinc/14/31/25/722143125.db2.gz GBTMUNKXEIPCHE-IRLDBZIGSA-N 0 3 431.565 3.804 20 30 IHEDHN N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000000538198 557650754 /nfs/dbraw/zinc/65/07/54/557650754.db2.gz IHEHEFLXQFOQJO-UHFFFAOYSA-N 0 3 430.596 3.692 20 30 world IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026300 721806646 /nfs/dbraw/zinc/80/66/46/721806646.db2.gz QLWGSWXANMYKHW-BMGDILEWSA-N 0 3 447.008 3.792 20 30 IHEDHN CSc1nc(Cl)c(C=N[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026300 721806648 /nfs/dbraw/zinc/80/66/48/721806648.db2.gz QLWGSWXANMYKHW-BMGDILEWSA-N 0 3 447.008 3.792 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979232 722102560 /nfs/dbraw/zinc/10/25/60/722102560.db2.gz HNGLIEIOPUBXST-RDGATRHJSA-N 0 3 443.526 3.882 20 30 IHEDHN CN(Cc1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)nc1)C1CC1 ZINC001165005619 722259118 /nfs/dbraw/zinc/25/91/18/722259118.db2.gz YNGKYPXMQSMWRR-SANMLTNESA-N 0 3 431.584 3.671 20 30 IHEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164964482 722056573 /nfs/dbraw/zinc/05/65/73/722056573.db2.gz VCZJFJNFBNVPKL-UHFFFAOYSA-N 0 3 447.917 3.666 20 30 IHEDHN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979235 722102465 /nfs/dbraw/zinc/10/24/65/722102465.db2.gz HNGLIEIOPUBXST-WIOPSUGQSA-N 0 3 443.526 3.882 20 30 IHEDHN