smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000303887461 972427620 /nfs/dbraw/zinc/42/76/20/972427620.db2.gz OKCJZKJPAUKSJH-IBGZPJMESA-N 2 1 411.550 3.551 20 30 HHEDMP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000537841993 1013404164 /nfs/dbraw/zinc/40/41/64/1013404164.db2.gz QVACUKWARJOMFM-QGZVFWFLSA-N 2 1 409.534 3.729 20 30 HHEDMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469372 966158883 /nfs/dbraw/zinc/15/88/83/966158883.db2.gz UEUQBKVHGOEKFO-HXUWFJFHSA-N 2 1 404.558 3.853 20 30 HHEDMP CCc1cccc(NC(=[NH2+])NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000303975204 972561215 /nfs/dbraw/zinc/56/12/15/972561215.db2.gz IURMKZQOGVELNW-UHFFFAOYSA-N 2 1 410.562 3.665 20 30 HHEDMP Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000303975256 972561380 /nfs/dbraw/zinc/56/13/80/972561380.db2.gz IYLCQAPFTIGEKA-UHFFFAOYSA-N 2 1 410.562 3.720 20 30 HHEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000410374837 973971840 /nfs/dbraw/zinc/97/18/40/973971840.db2.gz OAGKCJIOJMUOSA-UHFFFAOYSA-N 2 1 421.589 3.672 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433108629 979076596 /nfs/dbraw/zinc/07/65/96/979076596.db2.gz AAMWLXFGXFJFKC-UHFFFAOYSA-N 2 1 402.542 3.875 20 30 HHEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126832 979087108 /nfs/dbraw/zinc/08/71/08/979087108.db2.gz DZPMRNOSVWURNZ-NRFANRHFSA-N 2 1 408.590 3.706 20 30 HHEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126833 979087512 /nfs/dbraw/zinc/08/75/12/979087512.db2.gz DZPMRNOSVWURNZ-OAQYLSRUSA-N 2 1 408.590 3.706 20 30 HHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433306732 979226685 /nfs/dbraw/zinc/22/66/85/979226685.db2.gz SWSDHHOGWWSPAA-UHFFFAOYSA-N 2 1 402.546 3.989 20 30 HHEDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433315900 979232181 /nfs/dbraw/zinc/23/21/81/979232181.db2.gz COSRHKABWLBSFN-UHFFFAOYSA-N 2 1 414.557 3.921 20 30 HHEDMP N#CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433324531 979237772 /nfs/dbraw/zinc/23/77/72/979237772.db2.gz BCGJUBWBRCSLCW-JOCHJYFZSA-N 2 1 414.557 3.513 20 30 HHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000433343603 979251299 /nfs/dbraw/zinc/25/12/99/979251299.db2.gz OKVAGMMNLLSDJP-UHFFFAOYSA-N 2 1 415.476 3.782 20 30 HHEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341507 982113822 /nfs/dbraw/zinc/11/38/22/982113822.db2.gz BVXRBXLEGYKBEW-IRXDYDNUSA-N 2 1 410.949 3.896 20 30 HHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000442689808 985160741 /nfs/dbraw/zinc/16/07/41/985160741.db2.gz UPEOYWFBNTVXCS-HXUWFJFHSA-N 2 1 404.558 3.579 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000444172402 986349898 /nfs/dbraw/zinc/34/98/98/986349898.db2.gz REQTVGGFQGLPRV-IRXDYDNUSA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)sc2C1 ZINC000444172402 986349907 /nfs/dbraw/zinc/34/99/07/986349907.db2.gz REQTVGGFQGLPRV-IRXDYDNUSA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@@H]3CCCC[N@H+]3C)sc2C1 ZINC000444172402 986349919 /nfs/dbraw/zinc/34/99/19/986349919.db2.gz REQTVGGFQGLPRV-IRXDYDNUSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464777487 989004314 /nfs/dbraw/zinc/00/43/14/989004314.db2.gz QBXSDLFAWSFAST-KRWDZBQOSA-N 2 1 402.608 3.881 20 30 HHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464777487 989004328 /nfs/dbraw/zinc/00/43/28/989004328.db2.gz QBXSDLFAWSFAST-KRWDZBQOSA-N 2 1 402.608 3.881 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983506 989048005 /nfs/dbraw/zinc/04/80/05/989048005.db2.gz OBFFNNQPAMUGLZ-SJLPKXTDSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983506 989048016 /nfs/dbraw/zinc/04/80/16/989048016.db2.gz OBFFNNQPAMUGLZ-SJLPKXTDSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983506 989048020 /nfs/dbraw/zinc/04/80/20/989048020.db2.gz OBFFNNQPAMUGLZ-SJLPKXTDSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)sc2C1 ZINC000470983506 989048033 /nfs/dbraw/zinc/04/80/33/989048033.db2.gz OBFFNNQPAMUGLZ-SJLPKXTDSA-N 2 1 414.619 3.737 20 30 HHEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844142 989093857 /nfs/dbraw/zinc/09/38/57/989093857.db2.gz DWLFIGPECJMESF-IBGZPJMESA-N 2 1 422.598 3.891 20 30 HHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844142 989093864 /nfs/dbraw/zinc/09/38/64/989093864.db2.gz DWLFIGPECJMESF-IBGZPJMESA-N 2 1 422.598 3.891 20 30 HHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844142 989093871 /nfs/dbraw/zinc/09/38/71/989093871.db2.gz DWLFIGPECJMESF-IBGZPJMESA-N 2 1 422.598 3.891 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476280641 996728530 /nfs/dbraw/zinc/72/85/30/996728530.db2.gz HYPOWVSOMYCZDO-UHFFFAOYSA-N 2 1 410.606 3.756 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332053 997747367 /nfs/dbraw/zinc/74/73/67/997747367.db2.gz PXHNKMBJQWLLAA-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000485332053 997747376 /nfs/dbraw/zinc/74/73/76/997747376.db2.gz PXHNKMBJQWLLAA-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000485332053 997747386 /nfs/dbraw/zinc/74/73/86/997747386.db2.gz PXHNKMBJQWLLAA-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501079884 1004185643 /nfs/dbraw/zinc/18/56/43/1004185643.db2.gz UQYQDTNDHYDVBY-UHFFFAOYSA-N 2 1 423.586 3.680 20 30 HHEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081995 1004186332 /nfs/dbraw/zinc/18/63/32/1004186332.db2.gz QHGHJIQCCDOXBX-HXUWFJFHSA-N 2 1 405.546 3.565 20 30 HHEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000501769355 1004706725 /nfs/dbraw/zinc/70/67/25/1004706725.db2.gz IDZXBOWYLIHHPW-KRWDZBQOSA-N 2 1 420.985 3.609 20 30 HHEDMP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000511471725 1005190724 /nfs/dbraw/zinc/19/07/24/1005190724.db2.gz CHQYZTPLGJWZKW-UHFFFAOYSA-N 2 1 416.569 3.891 20 30 HHEDMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000511471725 1005190726 /nfs/dbraw/zinc/19/07/26/1005190726.db2.gz CHQYZTPLGJWZKW-UHFFFAOYSA-N 2 1 416.569 3.891 20 30 HHEDMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000511471725 1005190729 /nfs/dbraw/zinc/19/07/29/1005190729.db2.gz CHQYZTPLGJWZKW-UHFFFAOYSA-N 2 1 416.569 3.891 20 30 HHEDMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000511471725 1005190731 /nfs/dbraw/zinc/19/07/31/1005190731.db2.gz CHQYZTPLGJWZKW-UHFFFAOYSA-N 2 1 416.569 3.891 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c(F)c1 ZINC000531970848 1006552799 /nfs/dbraw/zinc/55/27/99/1006552799.db2.gz VYQUIYAZAVZNTP-QHCPKHFHSA-N 2 1 406.549 3.963 20 30 HHEDMP Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000532486518 1006926612 /nfs/dbraw/zinc/92/66/12/1006926612.db2.gz XFLSNVZOMSZOJR-UHFFFAOYSA-N 2 1 421.589 3.627 20 30 HHEDMP C=C(C)COc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OC ZINC000518747424 1008412463 /nfs/dbraw/zinc/41/24/63/1008412463.db2.gz GRYNBQBEXIDXOM-HXUWFJFHSA-N 2 1 415.603 3.790 20 30 HHEDMP N#Cc1ccc(OC2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)nc1 ZINC000547312394 1010249140 /nfs/dbraw/zinc/24/91/40/1010249140.db2.gz MLESYEYOZUTYDC-UHFFFAOYSA-N 2 1 404.558 3.940 20 30 HHEDMP CCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000521589307 1010485822 /nfs/dbraw/zinc/48/58/22/1010485822.db2.gz XAVHENLRNDMSTA-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000521589307 1010485828 /nfs/dbraw/zinc/48/58/28/1010485828.db2.gz XAVHENLRNDMSTA-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000521589307 1010485836 /nfs/dbraw/zinc/48/58/36/1010485836.db2.gz XAVHENLRNDMSTA-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000521589307 1010485841 /nfs/dbraw/zinc/48/58/41/1010485841.db2.gz XAVHENLRNDMSTA-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523122976 1011588329 /nfs/dbraw/zinc/58/83/29/1011588329.db2.gz HJXXLQUUIMSGIV-DEOSSOPVSA-N 2 1 419.573 3.790 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043130 971472778 /nfs/dbraw/zinc/47/27/78/971472778.db2.gz SUENYBDRRDCBBV-PKTZIBPZSA-N 2 1 416.606 3.607 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043130 971472781 /nfs/dbraw/zinc/47/27/81/971472781.db2.gz SUENYBDRRDCBBV-PKTZIBPZSA-N 2 1 416.606 3.607 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565661 971859740 /nfs/dbraw/zinc/85/97/40/971859740.db2.gz INURLHVGXZQYLT-ACIOBRDBSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565661 971859745 /nfs/dbraw/zinc/85/97/45/971859745.db2.gz INURLHVGXZQYLT-ACIOBRDBSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565661 971859747 /nfs/dbraw/zinc/85/97/47/971859747.db2.gz INURLHVGXZQYLT-ACIOBRDBSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565661 971859752 /nfs/dbraw/zinc/85/97/52/971859752.db2.gz INURLHVGXZQYLT-ACIOBRDBSA-N 2 1 416.606 3.750 20 30 HHEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000303576343 971868615 /nfs/dbraw/zinc/86/86/15/971868615.db2.gz PYNSPPWCCCFSDM-UHFFFAOYSA-N 2 1 402.608 3.881 20 30 HHEDMP CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000303887464 972427957 /nfs/dbraw/zinc/42/79/57/972427957.db2.gz OKCJZKJPAUKSJH-LJQANCHMSA-N 2 1 411.550 3.551 20 30 HHEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)cc2)CC1 ZINC000303890778 972430364 /nfs/dbraw/zinc/43/03/64/972430364.db2.gz MPDQSDKQWYUXFI-UHFFFAOYSA-N 2 1 409.578 3.538 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531727 1013475122 /nfs/dbraw/zinc/47/51/22/1013475122.db2.gz KTHZKXWAAPDUAA-PMACEKPBSA-N 2 1 412.578 3.575 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000542531727 1013475127 /nfs/dbraw/zinc/47/51/27/1013475127.db2.gz KTHZKXWAAPDUAA-PMACEKPBSA-N 2 1 412.578 3.575 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531734 1013475190 /nfs/dbraw/zinc/47/51/90/1013475190.db2.gz KTHZKXWAAPDUAA-VQTJNVASSA-N 2 1 412.578 3.575 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000542531734 1013475195 /nfs/dbraw/zinc/47/51/95/1013475195.db2.gz KTHZKXWAAPDUAA-VQTJNVASSA-N 2 1 412.578 3.575 20 30 HHEDMP C[C@H](NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835872 972615091 /nfs/dbraw/zinc/61/50/91/972615091.db2.gz WSTYWRJMZUEKMN-KSSFIOAISA-N 2 1 421.372 3.726 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463193877 986165901 /nfs/dbraw/zinc/16/59/01/986165901.db2.gz PSLGKIQCOLHDJJ-GNPXQVHSSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463193877 986165909 /nfs/dbraw/zinc/16/59/09/986165909.db2.gz PSLGKIQCOLHDJJ-GNPXQVHSSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463193877 986165912 /nfs/dbraw/zinc/16/59/12/986165912.db2.gz PSLGKIQCOLHDJJ-GNPXQVHSSA-N 2 1 416.650 3.801 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000444213094 986396211 /nfs/dbraw/zinc/39/62/11/986396211.db2.gz OUEYWHOSHZOSDO-KRWDZBQOSA-N 2 1 400.592 3.635 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000444213094 986396225 /nfs/dbraw/zinc/39/62/25/986396225.db2.gz OUEYWHOSHZOSDO-KRWDZBQOSA-N 2 1 400.592 3.635 20 30 HHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224182 989367235 /nfs/dbraw/zinc/36/72/35/989367235.db2.gz YALZOUVUMUQYJD-QFBILLFUSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224182 989367240 /nfs/dbraw/zinc/36/72/40/989367240.db2.gz YALZOUVUMUQYJD-QFBILLFUSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224182 989367244 /nfs/dbraw/zinc/36/72/44/989367244.db2.gz YALZOUVUMUQYJD-QFBILLFUSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224181 989367330 /nfs/dbraw/zinc/36/73/30/989367330.db2.gz YALZOUVUMUQYJD-LPHOPBHVSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224181 989367338 /nfs/dbraw/zinc/36/73/38/989367338.db2.gz YALZOUVUMUQYJD-LPHOPBHVSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224181 989367345 /nfs/dbraw/zinc/36/73/45/989367345.db2.gz YALZOUVUMUQYJD-LPHOPBHVSA-N 2 1 402.608 3.879 20 30 HHEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000481069261 993909522 /nfs/dbraw/zinc/90/95/22/993909522.db2.gz FMDGEIWJMNBLKJ-UHFFFAOYSA-N 2 1 408.384 3.891 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351932 997773791 /nfs/dbraw/zinc/77/37/91/997773791.db2.gz SKLLOKFPUHKQSX-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485351932 997773802 /nfs/dbraw/zinc/77/38/02/997773802.db2.gz SKLLOKFPUHKQSX-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485351932 997773815 /nfs/dbraw/zinc/77/38/15/997773815.db2.gz SKLLOKFPUHKQSX-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000489183745 999718039 /nfs/dbraw/zinc/71/80/39/999718039.db2.gz JMOXJTUSDSFQOD-VWLOTQADSA-N 2 1 416.569 3.898 20 30 HHEDMP C=CCOc1ccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)(C)C)cc1 ZINC000506050793 1001191461 /nfs/dbraw/zinc/19/14/61/1001191461.db2.gz GEAZBKGPHXEOPZ-UHFFFAOYSA-N 2 1 409.578 3.594 20 30 HHEDMP C=CCOc1ccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)(C)C)cc1 ZINC000506050793 1001191466 /nfs/dbraw/zinc/19/14/66/1001191466.db2.gz GEAZBKGPHXEOPZ-UHFFFAOYSA-N 2 1 409.578 3.594 20 30 HHEDMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621232 1001461462 /nfs/dbraw/zinc/46/14/62/1001461462.db2.gz UEUQBKVHGOEKFO-FQEVSTJZSA-N 2 1 404.558 3.853 20 30 HHEDMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620492 1001461502 /nfs/dbraw/zinc/46/15/02/1001461502.db2.gz OHSDWRIGGZOZMB-QFIPXVFZSA-N 2 1 418.585 3.984 20 30 HHEDMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620492 1001461504 /nfs/dbraw/zinc/46/15/04/1001461504.db2.gz OHSDWRIGGZOZMB-QFIPXVFZSA-N 2 1 418.585 3.984 20 30 HHEDMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620492 1001461507 /nfs/dbraw/zinc/46/15/07/1001461507.db2.gz OHSDWRIGGZOZMB-QFIPXVFZSA-N 2 1 418.585 3.984 20 30 HHEDMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620492 1001461510 /nfs/dbraw/zinc/46/15/10/1001461510.db2.gz OHSDWRIGGZOZMB-QFIPXVFZSA-N 2 1 418.585 3.984 20 30 HHEDMP Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000501780222 1004720076 /nfs/dbraw/zinc/72/00/76/1004720076.db2.gz YBRWJXPUHVWDLM-UHFFFAOYSA-N 2 1 421.589 3.958 20 30 HHEDMP Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1Cl ZINC000532098419 1006633093 /nfs/dbraw/zinc/63/30/93/1006633093.db2.gz FSKMVXIZOWYYBI-UHFFFAOYSA-N 2 1 404.986 3.947 20 30 HHEDMP Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1Cl ZINC000532098419 1006633097 /nfs/dbraw/zinc/63/30/97/1006633097.db2.gz FSKMVXIZOWYYBI-UHFFFAOYSA-N 2 1 404.986 3.947 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959076 1007004789 /nfs/dbraw/zinc/00/47/89/1007004789.db2.gz APAJDHTUSLINDE-LAUBAEHRSA-N 2 1 422.976 3.812 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517983955 1008086790 /nfs/dbraw/zinc/08/67/90/1008086790.db2.gz FMNBKXFBJWTRIX-OAQYLSRUSA-N 2 1 409.496 3.598 20 30 HHEDMP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860022 1009037497 /nfs/dbraw/zinc/03/74/97/1009037497.db2.gz RKYOYPGJTNKWKP-RPWUZVMVSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860022 1009037504 /nfs/dbraw/zinc/03/75/04/1009037504.db2.gz RKYOYPGJTNKWKP-RPWUZVMVSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860022 1009037518 /nfs/dbraw/zinc/03/75/18/1009037518.db2.gz RKYOYPGJTNKWKP-RPWUZVMVSA-N 2 1 411.553 3.913 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541599872 1012393179 /nfs/dbraw/zinc/39/31/79/1012393179.db2.gz RJYJDTRKWWCASI-GBESFXJTSA-N 2 1 400.542 3.703 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541599872 1012393192 /nfs/dbraw/zinc/39/31/92/1012393192.db2.gz RJYJDTRKWWCASI-GBESFXJTSA-N 2 1 400.542 3.703 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541599596 1012394395 /nfs/dbraw/zinc/39/43/95/1012394395.db2.gz KMOWWZFJTQRJTM-HRCADAONSA-N 2 1 400.592 3.678 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541599596 1012394403 /nfs/dbraw/zinc/39/44/03/1012394403.db2.gz KMOWWZFJTQRJTM-HRCADAONSA-N 2 1 400.592 3.678 20 30 HHEDMP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)c2)c1 ZINC000303659740 971938514 /nfs/dbraw/zinc/93/85/14/971938514.db2.gz ATMMSTHCLSWPEE-HSZRJFAPSA-N 2 1 405.542 3.728 20 30 HHEDMP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000303780744 972024070 /nfs/dbraw/zinc/02/40/70/972024070.db2.gz LOKYAUCZKKDNCC-LJQANCHMSA-N 2 1 402.926 3.921 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000057140188 965307263 /nfs/dbraw/zinc/30/72/63/965307263.db2.gz VIPBEZHQHVCWTI-UHFFFAOYSA-N 2 1 416.569 3.505 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000057140188 965307272 /nfs/dbraw/zinc/30/72/72/965307272.db2.gz VIPBEZHQHVCWTI-UHFFFAOYSA-N 2 1 416.569 3.505 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710288 972613079 /nfs/dbraw/zinc/61/30/79/972613079.db2.gz XIIBTPKWQXIODP-VLIAUNLRSA-N 2 1 420.916 3.916 20 30 HHEDMP N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433118716 979081784 /nfs/dbraw/zinc/08/17/84/979081784.db2.gz YPDWGBSDYYCKJZ-OAQYLSRUSA-N 2 1 420.582 3.713 20 30 HHEDMP N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433118716 979081791 /nfs/dbraw/zinc/08/17/91/979081791.db2.gz YPDWGBSDYYCKJZ-OAQYLSRUSA-N 2 1 420.582 3.713 20 30 HHEDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870148 980459034 /nfs/dbraw/zinc/45/90/34/980459034.db2.gz PJQYFTLOVIFMGY-UTKZUKDTSA-N 2 1 408.571 3.747 20 30 HHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870148 980459037 /nfs/dbraw/zinc/45/90/37/980459037.db2.gz PJQYFTLOVIFMGY-UTKZUKDTSA-N 2 1 408.571 3.747 20 30 HHEDMP N#Cc1ccsc1N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000434870830 980459899 /nfs/dbraw/zinc/45/98/99/980459899.db2.gz UHZOKMZLBXLERX-NRFANRHFSA-N 2 1 408.571 3.891 20 30 HHEDMP CN(c1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000434985090 980550091 /nfs/dbraw/zinc/55/00/91/980550091.db2.gz FYEBOQJJGNEPPQ-AREMUKBSSA-N 2 1 417.601 3.599 20 30 HHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439612530 983471134 /nfs/dbraw/zinc/47/11/34/983471134.db2.gz SJQXZOXBXTXNQT-DEOSSOPVSA-N 2 1 414.509 3.678 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)sc2c1CCC2 ZINC000471004554 989072397 /nfs/dbraw/zinc/07/23/97/989072397.db2.gz CVXHPPOJRNZIOT-KDURUIRLSA-N 2 1 420.582 3.501 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)sc2c1CCC2 ZINC000471004554 989072406 /nfs/dbraw/zinc/07/24/06/989072406.db2.gz CVXHPPOJRNZIOT-KDURUIRLSA-N 2 1 420.582 3.501 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sc2c1CCC2 ZINC000471004554 989072414 /nfs/dbraw/zinc/07/24/14/989072414.db2.gz CVXHPPOJRNZIOT-KDURUIRLSA-N 2 1 420.582 3.501 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)sc2c1CCC2 ZINC000471004554 989072425 /nfs/dbraw/zinc/07/24/25/989072425.db2.gz CVXHPPOJRNZIOT-KDURUIRLSA-N 2 1 420.582 3.501 20 30 HHEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481913232 994786137 /nfs/dbraw/zinc/78/61/37/994786137.db2.gz DLYXREFBNOTUJH-XMMPIXPASA-N 2 1 402.542 3.503 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492035 996215282 /nfs/dbraw/zinc/21/52/82/996215282.db2.gz NTLKSURGNHHMDE-NHCUHLMSSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492035 996215284 /nfs/dbraw/zinc/21/52/84/996215284.db2.gz NTLKSURGNHHMDE-NHCUHLMSSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492035 996215288 /nfs/dbraw/zinc/21/52/88/996215288.db2.gz NTLKSURGNHHMDE-NHCUHLMSSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483492035 996215292 /nfs/dbraw/zinc/21/52/92/996215292.db2.gz NTLKSURGNHHMDE-NHCUHLMSSA-N 2 1 408.571 3.935 20 30 HHEDMP N#CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000479282140 999363538 /nfs/dbraw/zinc/36/35/38/999363538.db2.gz KPRVHYLWBHGTBB-DEOSSOPVSA-N 2 1 416.569 3.573 20 30 HHEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@@H](C)O1 ZINC000480679244 999857300 /nfs/dbraw/zinc/85/73/00/999857300.db2.gz LXPBIPVKFZVNET-HZPDHXFCSA-N 2 1 406.368 3.642 20 30 HHEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501046175 1004147537 /nfs/dbraw/zinc/14/75/37/1004147537.db2.gz LLYPTLGDNPPQEU-HXUWFJFHSA-N 2 1 416.367 3.617 20 30 HHEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501775981 1004714909 /nfs/dbraw/zinc/71/49/09/1004714909.db2.gz QQDQMTOAZLLMSK-GOSISDBHSA-N 2 1 402.608 3.931 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959077 1007005018 /nfs/dbraw/zinc/00/50/18/1007005018.db2.gz APAJDHTUSLINDE-UTKZUKDTSA-N 2 1 422.976 3.812 20 30 HHEDMP Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C#N ZINC000533272103 1007585969 /nfs/dbraw/zinc/58/59/69/1007585969.db2.gz HFIYWKSNXMOYGT-UHFFFAOYSA-N 2 1 421.589 3.957 20 30 HHEDMP Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C#N ZINC000533272103 1007585974 /nfs/dbraw/zinc/58/59/74/1007585974.db2.gz HFIYWKSNXMOYGT-UHFFFAOYSA-N 2 1 421.589 3.957 20 30 HHEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945756 1008531395 /nfs/dbraw/zinc/53/13/95/1008531395.db2.gz DWJPJKWBOLAYEV-GBXCKJPGSA-N 2 1 407.558 3.514 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458903 1009042710 /nfs/dbraw/zinc/04/27/10/1009042710.db2.gz JKQSSUPFKLFMCV-UFYCRDLUSA-N 2 1 412.578 3.573 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458903 1009042726 /nfs/dbraw/zinc/04/27/26/1009042726.db2.gz JKQSSUPFKLFMCV-UFYCRDLUSA-N 2 1 412.578 3.573 20 30 HHEDMP N#Cc1ccc(N2CC[C@H]([NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)C2=O)cc1 ZINC000551589780 1010681686 /nfs/dbraw/zinc/68/16/86/1010681686.db2.gz JBZXSVGIROZRGU-DEOSSOPVSA-N 2 1 414.553 3.652 20 30 HHEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000524147633 1012934807 /nfs/dbraw/zinc/93/48/07/1012934807.db2.gz PHQNFVMMGDNTTI-UHFFFAOYSA-N 2 1 413.481 3.750 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587309907 1072568363 /nfs/dbraw/zinc/56/83/63/1072568363.db2.gz ZUAKKQHGRGTDMN-UAFMIMERSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000587309907 1072568370 /nfs/dbraw/zinc/56/83/70/1072568370.db2.gz ZUAKKQHGRGTDMN-UAFMIMERSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587309907 1072568378 /nfs/dbraw/zinc/56/83/78/1072568378.db2.gz ZUAKKQHGRGTDMN-UAFMIMERSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000554970679 1073025980 /nfs/dbraw/zinc/02/59/80/1073025980.db2.gz BNDCGSWKIQFIRU-FQEVSTJZSA-N 2 1 403.448 3.824 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1OC ZINC000303786256 972027017 /nfs/dbraw/zinc/02/70/17/972027017.db2.gz RCPQFBPHOOZLIB-GOSISDBHSA-N 2 1 410.562 3.683 20 30 HHEDMP CC[NH+]1CCN(C[C@H](C)C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303905475 972475711 /nfs/dbraw/zinc/47/57/11/972475711.db2.gz ZLHDOCGHCVAAHZ-JOCHJYFZSA-N 2 1 407.606 3.826 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000029985964 965583965 /nfs/dbraw/zinc/58/39/65/965583965.db2.gz MXUCJIQNXLUJSG-UHFFFAOYSA-N 2 1 416.569 3.892 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000029985964 965583975 /nfs/dbraw/zinc/58/39/75/965583975.db2.gz MXUCJIQNXLUJSG-UHFFFAOYSA-N 2 1 416.569 3.892 20 30 HHEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000237165275 970234181 /nfs/dbraw/zinc/23/41/81/970234181.db2.gz ATEFHNBKUOFIFT-UHFFFAOYSA-N 2 1 406.574 3.500 20 30 HHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@@H]1c1cccs1 ZINC000304793213 972606707 /nfs/dbraw/zinc/60/67/07/972606707.db2.gz LLWQPMMLELDHBE-FOIQADDNSA-N 2 1 400.548 3.719 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(SCC#N)c1 ZINC000430669456 977681099 /nfs/dbraw/zinc/68/10/99/977681099.db2.gz KVQMDIDWZJXTLJ-UHFFFAOYSA-N 2 1 414.619 3.571 20 30 HHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180807 979124359 /nfs/dbraw/zinc/12/43/59/979124359.db2.gz YVGLPHSKATWYID-HXUWFJFHSA-N 2 1 402.542 3.873 20 30 HHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180807 979124364 /nfs/dbraw/zinc/12/43/64/979124364.db2.gz YVGLPHSKATWYID-HXUWFJFHSA-N 2 1 402.542 3.873 20 30 HHEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433324532 979237663 /nfs/dbraw/zinc/23/76/63/979237663.db2.gz BCGJUBWBRCSLCW-QFIPXVFZSA-N 2 1 414.557 3.513 20 30 HHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434861499 980454724 /nfs/dbraw/zinc/45/47/24/980454724.db2.gz NQYMSNSIAMDFNU-OAQYLSRUSA-N 2 1 420.538 3.740 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471014274 989083791 /nfs/dbraw/zinc/08/37/91/989083791.db2.gz IVEXMZOXBJFGAT-BGYRXZFFSA-N 2 1 408.933 3.604 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471014274 989083797 /nfs/dbraw/zinc/08/37/97/989083797.db2.gz IVEXMZOXBJFGAT-BGYRXZFFSA-N 2 1 408.933 3.604 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471014274 989083805 /nfs/dbraw/zinc/08/38/05/989083805.db2.gz IVEXMZOXBJFGAT-BGYRXZFFSA-N 2 1 408.933 3.604 20 30 HHEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030850 989102619 /nfs/dbraw/zinc/10/26/19/989102619.db2.gz VUAWJSGHAGILBU-KRWDZBQOSA-N 2 1 402.608 3.881 20 30 HHEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030850 989102622 /nfs/dbraw/zinc/10/26/22/989102622.db2.gz VUAWJSGHAGILBU-KRWDZBQOSA-N 2 1 402.608 3.881 20 30 HHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030850 989102625 /nfs/dbraw/zinc/10/26/25/989102625.db2.gz VUAWJSGHAGILBU-KRWDZBQOSA-N 2 1 402.608 3.881 20 30 HHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030850 989102629 /nfs/dbraw/zinc/10/26/29/989102629.db2.gz VUAWJSGHAGILBU-KRWDZBQOSA-N 2 1 402.608 3.881 20 30 HHEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488293 996213146 /nfs/dbraw/zinc/21/31/46/996213146.db2.gz JBFCBNINKDDCFX-LPHOPBHVSA-N 2 1 400.592 3.633 20 30 HHEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488293 996213152 /nfs/dbraw/zinc/21/31/52/996213152.db2.gz JBFCBNINKDDCFX-LPHOPBHVSA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488293 996213158 /nfs/dbraw/zinc/21/31/58/996213158.db2.gz JBFCBNINKDDCFX-LPHOPBHVSA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488293 996213164 /nfs/dbraw/zinc/21/31/64/996213164.db2.gz JBFCBNINKDDCFX-LPHOPBHVSA-N 2 1 400.592 3.633 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475743151 996342482 /nfs/dbraw/zinc/34/24/82/996342482.db2.gz DXFZBVDTTBTDGO-HSZRJFAPSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475743151 996342485 /nfs/dbraw/zinc/34/24/85/996342485.db2.gz DXFZBVDTTBTDGO-HSZRJFAPSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475743151 996342491 /nfs/dbraw/zinc/34/24/91/996342491.db2.gz DXFZBVDTTBTDGO-HSZRJFAPSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475743151 996342495 /nfs/dbraw/zinc/34/24/95/996342495.db2.gz DXFZBVDTTBTDGO-HSZRJFAPSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351941 997773380 /nfs/dbraw/zinc/77/33/80/997773380.db2.gz SKLLOKFPUHKQSX-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485351941 997773393 /nfs/dbraw/zinc/77/33/93/997773393.db2.gz SKLLOKFPUHKQSX-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485351941 997773398 /nfs/dbraw/zinc/77/33/98/997773398.db2.gz SKLLOKFPUHKQSX-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351938 997773860 /nfs/dbraw/zinc/77/38/60/997773860.db2.gz SKLLOKFPUHKQSX-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485351938 997773870 /nfs/dbraw/zinc/77/38/70/997773870.db2.gz SKLLOKFPUHKQSX-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485351938 997773881 /nfs/dbraw/zinc/77/38/81/997773881.db2.gz SKLLOKFPUHKQSX-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000479514451 999453997 /nfs/dbraw/zinc/45/39/97/999453997.db2.gz ORDKENWMIUSEMA-NRFANRHFSA-N 2 1 408.571 3.747 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965324 1007016760 /nfs/dbraw/zinc/01/67/60/1007016760.db2.gz QTAPBXWRAZOZAP-UHFFFAOYSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000533289577 1007602630 /nfs/dbraw/zinc/60/26/30/1007602630.db2.gz QZVDKUJBVMXKBV-QGZVFWFLSA-N 2 1 400.592 3.777 20 30 HHEDMP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000533289577 1007602633 /nfs/dbraw/zinc/60/26/33/1007602633.db2.gz QZVDKUJBVMXKBV-QGZVFWFLSA-N 2 1 400.592 3.777 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000540597985 1011252921 /nfs/dbraw/zinc/25/29/21/1011252921.db2.gz ZZKMFWXGGHVMFV-NRFANRHFSA-N 2 1 418.585 3.533 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000540597985 1011252936 /nfs/dbraw/zinc/25/29/36/1011252936.db2.gz ZZKMFWXGGHVMFV-NRFANRHFSA-N 2 1 418.585 3.533 20 30 HHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863713 1072922299 /nfs/dbraw/zinc/92/22/99/1072922299.db2.gz VVNXIMGNNTUGTC-YKSBVNFPSA-N 2 1 407.558 3.657 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000592490212 1074769357 /nfs/dbraw/zinc/76/93/57/1074769357.db2.gz FJUCXIULGNOBPC-JOCHJYFZSA-N 2 1 424.614 3.797 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000592490212 1074769365 /nfs/dbraw/zinc/76/93/65/1074769365.db2.gz FJUCXIULGNOBPC-JOCHJYFZSA-N 2 1 424.614 3.797 20 30 HHEDMP COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000303780742 972023807 /nfs/dbraw/zinc/02/38/07/972023807.db2.gz LOKYAUCZKKDNCC-IBGZPJMESA-N 2 1 402.926 3.921 20 30 HHEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)[NH+]2CCCCC2)cc1 ZINC000303792111 972031043 /nfs/dbraw/zinc/03/10/43/972031043.db2.gz YCKJTFKVEINSON-OAQYLSRUSA-N 2 1 412.534 3.666 20 30 HHEDMP CC[NH+]1CCN(CCCC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303883958 972424744 /nfs/dbraw/zinc/42/47/44/972424744.db2.gz IXTTXXQBOZWIEY-UHFFFAOYSA-N 2 1 407.606 3.970 20 30 HHEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000304513775 972602533 /nfs/dbraw/zinc/60/25/33/972602533.db2.gz YADFHGIUXZJVRV-LEWJYISDSA-N 2 1 408.546 3.650 20 30 HHEDMP COc1ccc([C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000304515191 972602989 /nfs/dbraw/zinc/60/29/89/972602989.db2.gz YOYZGJNKRVAZRU-FGZHOGPDSA-N 2 1 408.546 3.650 20 30 HHEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000305199119 972610460 /nfs/dbraw/zinc/61/04/60/972610460.db2.gz FDECZUBZINUBGB-QGZVFWFLSA-N 2 1 406.452 3.876 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706729 972613514 /nfs/dbraw/zinc/61/35/14/972613514.db2.gz WGDQBTIBUAOPKS-UTKZUKDTSA-N 2 1 418.944 3.628 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(C(F)(F)F)ccc1C#N ZINC000431837251 978545716 /nfs/dbraw/zinc/54/57/16/978545716.db2.gz VZDWPDPMSPSXOY-UHFFFAOYSA-N 2 1 409.500 3.605 20 30 HHEDMP N#CCCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccncc2)n1 ZINC000435137477 980668763 /nfs/dbraw/zinc/66/87/63/980668763.db2.gz MINJGBREZDCFIG-NRFANRHFSA-N 2 1 406.578 3.947 20 30 HHEDMP N#CCCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccncc2)n1 ZINC000435137477 980668765 /nfs/dbraw/zinc/66/87/65/980668765.db2.gz MINJGBREZDCFIG-NRFANRHFSA-N 2 1 406.578 3.947 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463193879 986165625 /nfs/dbraw/zinc/16/56/25/986165625.db2.gz PSLGKIQCOLHDJJ-WQFLLUORSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463193879 986165628 /nfs/dbraw/zinc/16/56/28/986165628.db2.gz PSLGKIQCOLHDJJ-WQFLLUORSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463193879 986165635 /nfs/dbraw/zinc/16/56/35/986165635.db2.gz PSLGKIQCOLHDJJ-WQFLLUORSA-N 2 1 416.650 3.801 20 30 HHEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492696215 1000139625 /nfs/dbraw/zinc/13/96/25/1000139625.db2.gz MVJFQUIOBFVLAM-IYBDPMFKSA-N 2 1 406.368 3.642 20 30 HHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492696215 1000139626 /nfs/dbraw/zinc/13/96/26/1000139626.db2.gz MVJFQUIOBFVLAM-IYBDPMFKSA-N 2 1 406.368 3.642 20 30 HHEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2cccs2)CC1 ZINC000515017930 1006252751 /nfs/dbraw/zinc/25/27/51/1006252751.db2.gz AIRPAAOKCAYOIM-SFHVURJKSA-N 2 1 408.493 3.717 20 30 HHEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000538393564 1006663025 /nfs/dbraw/zinc/66/30/25/1006663025.db2.gz OSJRQIWIYFABAZ-VWLOTQADSA-N 2 1 402.586 3.677 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959078 1007004497 /nfs/dbraw/zinc/00/44/97/1007004497.db2.gz APAJDHTUSLINDE-UWJYYQICSA-N 2 1 422.976 3.812 20 30 HHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000538946996 1007232366 /nfs/dbraw/zinc/23/23/66/1007232366.db2.gz OBRHULUWDFIBAA-UHFFFAOYSA-N 2 1 411.937 3.784 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539824141 1008117843 /nfs/dbraw/zinc/11/78/43/1008117843.db2.gz YNQMYMYODATODE-QFQXNSOFSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539824141 1008117850 /nfs/dbraw/zinc/11/78/50/1008117850.db2.gz YNQMYMYODATODE-QFQXNSOFSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043495 1008252993 /nfs/dbraw/zinc/25/29/93/1008252993.db2.gz ADMVYCGUJADYIG-OAQYLSRUSA-N 2 1 419.573 3.955 20 30 HHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000540046135 1008255838 /nfs/dbraw/zinc/25/58/38/1008255838.db2.gz VRIOLNFAIMQGAX-UHFFFAOYSA-N 2 1 405.546 3.567 20 30 HHEDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1)CC1CC1 ZINC000540050464 1008259280 /nfs/dbraw/zinc/25/92/80/1008259280.db2.gz SAPAAKUAELOKBH-UHFFFAOYSA-N 2 1 402.970 3.984 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1)CC1CC1 ZINC000540050464 1008259286 /nfs/dbraw/zinc/25/92/86/1008259286.db2.gz SAPAAKUAELOKBH-UHFFFAOYSA-N 2 1 402.970 3.984 20 30 HHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000303793880 972031603 /nfs/dbraw/zinc/03/16/03/972031603.db2.gz ZXOMMFCMDZFZKR-DEOSSOPVSA-N 2 1 407.606 3.825 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000303887050 972427818 /nfs/dbraw/zinc/42/78/18/972427818.db2.gz KSPHWDNJAKKXIB-GOSISDBHSA-N 2 1 410.562 3.540 20 30 HHEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140190 965307565 /nfs/dbraw/zinc/30/75/65/965307565.db2.gz QSYORULOJCPVNQ-VWLOTQADSA-N 2 1 416.569 3.505 20 30 HHEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140190 965307581 /nfs/dbraw/zinc/30/75/81/965307581.db2.gz QSYORULOJCPVNQ-VWLOTQADSA-N 2 1 416.569 3.505 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140190 965307590 /nfs/dbraw/zinc/30/75/90/965307590.db2.gz QSYORULOJCPVNQ-VWLOTQADSA-N 2 1 416.569 3.505 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140190 965307603 /nfs/dbraw/zinc/30/76/03/965307603.db2.gz QSYORULOJCPVNQ-VWLOTQADSA-N 2 1 416.569 3.505 20 30 HHEDMP CN(CCC#N)c1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030904599 965828760 /nfs/dbraw/zinc/82/87/60/965828760.db2.gz PCMLLMMYVGDRIS-RUZDIDTESA-N 2 1 405.590 3.505 20 30 HHEDMP C[C@@H](NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835868 972614904 /nfs/dbraw/zinc/61/49/04/972614904.db2.gz WSTYWRJMZUEKMN-KDOFPFPSSA-N 2 1 421.372 3.726 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433075347 979060100 /nfs/dbraw/zinc/06/01/00/979060100.db2.gz GYHNTFYUDVBJGI-UHFFFAOYSA-N 2 1 408.571 3.936 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866872 980457579 /nfs/dbraw/zinc/45/75/79/980457579.db2.gz FAYZTZDBKUJYJK-SVMVAKDDSA-N 2 1 422.598 3.993 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866872 980457581 /nfs/dbraw/zinc/45/75/81/980457581.db2.gz FAYZTZDBKUJYJK-SVMVAKDDSA-N 2 1 422.598 3.993 20 30 HHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C#N)cc3OC(F)F)CC2)CC1 ZINC000437646980 982265983 /nfs/dbraw/zinc/26/59/83/982265983.db2.gz BHLSRBCSSKSSFD-UHFFFAOYSA-N 2 1 420.548 3.788 20 30 HHEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000437676292 982290192 /nfs/dbraw/zinc/29/01/92/982290192.db2.gz AFUYUCCKNJYZBK-UHFFFAOYSA-N 2 1 404.558 3.576 20 30 HHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598794 983465953 /nfs/dbraw/zinc/46/59/53/983465953.db2.gz SXXLGHHVNHRXAG-IBGZPJMESA-N 2 1 408.546 3.732 20 30 HHEDMP C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000444688532 986866442 /nfs/dbraw/zinc/86/64/42/986866442.db2.gz ZOIGLELKYYFIGP-HSZRJFAPSA-N 2 1 416.613 3.987 20 30 HHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471218493 989361619 /nfs/dbraw/zinc/36/16/19/989361619.db2.gz CDLUAELEWAEFCL-HXUWFJFHSA-N 2 1 404.558 3.579 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482467169 995470862 /nfs/dbraw/zinc/47/08/62/995470862.db2.gz GZYLKDZTFYZQBZ-VWNXMTODSA-N 2 1 410.606 3.723 20 30 HHEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488265 996213387 /nfs/dbraw/zinc/21/33/87/996213387.db2.gz JBFCBNINKDDCFX-APWZRJJASA-N 2 1 400.592 3.633 20 30 HHEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488265 996213392 /nfs/dbraw/zinc/21/33/92/996213392.db2.gz JBFCBNINKDDCFX-APWZRJJASA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488265 996213399 /nfs/dbraw/zinc/21/33/99/996213399.db2.gz JBFCBNINKDDCFX-APWZRJJASA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488265 996213406 /nfs/dbraw/zinc/21/34/06/996213406.db2.gz JBFCBNINKDDCFX-APWZRJJASA-N 2 1 400.592 3.633 20 30 HHEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000486580833 998839391 /nfs/dbraw/zinc/83/93/91/998839391.db2.gz PZUHKOFAXLGHMO-JOCHJYFZSA-N 2 1 420.557 3.839 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969437 999022071 /nfs/dbraw/zinc/02/20/71/999022071.db2.gz HJMIXMYVZQBDQI-FGZHOGPDSA-N 2 1 420.548 3.828 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969437 999022077 /nfs/dbraw/zinc/02/20/77/999022077.db2.gz HJMIXMYVZQBDQI-FGZHOGPDSA-N 2 1 420.548 3.828 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969441 999022304 /nfs/dbraw/zinc/02/23/04/999022304.db2.gz HJMIXMYVZQBDQI-VXKWHMMOSA-N 2 1 420.548 3.828 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969441 999022309 /nfs/dbraw/zinc/02/23/09/999022309.db2.gz HJMIXMYVZQBDQI-VXKWHMMOSA-N 2 1 420.548 3.828 20 30 HHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492853484 1000146967 /nfs/dbraw/zinc/14/69/67/1000146967.db2.gz QXXCEVLGMSMHDI-DEOSSOPVSA-N 2 1 417.557 3.687 20 30 HHEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066583 1004168308 /nfs/dbraw/zinc/16/83/08/1004168308.db2.gz CRVVHBNOMXHAPV-VIHQBZHPSA-N 2 1 411.594 3.549 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511437598 1005176136 /nfs/dbraw/zinc/17/61/36/1005176136.db2.gz JUIKDRJGZHFUDS-LOSJGSFVSA-N 2 1 418.585 3.604 20 30 HHEDMP CC[C@@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000516552348 1007150785 /nfs/dbraw/zinc/15/07/85/1007150785.db2.gz FEFWRPTXLSPYTQ-DEOSSOPVSA-N 2 1 404.558 3.503 20 30 HHEDMP CC[C@@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000516552348 1007150793 /nfs/dbraw/zinc/15/07/93/1007150793.db2.gz FEFWRPTXLSPYTQ-DEOSSOPVSA-N 2 1 404.558 3.503 20 30 HHEDMP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000516552348 1007150800 /nfs/dbraw/zinc/15/08/00/1007150800.db2.gz FEFWRPTXLSPYTQ-DEOSSOPVSA-N 2 1 404.558 3.503 20 30 HHEDMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000516552348 1007150806 /nfs/dbraw/zinc/15/08/06/1007150806.db2.gz FEFWRPTXLSPYTQ-DEOSSOPVSA-N 2 1 404.558 3.503 20 30 HHEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945767 1008531564 /nfs/dbraw/zinc/53/15/64/1008531564.db2.gz DWJPJKWBOLAYEV-RDPSFJRHSA-N 2 1 407.558 3.514 20 30 HHEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)CC1 ZINC000536709480 1011882263 /nfs/dbraw/zinc/88/22/63/1011882263.db2.gz GZMZYLORICCEOP-VWLOTQADSA-N 2 1 418.585 3.738 20 30 HHEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000303774009 972019920 /nfs/dbraw/zinc/01/99/20/972019920.db2.gz FRZJHAVWNUYXEJ-HXUWFJFHSA-N 2 1 412.534 3.666 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000303786259 972027183 /nfs/dbraw/zinc/02/71/83/972027183.db2.gz RCPQFBPHOOZLIB-SFHVURJKSA-N 2 1 410.562 3.683 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000303901197 972470713 /nfs/dbraw/zinc/47/07/13/972470713.db2.gz SNTRFQYULTXETH-IBGZPJMESA-N 2 1 424.589 3.583 20 30 HHEDMP Cc1ccc(NC(=[NH2+])NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1C ZINC000303968900 972556821 /nfs/dbraw/zinc/55/68/21/972556821.db2.gz BEEZYVFMWQIQOE-UHFFFAOYSA-N 2 1 410.562 3.720 20 30 HHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000303986715 972569541 /nfs/dbraw/zinc/56/95/41/972569541.db2.gz URXIJPNJMCHVOO-IBGZPJMESA-N 2 1 400.523 3.949 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000431073903 978004867 /nfs/dbraw/zinc/00/48/67/978004867.db2.gz NQYVCRPMUQLZKA-UHFFFAOYSA-N 2 1 417.985 3.872 20 30 HHEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@@H](C)O1 ZINC000437650909 982269821 /nfs/dbraw/zinc/26/98/21/982269821.db2.gz CBUVPOKBJVRQBO-IAGOWNOFSA-N 2 1 407.505 3.871 20 30 HHEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000438056059 982557605 /nfs/dbraw/zinc/55/76/05/982557605.db2.gz ZLCFEKNUXFJLNJ-MOPGFXCFSA-N 2 1 417.623 3.961 20 30 HHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 ZINC000439597243 983465654 /nfs/dbraw/zinc/46/56/54/983465654.db2.gz NNNAZZVMPNAIGV-GOSISDBHSA-N 2 1 402.498 3.900 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000444172404 986349529 /nfs/dbraw/zinc/34/95/29/986349529.db2.gz REQTVGGFQGLPRV-SJORKVTESA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)sc2C1 ZINC000444172404 986349538 /nfs/dbraw/zinc/34/95/38/986349538.db2.gz REQTVGGFQGLPRV-SJORKVTESA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@@H]3CCCC[N@H+]3C)sc2C1 ZINC000444172404 986349549 /nfs/dbraw/zinc/34/95/49/986349549.db2.gz REQTVGGFQGLPRV-SJORKVTESA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196499 986375075 /nfs/dbraw/zinc/37/50/75/986375075.db2.gz QBMWPMMSZOVNER-ZWKOTPCHSA-N 2 1 414.619 3.881 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196499 986375081 /nfs/dbraw/zinc/37/50/81/986375081.db2.gz QBMWPMMSZOVNER-ZWKOTPCHSA-N 2 1 414.619 3.881 20 30 HHEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846492 989096832 /nfs/dbraw/zinc/09/68/32/989096832.db2.gz JVFIIOWGGOBSRK-IBGZPJMESA-N 2 1 410.949 3.994 20 30 HHEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846492 989096848 /nfs/dbraw/zinc/09/68/48/989096848.db2.gz JVFIIOWGGOBSRK-IBGZPJMESA-N 2 1 410.949 3.994 20 30 HHEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846492 989096858 /nfs/dbraw/zinc/09/68/58/989096858.db2.gz JVFIIOWGGOBSRK-IBGZPJMESA-N 2 1 410.949 3.994 20 30 HHEDMP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000475624057 996256833 /nfs/dbraw/zinc/25/68/33/996256833.db2.gz LUTZRKQXQNGPBH-UHFFFAOYSA-N 2 1 414.509 3.863 20 30 HHEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237568 997618745 /nfs/dbraw/zinc/61/87/45/997618745.db2.gz ZWBNPCBZNIDHTM-KWOQKUFVSA-N 2 1 402.542 3.554 20 30 HHEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237568 997618752 /nfs/dbraw/zinc/61/87/52/997618752.db2.gz ZWBNPCBZNIDHTM-KWOQKUFVSA-N 2 1 402.542 3.554 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969445 999022369 /nfs/dbraw/zinc/02/23/69/999022369.db2.gz HJMIXMYVZQBDQI-YADHBBJMSA-N 2 1 420.548 3.828 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969445 999022372 /nfs/dbraw/zinc/02/23/72/999022372.db2.gz HJMIXMYVZQBDQI-YADHBBJMSA-N 2 1 420.548 3.828 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000489183740 999717975 /nfs/dbraw/zinc/71/79/75/999717975.db2.gz JMOXJTUSDSFQOD-RUZDIDTESA-N 2 1 416.569 3.898 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000507603519 1002210804 /nfs/dbraw/zinc/21/08/04/1002210804.db2.gz JAUJXNQRDFBDCK-QPUCXAADSA-N 2 1 403.570 3.863 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000507603519 1002210813 /nfs/dbraw/zinc/21/08/13/1002210813.db2.gz JAUJXNQRDFBDCK-QPUCXAADSA-N 2 1 403.570 3.863 20 30 HHEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023274 1004126857 /nfs/dbraw/zinc/12/68/57/1004126857.db2.gz KEPSUGMTRPSEFD-INIZCTEOSA-N 2 1 423.586 3.679 20 30 HHEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066568 1004168432 /nfs/dbraw/zinc/16/84/32/1004168432.db2.gz CRVVHBNOMXHAPV-ITGJCUMNSA-N 2 1 411.594 3.549 20 30 HHEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501079141 1004184396 /nfs/dbraw/zinc/18/43/96/1004184396.db2.gz RXFLUQYBXMEEFJ-LJQANCHMSA-N 2 1 412.603 3.895 20 30 HHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CC2)oc1C ZINC000539495369 1007807189 /nfs/dbraw/zinc/80/71/89/1007807189.db2.gz NVONTOLAIUXIPY-UHFFFAOYSA-N 2 1 421.589 3.629 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900352 1008172894 /nfs/dbraw/zinc/17/28/94/1008172894.db2.gz WYPINPFVNWUPAZ-GPXOXTDOSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900352 1008172897 /nfs/dbraw/zinc/17/28/97/1008172897.db2.gz WYPINPFVNWUPAZ-GPXOXTDOSA-N 2 1 405.542 3.821 20 30 HHEDMP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860023 1009038240 /nfs/dbraw/zinc/03/82/40/1009038240.db2.gz RKYOYPGJTNKWKP-ZEQRLZLVSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860023 1009038254 /nfs/dbraw/zinc/03/82/54/1009038254.db2.gz RKYOYPGJTNKWKP-ZEQRLZLVSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860023 1009038271 /nfs/dbraw/zinc/03/82/71/1009038271.db2.gz RKYOYPGJTNKWKP-ZEQRLZLVSA-N 2 1 411.553 3.913 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)cc2)C1 ZINC000521467213 1010388456 /nfs/dbraw/zinc/38/84/56/1010388456.db2.gz GGKQTMYDNBZLNC-JXALWOEJSA-N 2 1 407.558 3.566 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)cc2)C1 ZINC000521467215 1010388765 /nfs/dbraw/zinc/38/87/65/1010388765.db2.gz GGKQTMYDNBZLNC-ROKPMTFOSA-N 2 1 407.558 3.566 20 30 HHEDMP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)C2=O)cc1 ZINC000551589781 1010681804 /nfs/dbraw/zinc/68/18/04/1010681804.db2.gz JBZXSVGIROZRGU-XMMPIXPASA-N 2 1 414.553 3.652 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541599870 1012394063 /nfs/dbraw/zinc/39/40/63/1012394063.db2.gz RJYJDTRKWWCASI-FHWLQOOXSA-N 2 1 400.542 3.703 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541599870 1012394083 /nfs/dbraw/zinc/39/40/83/1012394083.db2.gz RJYJDTRKWWCASI-FHWLQOOXSA-N 2 1 400.542 3.703 20 30 HHEDMP COc1ccc([C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000537296648 1012753746 /nfs/dbraw/zinc/75/37/46/1012753746.db2.gz DPSDSUFWECJWDD-SANMLTNESA-N 2 1 418.585 3.958 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1OC ZINC000303892626 972432552 /nfs/dbraw/zinc/43/25/52/972432552.db2.gz NTBWWDKWXLSTOA-IBGZPJMESA-N 2 1 416.953 3.599 20 30 HHEDMP C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000065959478 968737357 /nfs/dbraw/zinc/73/73/57/968737357.db2.gz KCFHETQYMMSGDP-UHFFFAOYSA-N 2 1 405.586 3.806 20 30 HHEDMP C=CC[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000065959478 968737362 /nfs/dbraw/zinc/73/73/62/968737362.db2.gz KCFHETQYMMSGDP-UHFFFAOYSA-N 2 1 405.586 3.806 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)C[C@H](C)O1 ZINC000237634422 970325831 /nfs/dbraw/zinc/32/58/31/970325831.db2.gz UAKZWOZORRBXCT-OYRHEFFESA-N 2 1 406.574 3.935 20 30 HHEDMP N#CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000237831873 970377243 /nfs/dbraw/zinc/37/72/43/970377243.db2.gz KUBOZJRYJQHEHP-UHFFFAOYSA-N 2 1 415.541 3.586 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)c2)CCO1 ZINC000305238999 972611875 /nfs/dbraw/zinc/61/18/75/972611875.db2.gz PKDJUKIVOAXQLF-OAHLLOKOSA-N 2 1 422.451 3.733 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)c2)CCO1 ZINC000305238999 972611877 /nfs/dbraw/zinc/61/18/77/972611877.db2.gz PKDJUKIVOAXQLF-OAHLLOKOSA-N 2 1 422.451 3.733 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644313 972613279 /nfs/dbraw/zinc/61/32/79/972613279.db2.gz CBDJPBVBVNFDDL-JLTOFOAXSA-N 2 1 420.916 3.916 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000434684675 980338095 /nfs/dbraw/zinc/33/80/95/980338095.db2.gz JXAJSADPVJQABJ-UHFFFAOYSA-N 2 1 411.937 3.953 20 30 HHEDMP C[N@H+](CCNC(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000441163163 984097046 /nfs/dbraw/zinc/09/70/46/984097046.db2.gz DOWQWLRDMMWVCR-UHFFFAOYSA-N 2 1 423.988 3.652 20 30 HHEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000441163163 984097051 /nfs/dbraw/zinc/09/70/51/984097051.db2.gz DOWQWLRDMMWVCR-UHFFFAOYSA-N 2 1 423.988 3.652 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000444213106 986396544 /nfs/dbraw/zinc/39/65/44/986396544.db2.gz OUEYWHOSHZOSDO-QGZVFWFLSA-N 2 1 400.592 3.635 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000444213106 986396551 /nfs/dbraw/zinc/39/65/51/986396551.db2.gz OUEYWHOSHZOSDO-QGZVFWFLSA-N 2 1 400.592 3.635 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000469758583 987411975 /nfs/dbraw/zinc/41/19/75/987411975.db2.gz RWKYTRCHDDCSAU-ZZYHAFTGSA-N 2 1 404.558 3.679 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000469758583 987411983 /nfs/dbraw/zinc/41/19/83/987411983.db2.gz RWKYTRCHDDCSAU-ZZYHAFTGSA-N 2 1 404.558 3.679 20 30 HHEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492723458 1000141144 /nfs/dbraw/zinc/14/11/44/1000141144.db2.gz QHKNOMUQHLIVLB-UHFFFAOYSA-N 2 1 408.384 3.891 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000512056693 1003987900 /nfs/dbraw/zinc/98/79/00/1003987900.db2.gz LVLDAZBCYCTRDW-FQEVSTJZSA-N 2 1 424.511 3.619 20 30 HHEDMP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501775982 1004715018 /nfs/dbraw/zinc/71/50/18/1004715018.db2.gz QQDQMTOAZLLMSK-SFHVURJKSA-N 2 1 402.608 3.931 20 30 HHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000510712353 1004812165 /nfs/dbraw/zinc/81/21/65/1004812165.db2.gz BBDZCFFBABJUFD-UHFFFAOYSA-N 2 1 419.997 3.776 20 30 HHEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000538393563 1006663185 /nfs/dbraw/zinc/66/31/85/1006663185.db2.gz OSJRQIWIYFABAZ-RUZDIDTESA-N 2 1 402.586 3.677 20 30 HHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000532512117 1006950192 /nfs/dbraw/zinc/95/01/92/1006950192.db2.gz XYJIAPDWBVSREE-SFHVURJKSA-N 2 1 402.970 3.984 20 30 HHEDMP CCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533760413 1008085651 /nfs/dbraw/zinc/08/56/51/1008085651.db2.gz CZGGRIALHQCFSF-UHFFFAOYSA-N 2 1 421.545 3.633 20 30 HHEDMP CCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533760413 1008085656 /nfs/dbraw/zinc/08/56/56/1008085656.db2.gz CZGGRIALHQCFSF-UHFFFAOYSA-N 2 1 421.545 3.633 20 30 HHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000540597043 1011253048 /nfs/dbraw/zinc/25/30/48/1011253048.db2.gz JTDWUIJJCUVJQP-UHFFFAOYSA-N 2 1 403.505 3.946 20 30 HHEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536487099 1011699103 /nfs/dbraw/zinc/69/91/03/1011699103.db2.gz ZULKAAVLGOGYHU-NRFANRHFSA-N 2 1 408.590 3.706 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000303906453 972476610 /nfs/dbraw/zinc/47/66/10/972476610.db2.gz WBRHZZXJSHGFTP-HXUWFJFHSA-N 2 1 412.534 3.666 20 30 HHEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000304498867 972601467 /nfs/dbraw/zinc/60/14/67/972601467.db2.gz OPQSNCSNSFJHNJ-IBGZPJMESA-N 2 1 420.479 3.554 20 30 HHEDMP C[C@@H](NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835876 972614999 /nfs/dbraw/zinc/61/49/99/972614999.db2.gz WSTYWRJMZUEKMN-RDTXWAMCSA-N 2 1 421.372 3.726 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409717320 973191484 /nfs/dbraw/zinc/19/14/84/973191484.db2.gz QBXQLOXNXFCACZ-UHFFFAOYSA-N 2 1 409.500 3.605 20 30 HHEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccncc2)n1 ZINC000433322105 979235614 /nfs/dbraw/zinc/23/56/14/979235614.db2.gz POEMGXIALCNDKS-IBGZPJMESA-N 2 1 420.586 3.922 20 30 HHEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccncc2)n1 ZINC000433322105 979235620 /nfs/dbraw/zinc/23/56/20/979235620.db2.gz POEMGXIALCNDKS-IBGZPJMESA-N 2 1 420.586 3.922 20 30 HHEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842748 980438259 /nfs/dbraw/zinc/43/82/59/980438259.db2.gz LWFHNAPCLFWNOD-NRFANRHFSA-N 2 1 408.571 3.569 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842748 980438263 /nfs/dbraw/zinc/43/82/63/980438263.db2.gz LWFHNAPCLFWNOD-NRFANRHFSA-N 2 1 408.571 3.569 20 30 HHEDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434870454 980459012 /nfs/dbraw/zinc/45/90/12/980459012.db2.gz QPQGBCZTUOFMDY-UWJYYQICSA-N 2 1 408.571 3.889 20 30 HHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434870454 980459015 /nfs/dbraw/zinc/45/90/15/980459015.db2.gz QPQGBCZTUOFMDY-UWJYYQICSA-N 2 1 408.571 3.889 20 30 HHEDMP N#Cc1ccsc1N1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000434870833 980459858 /nfs/dbraw/zinc/45/98/58/980459858.db2.gz UHZOKMZLBXLERX-OAQYLSRUSA-N 2 1 408.571 3.891 20 30 HHEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)CC1 ZINC000435132535 980662997 /nfs/dbraw/zinc/66/29/97/980662997.db2.gz JZUSAEPAIYTLKE-OAQYLSRUSA-N 2 1 406.578 3.803 20 30 HHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)CC1 ZINC000435132535 980662999 /nfs/dbraw/zinc/66/29/99/980662999.db2.gz JZUSAEPAIYTLKE-OAQYLSRUSA-N 2 1 406.578 3.803 20 30 HHEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000464773482 988998184 /nfs/dbraw/zinc/99/81/84/988998184.db2.gz JGHYFXKMANZTRF-IRXDYDNUSA-N 2 1 402.608 3.737 20 30 HHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000464773482 988998198 /nfs/dbraw/zinc/99/81/98/988998198.db2.gz JGHYFXKMANZTRF-IRXDYDNUSA-N 2 1 402.608 3.737 20 30 HHEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000472594262 993553273 /nfs/dbraw/zinc/55/32/73/993553273.db2.gz BYXRXKQBTDBXPR-RUZDIDTESA-N 2 1 402.586 3.598 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492033 996215463 /nfs/dbraw/zinc/21/54/63/996215463.db2.gz NTLKSURGNHHMDE-LEWJYISDSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492033 996215470 /nfs/dbraw/zinc/21/54/70/996215470.db2.gz NTLKSURGNHHMDE-LEWJYISDSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492033 996215478 /nfs/dbraw/zinc/21/54/78/996215478.db2.gz NTLKSURGNHHMDE-LEWJYISDSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483492033 996215485 /nfs/dbraw/zinc/21/54/85/996215485.db2.gz NTLKSURGNHHMDE-LEWJYISDSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492037 996215911 /nfs/dbraw/zinc/21/59/11/996215911.db2.gz NTLKSURGNHHMDE-RTWAWAEBSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492037 996215913 /nfs/dbraw/zinc/21/59/13/996215913.db2.gz NTLKSURGNHHMDE-RTWAWAEBSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492037 996215918 /nfs/dbraw/zinc/21/59/18/996215918.db2.gz NTLKSURGNHHMDE-RTWAWAEBSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483492037 996215923 /nfs/dbraw/zinc/21/59/23/996215923.db2.gz NTLKSURGNHHMDE-RTWAWAEBSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336858 997754041 /nfs/dbraw/zinc/75/40/41/997754041.db2.gz LREKFVGXYNXMDC-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336858 997754049 /nfs/dbraw/zinc/75/40/49/997754049.db2.gz LREKFVGXYNXMDC-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485336858 997754060 /nfs/dbraw/zinc/75/40/60/997754060.db2.gz LREKFVGXYNXMDC-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP N#CC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000479282142 999363579 /nfs/dbraw/zinc/36/35/79/999363579.db2.gz KPRVHYLWBHGTBB-XMMPIXPASA-N 2 1 416.569 3.573 20 30 HHEDMP CN(c1ccccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000509113817 1003562357 /nfs/dbraw/zinc/56/23/57/1003562357.db2.gz URRHSXBLOAQSBR-UHFFFAOYSA-N 2 1 417.601 3.801 20 30 HHEDMP C=CCc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000538762163 1007046407 /nfs/dbraw/zinc/04/64/07/1007046407.db2.gz BBOUGCGGEZLIOY-KDURUIRLSA-N 2 1 402.579 3.841 20 30 HHEDMP C=C(C)COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OC ZINC000518747423 1008412499 /nfs/dbraw/zinc/41/24/99/1008412499.db2.gz GRYNBQBEXIDXOM-FQEVSTJZSA-N 2 1 415.603 3.790 20 30 HHEDMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccc1C#N ZINC000550271020 1009821223 /nfs/dbraw/zinc/82/12/23/1009821223.db2.gz GVCKKXZFBPEDMG-HSZRJFAPSA-N 2 1 405.542 3.585 20 30 HHEDMP C=C(C)COc1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1OC ZINC000521832876 1010645541 /nfs/dbraw/zinc/64/55/41/1010645541.db2.gz KXILFXFUAFWEAD-HSZRJFAPSA-N 2 1 409.574 3.728 20 30 HHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)oc1C ZINC000552044849 1012064015 /nfs/dbraw/zinc/06/40/15/1012064015.db2.gz PUMRDMHRSWFCKK-UHFFFAOYSA-N 2 1 407.562 3.634 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587309909 1072568294 /nfs/dbraw/zinc/56/82/94/1072568294.db2.gz ZUAKKQHGRGTDMN-YSTOQKLRSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000587309909 1072568310 /nfs/dbraw/zinc/56/83/10/1072568310.db2.gz ZUAKKQHGRGTDMN-YSTOQKLRSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000587309909 1072568319 /nfs/dbraw/zinc/56/83/19/1072568319.db2.gz ZUAKKQHGRGTDMN-YSTOQKLRSA-N 2 1 424.549 3.544 20 30 HHEDMP Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1Cl ZINC000303191140 971551564 /nfs/dbraw/zinc/55/15/64/971551564.db2.gz MCYFAISRCVFXFY-UHFFFAOYSA-N 2 1 402.970 3.703 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565669 971859454 /nfs/dbraw/zinc/85/94/54/971859454.db2.gz INURLHVGXZQYLT-MDNUFGMLSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565669 971859458 /nfs/dbraw/zinc/85/94/58/971859458.db2.gz INURLHVGXZQYLT-MDNUFGMLSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565669 971859464 /nfs/dbraw/zinc/85/94/64/971859464.db2.gz INURLHVGXZQYLT-MDNUFGMLSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565669 971859470 /nfs/dbraw/zinc/85/94/70/971859470.db2.gz INURLHVGXZQYLT-MDNUFGMLSA-N 2 1 416.606 3.750 20 30 HHEDMP C[C@@H](NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000303787214 972027751 /nfs/dbraw/zinc/02/77/51/972027751.db2.gz SGYMDTLCCPOJDT-OAHLLOKOSA-N 2 1 421.372 3.991 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000303887051 972427599 /nfs/dbraw/zinc/42/75/99/972427599.db2.gz KSPHWDNJAKKXIB-SFHVURJKSA-N 2 1 410.562 3.540 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)c2)CCO1 ZINC000303887081 972427837 /nfs/dbraw/zinc/42/78/37/972427837.db2.gz ODORYEACWVIPJY-OAHLLOKOSA-N 2 1 422.451 3.733 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)c2)CCO1 ZINC000303887081 972427846 /nfs/dbraw/zinc/42/78/46/972427846.db2.gz ODORYEACWVIPJY-OAHLLOKOSA-N 2 1 422.451 3.733 20 30 HHEDMP COc1ccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000303890853 972430807 /nfs/dbraw/zinc/43/08/07/972430807.db2.gz MTMKLKAFEVQDPX-IYBDPMFKSA-N 2 1 416.953 3.885 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426141136 974261417 /nfs/dbraw/zinc/26/14/17/974261417.db2.gz CFLQDENVQVFXKN-UHFFFAOYSA-N 2 1 417.985 3.872 20 30 HHEDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870152 980459079 /nfs/dbraw/zinc/45/90/79/980459079.db2.gz PJQYFTLOVIFMGY-UWJYYQICSA-N 2 1 408.571 3.747 20 30 HHEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870152 980459081 /nfs/dbraw/zinc/45/90/81/980459081.db2.gz PJQYFTLOVIFMGY-UWJYYQICSA-N 2 1 408.571 3.747 20 30 HHEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870451 980459254 /nfs/dbraw/zinc/45/92/54/980459254.db2.gz QPQGBCZTUOFMDY-DYESRHJHSA-N 2 1 408.571 3.889 20 30 HHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870451 980459257 /nfs/dbraw/zinc/45/92/57/980459257.db2.gz QPQGBCZTUOFMDY-DYESRHJHSA-N 2 1 408.571 3.889 20 30 HHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596075 983465182 /nfs/dbraw/zinc/46/51/82/983465182.db2.gz NEYAEKPWYHQZQU-SFHVURJKSA-N 2 1 402.498 3.900 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784791 985720314 /nfs/dbraw/zinc/72/03/14/985720314.db2.gz JYSDEYHJTWSKFI-UKAVVXHISA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784791 985720323 /nfs/dbraw/zinc/72/03/23/985720323.db2.gz JYSDEYHJTWSKFI-UKAVVXHISA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784791 985720332 /nfs/dbraw/zinc/72/03/32/985720332.db2.gz JYSDEYHJTWSKFI-UKAVVXHISA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000477066088 997712418 /nfs/dbraw/zinc/71/24/18/997712418.db2.gz JUNXXHNUQDMKCP-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000477066088 997712428 /nfs/dbraw/zinc/71/24/28/997712428.db2.gz JUNXXHNUQDMKCP-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000477066088 997712444 /nfs/dbraw/zinc/71/24/44/997712444.db2.gz JUNXXHNUQDMKCP-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000512249011 1004152388 /nfs/dbraw/zinc/15/23/88/1004152388.db2.gz KSQPSUWCBWQQDV-LJQANCHMSA-N 2 1 402.558 3.905 20 30 HHEDMP COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OCCCC#N ZINC000531164896 1006025176 /nfs/dbraw/zinc/02/51/76/1006025176.db2.gz JQLICUZZYYKGGV-UHFFFAOYSA-N 2 1 409.534 3.543 20 30 HHEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532949610 1007320108 /nfs/dbraw/zinc/32/01/08/1007320108.db2.gz JYORZBDVPDFXPG-GOSISDBHSA-N 2 1 402.608 3.929 20 30 HHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532949610 1007320122 /nfs/dbraw/zinc/32/01/22/1007320122.db2.gz JYORZBDVPDFXPG-GOSISDBHSA-N 2 1 402.608 3.929 20 30 HHEDMP C[N@H+](CCOc1cccc(C#N)c1)[C@@H]1CCC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000533606213 1007905630 /nfs/dbraw/zinc/90/56/30/1007905630.db2.gz KKEWYMWTZCVOOV-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1CCC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000533606213 1007905635 /nfs/dbraw/zinc/90/56/35/1007905635.db2.gz KKEWYMWTZCVOOV-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1cccc(C#N)c1)[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)CC1 ZINC000533606213 1007905642 /nfs/dbraw/zinc/90/56/42/1007905642.db2.gz KKEWYMWTZCVOOV-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000533606213 1007905645 /nfs/dbraw/zinc/90/56/45/1007905645.db2.gz KKEWYMWTZCVOOV-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539824140 1008118295 /nfs/dbraw/zinc/11/82/95/1008118295.db2.gz YNQMYMYODATODE-LVXARBLLSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539824140 1008118302 /nfs/dbraw/zinc/11/83/02/1008118302.db2.gz YNQMYMYODATODE-LVXARBLLSA-N 2 1 418.585 3.595 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896544 1008170521 /nfs/dbraw/zinc/17/05/21/1008170521.db2.gz NFLCJKRFOGGCCZ-PZUNEJSGSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896544 1008170524 /nfs/dbraw/zinc/17/05/24/1008170524.db2.gz NFLCJKRFOGGCCZ-PZUNEJSGSA-N 2 1 405.542 3.821 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458902 1009041803 /nfs/dbraw/zinc/04/18/03/1009041803.db2.gz JKQSSUPFKLFMCV-SLFFLAALSA-N 2 1 412.578 3.573 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458902 1009041820 /nfs/dbraw/zinc/04/18/20/1009041820.db2.gz JKQSSUPFKLFMCV-SLFFLAALSA-N 2 1 412.578 3.573 20 30 HHEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601597 1012397057 /nfs/dbraw/zinc/39/70/57/1012397057.db2.gz IVPKBBHOYDQDMS-MSOLQXFVSA-N 2 1 402.970 3.829 20 30 HHEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601597 1012397070 /nfs/dbraw/zinc/39/70/70/1012397070.db2.gz IVPKBBHOYDQDMS-MSOLQXFVSA-N 2 1 402.970 3.829 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000537467352 1012970847 /nfs/dbraw/zinc/97/08/47/1012970847.db2.gz GYTXVIGYPSQURH-UHFFFAOYSA-N 2 1 408.590 3.510 20 30 HHEDMP CCCC[C@@H](ON=C(C)C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000758319274 1075215070 /nfs/dbraw/zinc/21/50/70/1075215070.db2.gz QPQKXLZLZSLPMS-JOCHJYFZSA-N 2 1 408.631 3.612 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000303308706 971618248 /nfs/dbraw/zinc/61/82/48/971618248.db2.gz OKHUZMSPNLXTKI-UHFFFAOYSA-N 2 1 418.585 3.754 20 30 HHEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000303708165 971972397 /nfs/dbraw/zinc/97/23/97/971972397.db2.gz MURWKJQEAUGFEK-LJQANCHMSA-N 2 1 402.926 3.921 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000303770582 972018041 /nfs/dbraw/zinc/01/80/41/972018041.db2.gz BYINALLQEBBIAR-SFHVURJKSA-N 2 1 410.562 3.683 20 30 HHEDMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750634 966946383 /nfs/dbraw/zinc/94/63/83/966946383.db2.gz DYKIUTZFNGUAAJ-UHFFFAOYSA-N 2 1 418.585 3.858 20 30 HHEDMP C[N@@H+](CCOc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c1)C1CCOCC1 ZINC000303969169 972557026 /nfs/dbraw/zinc/55/70/26/972557026.db2.gz BNOSASJKHSDMGA-UHFFFAOYSA-N 2 1 422.573 3.592 20 30 HHEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000304492787 972601052 /nfs/dbraw/zinc/60/10/52/972601052.db2.gz OIIPMOCGSRKFND-QGZVFWFLSA-N 2 1 410.440 3.810 20 30 HHEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000304498870 972601171 /nfs/dbraw/zinc/60/11/71/972601171.db2.gz OPQSNCSNSFJHNJ-LJQANCHMSA-N 2 1 420.479 3.554 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000304771538 972607252 /nfs/dbraw/zinc/60/72/52/972607252.db2.gz AFGORQGDRAFABH-UHFFFAOYSA-N 2 1 408.502 3.856 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000304771538 972607258 /nfs/dbraw/zinc/60/72/58/972607258.db2.gz AFGORQGDRAFABH-UHFFFAOYSA-N 2 1 408.502 3.856 20 30 HHEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000433330482 979241830 /nfs/dbraw/zinc/24/18/30/979241830.db2.gz BZHXRMKJOSSOAF-UHFFFAOYSA-N 2 1 414.557 3.655 20 30 HHEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@H](C)O1 ZINC000437650905 982269666 /nfs/dbraw/zinc/26/96/66/982269666.db2.gz CBUVPOKBJVRQBO-CALCHBBNSA-N 2 1 407.505 3.871 20 30 HHEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@H](C)O1 ZINC000437650905 982269667 /nfs/dbraw/zinc/26/96/67/982269667.db2.gz CBUVPOKBJVRQBO-CALCHBBNSA-N 2 1 407.505 3.871 20 30 HHEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441501347 984289764 /nfs/dbraw/zinc/28/97/64/984289764.db2.gz DGHCJQSKOZGDGF-UHFFFAOYSA-N 2 1 401.514 3.952 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441501347 984289770 /nfs/dbraw/zinc/28/97/70/984289770.db2.gz DGHCJQSKOZGDGF-UHFFFAOYSA-N 2 1 401.514 3.952 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000444172396 986348655 /nfs/dbraw/zinc/34/86/55/986348655.db2.gz REQTVGGFQGLPRV-DLBZAZTESA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@H]3CCCC[N@@H+]3C)sc2C1 ZINC000444172396 986348658 /nfs/dbraw/zinc/34/86/58/986348658.db2.gz REQTVGGFQGLPRV-DLBZAZTESA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@H]3CCCC[N@H+]3C)sc2C1 ZINC000444172396 986348664 /nfs/dbraw/zinc/34/86/64/986348664.db2.gz REQTVGGFQGLPRV-DLBZAZTESA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196495 986375327 /nfs/dbraw/zinc/37/53/27/986375327.db2.gz QBMWPMMSZOVNER-QZTJIDSGSA-N 2 1 414.619 3.881 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196495 986375339 /nfs/dbraw/zinc/37/53/39/986375339.db2.gz QBMWPMMSZOVNER-QZTJIDSGSA-N 2 1 414.619 3.881 20 30 HHEDMP C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444675067 986857682 /nfs/dbraw/zinc/85/76/82/986857682.db2.gz QPBOMEQHFOUQKH-OZXSUGGESA-N 2 1 416.613 3.844 20 30 HHEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000464773483 988998437 /nfs/dbraw/zinc/99/84/37/988998437.db2.gz JGHYFXKMANZTRF-SJORKVTESA-N 2 1 402.608 3.737 20 30 HHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000464773483 988998448 /nfs/dbraw/zinc/99/84/48/988998448.db2.gz JGHYFXKMANZTRF-SJORKVTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045335 989123258 /nfs/dbraw/zinc/12/32/58/989123258.db2.gz YXMVNKKQZFNQOS-IRXDYDNUSA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045335 989123262 /nfs/dbraw/zinc/12/32/62/989123262.db2.gz YXMVNKKQZFNQOS-IRXDYDNUSA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045335 989123267 /nfs/dbraw/zinc/12/32/67/989123267.db2.gz YXMVNKKQZFNQOS-IRXDYDNUSA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045335 989123273 /nfs/dbraw/zinc/12/32/73/989123273.db2.gz YXMVNKKQZFNQOS-IRXDYDNUSA-N 2 1 402.608 3.737 20 30 HHEDMP Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)c1C#N ZINC000472235663 993264112 /nfs/dbraw/zinc/26/41/12/993264112.db2.gz BJFHNIVQCCQMFQ-UHFFFAOYSA-N 2 1 423.561 3.507 20 30 HHEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488295 996213452 /nfs/dbraw/zinc/21/34/52/996213452.db2.gz JBFCBNINKDDCFX-VQIMIIECSA-N 2 1 400.592 3.633 20 30 HHEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488295 996213458 /nfs/dbraw/zinc/21/34/58/996213458.db2.gz JBFCBNINKDDCFX-VQIMIIECSA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488295 996213460 /nfs/dbraw/zinc/21/34/60/996213460.db2.gz JBFCBNINKDDCFX-VQIMIIECSA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488295 996213466 /nfs/dbraw/zinc/21/34/66/996213466.db2.gz JBFCBNINKDDCFX-VQIMIIECSA-N 2 1 400.592 3.633 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336860 997754126 /nfs/dbraw/zinc/75/41/26/997754126.db2.gz LREKFVGXYNXMDC-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336860 997754146 /nfs/dbraw/zinc/75/41/46/997754146.db2.gz LREKFVGXYNXMDC-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485336860 997754152 /nfs/dbraw/zinc/75/41/52/997754152.db2.gz LREKFVGXYNXMDC-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000479514456 999453943 /nfs/dbraw/zinc/45/39/43/999453943.db2.gz ORDKENWMIUSEMA-OAQYLSRUSA-N 2 1 408.571 3.747 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC1 ZINC000489250191 999730197 /nfs/dbraw/zinc/73/01/97/999730197.db2.gz IMQXVXSOHUYJCA-UHFFFAOYSA-N 2 1 420.601 3.981 20 30 HHEDMP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065867 1004168578 /nfs/dbraw/zinc/16/85/78/1004168578.db2.gz AFNUKNWZTWJMKG-IBGZPJMESA-N 2 1 423.536 3.704 20 30 HHEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000501769357 1004706348 /nfs/dbraw/zinc/70/63/48/1004706348.db2.gz IDZXBOWYLIHHPW-QGZVFWFLSA-N 2 1 420.985 3.609 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000513690967 1005084106 /nfs/dbraw/zinc/08/41/06/1005084106.db2.gz OVBMJUOYQFFZRL-OYRHEFFESA-N 2 1 418.585 3.926 20 30 HHEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000532949611 1007319600 /nfs/dbraw/zinc/31/96/00/1007319600.db2.gz JYORZBDVPDFXPG-SFHVURJKSA-N 2 1 402.608 3.929 20 30 HHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000532949611 1007319611 /nfs/dbraw/zinc/31/96/11/1007319611.db2.gz JYORZBDVPDFXPG-SFHVURJKSA-N 2 1 402.608 3.929 20 30 HHEDMP C=CCSc1ccccc1NC(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533278619 1007590057 /nfs/dbraw/zinc/59/00/57/1007590057.db2.gz QURAHRRWQPRVFA-KDURUIRLSA-N 2 1 417.619 3.724 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518333276 1008265323 /nfs/dbraw/zinc/26/53/23/1008265323.db2.gz PYSXMXDRBATBQO-NRFANRHFSA-N 2 1 404.986 3.644 20 30 HHEDMP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000522096991 1010809754 /nfs/dbraw/zinc/80/97/54/1010809754.db2.gz GIDSRNGICQSOIJ-UHFFFAOYSA-N 2 1 404.558 3.682 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536665953 1011818273 /nfs/dbraw/zinc/81/82/73/1011818273.db2.gz CPNUSEDTJBONLK-RLWLMLJZSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536665953 1011818283 /nfs/dbraw/zinc/81/82/83/1011818283.db2.gz CPNUSEDTJBONLK-RLWLMLJZSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863712 1072922373 /nfs/dbraw/zinc/92/23/73/1072922373.db2.gz VVNXIMGNNTUGTC-RDPSFJRHSA-N 2 1 407.558 3.657 20 30 HHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000303793882 972031717 /nfs/dbraw/zinc/03/17/17/972031717.db2.gz ZXOMMFCMDZFZKR-XMMPIXPASA-N 2 1 407.606 3.825 20 30 HHEDMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000303885684 972425990 /nfs/dbraw/zinc/42/59/90/972425990.db2.gz JXWFHFRAHYIMKK-FQEVSTJZSA-N 2 1 424.545 3.810 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000303895984 972435111 /nfs/dbraw/zinc/43/51/11/972435111.db2.gz PTUNMDGPFKLEDL-SFHVURJKSA-N 2 1 410.562 3.540 20 30 HHEDMP COc1ccc([C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000304515190 972602689 /nfs/dbraw/zinc/60/26/89/972602689.db2.gz YOYZGJNKRVAZRU-FCHUYYIVSA-N 2 1 408.546 3.650 20 30 HHEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000304513783 972602877 /nfs/dbraw/zinc/60/28/77/972602877.db2.gz YADFHGIUXZJVRV-NHCUHLMSSA-N 2 1 408.546 3.650 20 30 HHEDMP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1Cl ZINC000304762580 972605728 /nfs/dbraw/zinc/60/57/28/972605728.db2.gz VVVWYMABZAIXEG-UHFFFAOYSA-N 2 1 405.930 3.592 20 30 HHEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433182122 979124377 /nfs/dbraw/zinc/12/43/77/979124377.db2.gz ZUGVJICAPNDRRI-UHFFFAOYSA-N 2 1 405.542 3.934 20 30 HHEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866870 980457642 /nfs/dbraw/zinc/45/76/42/980457642.db2.gz FAYZTZDBKUJYJK-JBYIUTFZSA-N 2 1 422.598 3.993 20 30 HHEDMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)sc2C1 ZINC000438466555 982817743 /nfs/dbraw/zinc/81/77/43/982817743.db2.gz FFQFNUBEOMMWQL-UHFFFAOYSA-N 2 1 411.575 3.656 20 30 HHEDMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)sc2C1 ZINC000438466555 982817751 /nfs/dbraw/zinc/81/77/51/982817751.db2.gz FFQFNUBEOMMWQL-UHFFFAOYSA-N 2 1 411.575 3.656 20 30 HHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439612533 983471148 /nfs/dbraw/zinc/47/11/48/983471148.db2.gz SJQXZOXBXTXNQT-XMMPIXPASA-N 2 1 414.509 3.678 20 30 HHEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000442689807 985160915 /nfs/dbraw/zinc/16/09/15/985160915.db2.gz UPEOYWFBNTVXCS-FQEVSTJZSA-N 2 1 404.558 3.579 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196497 986374846 /nfs/dbraw/zinc/37/48/46/986374846.db2.gz QBMWPMMSZOVNER-ROUUACIJSA-N 2 1 414.619 3.881 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196497 986374860 /nfs/dbraw/zinc/37/48/60/986374860.db2.gz QBMWPMMSZOVNER-ROUUACIJSA-N 2 1 414.619 3.881 20 30 HHEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464777488 989004012 /nfs/dbraw/zinc/00/40/12/989004012.db2.gz QBXSDLFAWSFAST-QGZVFWFLSA-N 2 1 402.608 3.881 20 30 HHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464777488 989004021 /nfs/dbraw/zinc/00/40/21/989004021.db2.gz QBXSDLFAWSFAST-QGZVFWFLSA-N 2 1 402.608 3.881 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983490 989048553 /nfs/dbraw/zinc/04/85/53/989048553.db2.gz OBFFNNQPAMUGLZ-AEFFLSMTSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983490 989048563 /nfs/dbraw/zinc/04/85/63/989048563.db2.gz OBFFNNQPAMUGLZ-AEFFLSMTSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983490 989048577 /nfs/dbraw/zinc/04/85/77/989048577.db2.gz OBFFNNQPAMUGLZ-AEFFLSMTSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)sc2C1 ZINC000470983490 989048589 /nfs/dbraw/zinc/04/85/89/989048589.db2.gz OBFFNNQPAMUGLZ-AEFFLSMTSA-N 2 1 414.619 3.737 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482467168 995471186 /nfs/dbraw/zinc/47/11/86/995471186.db2.gz GZYLKDZTFYZQBZ-UPVQGACJSA-N 2 1 410.606 3.723 20 30 HHEDMP C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316544 996094570 /nfs/dbraw/zinc/09/45/70/996094570.db2.gz UVRCWLHQKCJVRZ-WIYYLYMNSA-N 2 1 408.537 3.640 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332051 997747437 /nfs/dbraw/zinc/74/74/37/997747437.db2.gz PXHNKMBJQWLLAA-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000485332051 997747444 /nfs/dbraw/zinc/74/74/44/997747444.db2.gz PXHNKMBJQWLLAA-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000485332051 997747454 /nfs/dbraw/zinc/74/74/54/997747454.db2.gz PXHNKMBJQWLLAA-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000506503083 1001442403 /nfs/dbraw/zinc/44/24/03/1001442403.db2.gz HCJLFHMQRFSSER-UHFFFAOYSA-N 2 1 416.569 3.734 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000512056695 1003988088 /nfs/dbraw/zinc/98/80/88/1003988088.db2.gz LVLDAZBCYCTRDW-HXUWFJFHSA-N 2 1 424.511 3.619 20 30 HHEDMP C[N@H+](CCOc1cccc(C#N)c1)[C@H]1CCC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000533606214 1007905676 /nfs/dbraw/zinc/90/56/76/1007905676.db2.gz KKEWYMWTZCVOOV-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000533606214 1007905688 /nfs/dbraw/zinc/90/56/88/1007905688.db2.gz KKEWYMWTZCVOOV-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1cccc(C#N)c1)[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)CC1 ZINC000533606214 1007905694 /nfs/dbraw/zinc/90/56/94/1007905694.db2.gz KKEWYMWTZCVOOV-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1cccc(C#N)c1)[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000533606214 1007905704 /nfs/dbraw/zinc/90/57/04/1007905704.db2.gz KKEWYMWTZCVOOV-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945768 1008530987 /nfs/dbraw/zinc/53/09/87/1008530987.db2.gz DWJPJKWBOLAYEV-YKSBVNFPSA-N 2 1 407.558 3.514 20 30 HHEDMP CCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000549216023 1008785605 /nfs/dbraw/zinc/78/56/05/1008785605.db2.gz RFKFDRGKWKQOKF-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CCC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000549216023 1008785618 /nfs/dbraw/zinc/78/56/18/1008785618.db2.gz RFKFDRGKWKQOKF-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000549216023 1008785634 /nfs/dbraw/zinc/78/56/34/1008785634.db2.gz RFKFDRGKWKQOKF-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000549216023 1008785639 /nfs/dbraw/zinc/78/56/39/1008785639.db2.gz RFKFDRGKWKQOKF-UHFFFAOYSA-N 2 1 418.585 3.813 20 30 HHEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000520330756 1009463028 /nfs/dbraw/zinc/46/30/28/1009463028.db2.gz RADANUVHRGITBG-SANMLTNESA-N 2 1 416.613 3.987 20 30 HHEDMP COc1ccccc1[C@H]1CC[N@@H+](CC#CC[NH+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000551385201 1010552774 /nfs/dbraw/zinc/55/27/74/1010552774.db2.gz HVEAKYFUDLZNPL-SZPZYZBQSA-N 2 1 404.554 3.986 20 30 HHEDMP COc1ccccc1[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000551385201 1010552778 /nfs/dbraw/zinc/55/27/78/1010552778.db2.gz HVEAKYFUDLZNPL-SZPZYZBQSA-N 2 1 404.554 3.986 20 30 HHEDMP COc1ccccc1[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000551385201 1010552788 /nfs/dbraw/zinc/55/27/88/1010552788.db2.gz HVEAKYFUDLZNPL-SZPZYZBQSA-N 2 1 404.554 3.986 20 30 HHEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536487109 1011699326 /nfs/dbraw/zinc/69/93/26/1011699326.db2.gz ZULKAAVLGOGYHU-OAQYLSRUSA-N 2 1 408.590 3.706 20 30 HHEDMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1)C(C)C ZINC000523889762 1012593306 /nfs/dbraw/zinc/59/33/06/1012593306.db2.gz YGGWXPXGUQKDKY-UHFFFAOYSA-N 2 1 406.574 3.993 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000303770579 972018304 /nfs/dbraw/zinc/01/83/04/972018304.db2.gz BYINALLQEBBIAR-GOSISDBHSA-N 2 1 410.562 3.683 20 30 HHEDMP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000063750633 966946523 /nfs/dbraw/zinc/94/65/23/966946523.db2.gz PJUXHTBJYQXONU-UHFFFAOYSA-N 2 1 404.558 3.681 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710285 972613124 /nfs/dbraw/zinc/61/31/24/972613124.db2.gz XIIBTPKWQXIODP-VBKZILBWSA-N 2 1 420.916 3.916 20 30 HHEDMP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000554844301 1014071956 /nfs/dbraw/zinc/07/19/56/1014071956.db2.gz SWASYBWJBYBWTG-JTSKRJEESA-N 2 1 410.949 3.816 20 30 HHEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433080309 979062311 /nfs/dbraw/zinc/06/23/11/979062311.db2.gz BUVQQKOEGOOQRD-HXUWFJFHSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000438135416 982606350 /nfs/dbraw/zinc/60/63/50/982606350.db2.gz APNACHXTGWTBIG-XMMPIXPASA-N 2 1 423.605 3.573 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[NH+]3C3CCCCC3)CC2)cc1 ZINC000438135416 982606352 /nfs/dbraw/zinc/60/63/52/982606352.db2.gz APNACHXTGWTBIG-XMMPIXPASA-N 2 1 423.605 3.573 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[NH+]3C3CCCCC3)CC2)cc1 ZINC000438135416 982606354 /nfs/dbraw/zinc/60/63/54/982606354.db2.gz APNACHXTGWTBIG-XMMPIXPASA-N 2 1 423.605 3.573 20 30 HHEDMP CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440446754 983760207 /nfs/dbraw/zinc/76/02/07/983760207.db2.gz NBLHYTBRIQBXJE-UHFFFAOYSA-N 2 1 420.561 3.675 20 30 HHEDMP CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440446754 983760211 /nfs/dbraw/zinc/76/02/11/983760211.db2.gz NBLHYTBRIQBXJE-UHFFFAOYSA-N 2 1 420.561 3.675 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396164 984229408 /nfs/dbraw/zinc/22/94/08/984229408.db2.gz UDLKWAYNHSIEQF-OXQOHEQNSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396164 984229416 /nfs/dbraw/zinc/22/94/16/984229416.db2.gz UDLKWAYNHSIEQF-OXQOHEQNSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396164 984229421 /nfs/dbraw/zinc/22/94/21/984229421.db2.gz UDLKWAYNHSIEQF-OXQOHEQNSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396164 984229425 /nfs/dbraw/zinc/22/94/25/984229425.db2.gz UDLKWAYNHSIEQF-OXQOHEQNSA-N 2 1 412.603 3.776 20 30 HHEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441516506 984298289 /nfs/dbraw/zinc/29/82/89/984298289.db2.gz UJUDGKLBETXKNG-UHFFFAOYSA-N 2 1 401.514 3.952 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441516506 984298293 /nfs/dbraw/zinc/29/82/93/984298293.db2.gz UJUDGKLBETXKNG-UHFFFAOYSA-N 2 1 401.514 3.952 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444186218 986363622 /nfs/dbraw/zinc/36/36/22/986363622.db2.gz RWCQFHPZMNSAMG-UHFFFAOYSA-N 2 1 408.590 3.565 20 30 HHEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237566 997618677 /nfs/dbraw/zinc/61/86/77/997618677.db2.gz ZWBNPCBZNIDHTM-APTRMMRNSA-N 2 1 402.542 3.554 20 30 HHEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237566 997618682 /nfs/dbraw/zinc/61/86/82/997618682.db2.gz ZWBNPCBZNIDHTM-APTRMMRNSA-N 2 1 402.542 3.554 20 30 HHEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490341450 999940607 /nfs/dbraw/zinc/94/06/07/999940607.db2.gz PVSZTRQTRJLRNH-UHFFFAOYSA-N 2 1 409.578 3.529 20 30 HHEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492696213 1000139563 /nfs/dbraw/zinc/13/95/63/1000139563.db2.gz MVJFQUIOBFVLAM-HOTGVXAUSA-N 2 1 406.368 3.642 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2=O)cc1 ZINC000507475855 1002093259 /nfs/dbraw/zinc/09/32/59/1002093259.db2.gz IDCXIOVABRDNQA-DFXJHMEVSA-N 2 1 414.553 3.554 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2=O)cc1 ZINC000507475855 1002093244 /nfs/dbraw/zinc/09/32/44/1002093244.db2.gz IDCXIOVABRDNQA-DFXJHMEVSA-N 2 1 414.553 3.554 20 30 HHEDMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1)C(C)C ZINC000508943115 1003395946 /nfs/dbraw/zinc/39/59/46/1003395946.db2.gz VUJADJGWWBDRIF-UHFFFAOYSA-N 2 1 406.574 3.993 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896540 1008170583 /nfs/dbraw/zinc/17/05/83/1008170583.db2.gz NFLCJKRFOGGCCZ-GPXOXTDOSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896540 1008170588 /nfs/dbraw/zinc/17/05/88/1008170588.db2.gz NFLCJKRFOGGCCZ-GPXOXTDOSA-N 2 1 405.542 3.821 20 30 HHEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043494 1008252866 /nfs/dbraw/zinc/25/28/66/1008252866.db2.gz ADMVYCGUJADYIG-NRFANRHFSA-N 2 1 419.573 3.955 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000518531108 1008340029 /nfs/dbraw/zinc/34/00/29/1008340029.db2.gz IIFRYQVPWRJUQV-UHFFFAOYSA-N 2 1 424.511 3.619 20 30 HHEDMP COc1ccccc1[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](c3ccccc3OC)C2)C1 ZINC000551385202 1010552478 /nfs/dbraw/zinc/55/24/78/1010552478.db2.gz HVEAKYFUDLZNPL-VXKWHMMOSA-N 2 1 404.554 3.986 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000548412943 1010618645 /nfs/dbraw/zinc/61/86/45/1010618645.db2.gz WHHRICSXWXUVSK-UHFFFAOYSA-N 2 1 402.542 3.502 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000548412943 1010618648 /nfs/dbraw/zinc/61/86/48/1010618648.db2.gz WHHRICSXWXUVSK-UHFFFAOYSA-N 2 1 402.542 3.502 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536665951 1011817331 /nfs/dbraw/zinc/81/73/31/1011817331.db2.gz CPNUSEDTJBONLK-LVXARBLLSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536665951 1011817354 /nfs/dbraw/zinc/81/73/54/1011817354.db2.gz CPNUSEDTJBONLK-LVXARBLLSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536665952 1011817808 /nfs/dbraw/zinc/81/78/08/1011817808.db2.gz CPNUSEDTJBONLK-QFQXNSOFSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536665952 1011817836 /nfs/dbraw/zinc/81/78/36/1011817836.db2.gz CPNUSEDTJBONLK-QFQXNSOFSA-N 2 1 418.585 3.595 20 30 HHEDMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000552247608 1012258749 /nfs/dbraw/zinc/25/87/49/1012258749.db2.gz VHUHABAUONMXSO-VWLOTQADSA-N 2 1 406.574 3.826 20 30 HHEDMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000552247608 1012258756 /nfs/dbraw/zinc/25/87/56/1012258756.db2.gz VHUHABAUONMXSO-VWLOTQADSA-N 2 1 406.574 3.826 20 30 HHEDMP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000524237835 1013047493 /nfs/dbraw/zinc/04/74/93/1013047493.db2.gz DLZWWAAEXSWQCA-OAQYLSRUSA-N 2 1 405.542 3.728 20 30 HHEDMP C[C@H](NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303776714 972021124 /nfs/dbraw/zinc/02/11/24/972021124.db2.gz IATJXYKGIDPWIU-HNNXBMFYSA-N 2 1 421.372 3.991 20 30 HHEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000303777510 972021906 /nfs/dbraw/zinc/02/19/06/972021906.db2.gz IWBLZQIFDQIYFW-IBGZPJMESA-N 2 1 400.523 3.522 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000303901200 972470658 /nfs/dbraw/zinc/47/06/58/972470658.db2.gz SNTRFQYULTXETH-LJQANCHMSA-N 2 1 424.589 3.583 20 30 HHEDMP CC[NH+]1CCN(C[C@@H](C)C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303905478 972475784 /nfs/dbraw/zinc/47/57/84/972475784.db2.gz ZLHDOCGHCVAAHZ-QFIPXVFZSA-N 2 1 407.606 3.826 20 30 HHEDMP C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096953973 969062148 /nfs/dbraw/zinc/06/21/48/969062148.db2.gz NUKJNMWGXQAYCP-UHFFFAOYSA-N 2 1 406.574 3.845 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000139252976 970026557 /nfs/dbraw/zinc/02/65/57/970026557.db2.gz JEIYVVLHHMLDNG-UHFFFAOYSA-N 2 1 402.542 3.502 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000139252976 970026560 /nfs/dbraw/zinc/02/65/60/970026560.db2.gz JEIYVVLHHMLDNG-UHFFFAOYSA-N 2 1 402.542 3.502 20 30 HHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@H]1c1cccs1 ZINC000304793218 972607135 /nfs/dbraw/zinc/60/71/35/972607135.db2.gz LLWQPMMLELDHBE-YWZLYKJASA-N 2 1 400.548 3.719 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710283 972613416 /nfs/dbraw/zinc/61/34/16/972613416.db2.gz XIIBTPKWQXIODP-JLTOFOAXSA-N 2 1 420.916 3.916 20 30 HHEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842750 980438923 /nfs/dbraw/zinc/43/89/23/980438923.db2.gz LWFHNAPCLFWNOD-OAQYLSRUSA-N 2 1 408.571 3.569 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842750 980438924 /nfs/dbraw/zinc/43/89/24/980438924.db2.gz LWFHNAPCLFWNOD-OAQYLSRUSA-N 2 1 408.571 3.569 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866871 980457614 /nfs/dbraw/zinc/45/76/14/980457614.db2.gz FAYZTZDBKUJYJK-KGVIQGDOSA-N 2 1 422.598 3.993 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866871 980457616 /nfs/dbraw/zinc/45/76/16/980457616.db2.gz FAYZTZDBKUJYJK-KGVIQGDOSA-N 2 1 422.598 3.993 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784790 985720011 /nfs/dbraw/zinc/72/00/11/985720011.db2.gz JYSDEYHJTWSKFI-KOUHRCEDSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784790 985720016 /nfs/dbraw/zinc/72/00/16/985720016.db2.gz JYSDEYHJTWSKFI-KOUHRCEDSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784790 985720019 /nfs/dbraw/zinc/72/00/19/985720019.db2.gz JYSDEYHJTWSKFI-KOUHRCEDSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784792 985720510 /nfs/dbraw/zinc/72/05/10/985720510.db2.gz JYSDEYHJTWSKFI-VURPSTOHSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784792 985720522 /nfs/dbraw/zinc/72/05/22/985720522.db2.gz JYSDEYHJTWSKFI-VURPSTOHSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784792 985720536 /nfs/dbraw/zinc/72/05/36/985720536.db2.gz JYSDEYHJTWSKFI-VURPSTOHSA-N 2 1 424.549 3.544 20 30 HHEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030854 989102520 /nfs/dbraw/zinc/10/25/20/989102520.db2.gz VUAWJSGHAGILBU-QGZVFWFLSA-N 2 1 402.608 3.881 20 30 HHEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030854 989102525 /nfs/dbraw/zinc/10/25/25/989102525.db2.gz VUAWJSGHAGILBU-QGZVFWFLSA-N 2 1 402.608 3.881 20 30 HHEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030854 989102529 /nfs/dbraw/zinc/10/25/29/989102529.db2.gz VUAWJSGHAGILBU-QGZVFWFLSA-N 2 1 402.608 3.881 20 30 HHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030854 989102531 /nfs/dbraw/zinc/10/25/31/989102531.db2.gz VUAWJSGHAGILBU-QGZVFWFLSA-N 2 1 402.608 3.881 20 30 HHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482635922 995629938 /nfs/dbraw/zinc/62/99/38/995629938.db2.gz VCGMXGCSEFFJQO-LJQANCHMSA-N 2 1 405.608 3.552 20 30 HHEDMP Cc1cc(-n2ccnc2)ccc1CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000483611230 996285236 /nfs/dbraw/zinc/28/52/36/996285236.db2.gz ZBIPLBNRIPSPBW-UHFFFAOYSA-N 2 1 408.509 3.923 20 30 HHEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000486580834 998839342 /nfs/dbraw/zinc/83/93/42/998839342.db2.gz PZUHKOFAXLGHMO-QFIPXVFZSA-N 2 1 420.557 3.839 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000507475853 1002092977 /nfs/dbraw/zinc/09/29/77/1002092977.db2.gz IDCXIOVABRDNQA-CGBRIMPHSA-N 2 1 414.553 3.554 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000507475853 1002092990 /nfs/dbraw/zinc/09/29/90/1002092990.db2.gz IDCXIOVABRDNQA-CGBRIMPHSA-N 2 1 414.553 3.554 20 30 HHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000538724873 1007003130 /nfs/dbraw/zinc/00/31/30/1007003130.db2.gz HAUNWPUYZNPTPK-UHFFFAOYSA-N 2 1 412.622 3.997 20 30 HHEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(OCCCC#N)c1 ZINC000538724873 1007003140 /nfs/dbraw/zinc/00/31/40/1007003140.db2.gz HAUNWPUYZNPTPK-UHFFFAOYSA-N 3 1 412.622 3.997 20 30 HHEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(OCCCC#N)c1 ZINC000538724873 1007003151 /nfs/dbraw/zinc/00/31/51/1007003151.db2.gz HAUNWPUYZNPTPK-UHFFFAOYSA-N 3 1 412.622 3.997 20 30 HHEDMP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1)CC(C)C ZINC000540198957 1008332766 /nfs/dbraw/zinc/33/27/66/1008332766.db2.gz NDDOUTBHIZMZCI-FQEVSTJZSA-N 2 1 402.608 3.805 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1)CC(C)C ZINC000540198957 1008332767 /nfs/dbraw/zinc/33/27/67/1008332767.db2.gz NDDOUTBHIZMZCI-FQEVSTJZSA-N 2 1 402.608 3.805 20 30 HHEDMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1)C1CC1 ZINC000520234669 1009356250 /nfs/dbraw/zinc/35/62/50/1009356250.db2.gz YCKJTAJYWZDMDA-UHFFFAOYSA-N 2 1 404.558 3.747 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599868 1012393018 /nfs/dbraw/zinc/39/30/18/1012393018.db2.gz RJYJDTRKWWCASI-CEXWTWQISA-N 2 1 400.542 3.703 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599868 1012393029 /nfs/dbraw/zinc/39/30/29/1012393029.db2.gz RJYJDTRKWWCASI-CEXWTWQISA-N 2 1 400.542 3.703 20 30 HHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000542154300 1013090122 /nfs/dbraw/zinc/09/01/22/1013090122.db2.gz NMOOMJKLAQOQJK-HNNXBMFYSA-N 2 1 421.607 3.889 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000303378477 971670288 /nfs/dbraw/zinc/67/02/88/971670288.db2.gz PUCKHRZYKAISBP-OAQYLSRUSA-N 2 1 400.954 3.633 20 30 HHEDMP CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303872126 972414412 /nfs/dbraw/zinc/41/44/12/972414412.db2.gz BTTSODSGZKIHJL-IBGZPJMESA-N 2 1 411.550 3.551 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531731 1013475264 /nfs/dbraw/zinc/47/52/64/1013475264.db2.gz KTHZKXWAAPDUAA-UXHICEINSA-N 2 1 412.578 3.575 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000542531731 1013475268 /nfs/dbraw/zinc/47/52/68/1013475268.db2.gz KTHZKXWAAPDUAA-UXHICEINSA-N 2 1 412.578 3.575 20 30 HHEDMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469364 966159445 /nfs/dbraw/zinc/15/94/45/966159445.db2.gz OHSDWRIGGZOZMB-JOCHJYFZSA-N 2 1 418.585 3.984 20 30 HHEDMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469364 966159471 /nfs/dbraw/zinc/15/94/71/966159471.db2.gz OHSDWRIGGZOZMB-JOCHJYFZSA-N 2 1 418.585 3.984 20 30 HHEDMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469364 966159482 /nfs/dbraw/zinc/15/94/82/966159482.db2.gz OHSDWRIGGZOZMB-JOCHJYFZSA-N 2 1 418.585 3.984 20 30 HHEDMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469364 966159491 /nfs/dbraw/zinc/15/94/91/966159491.db2.gz OHSDWRIGGZOZMB-JOCHJYFZSA-N 2 1 418.585 3.984 20 30 HHEDMP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1OC ZINC000060948656 966334127 /nfs/dbraw/zinc/33/41/27/966334127.db2.gz OAJJNCPCWWTBHN-UHFFFAOYSA-N 2 1 409.574 3.687 20 30 HHEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131000 980662248 /nfs/dbraw/zinc/66/22/48/980662248.db2.gz AHQSRNZQKAPAFA-LEWJYISDSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131000 980662253 /nfs/dbraw/zinc/66/22/53/980662253.db2.gz AHQSRNZQKAPAFA-LEWJYISDSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131000 980662256 /nfs/dbraw/zinc/66/22/56/980662256.db2.gz AHQSRNZQKAPAFA-LEWJYISDSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131000 980662259 /nfs/dbraw/zinc/66/22/59/980662259.db2.gz AHQSRNZQKAPAFA-LEWJYISDSA-N 2 1 406.578 3.945 20 30 HHEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627832 986814600 /nfs/dbraw/zinc/81/46/00/986814600.db2.gz ZIYIRMIAJGXLPD-SANMLTNESA-N 2 1 416.613 3.988 20 30 HHEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627832 986814608 /nfs/dbraw/zinc/81/46/08/986814608.db2.gz ZIYIRMIAJGXLPD-SANMLTNESA-N 2 1 416.613 3.988 20 30 HHEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000464773479 988998519 /nfs/dbraw/zinc/99/85/19/988998519.db2.gz JGHYFXKMANZTRF-IAGOWNOFSA-N 2 1 402.608 3.737 20 30 HHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000464773479 988998524 /nfs/dbraw/zinc/99/85/24/988998524.db2.gz JGHYFXKMANZTRF-IAGOWNOFSA-N 2 1 402.608 3.737 20 30 HHEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967767 989031419 /nfs/dbraw/zinc/03/14/19/989031419.db2.gz MVUSWMXXVCMQIV-SFHVURJKSA-N 2 1 414.619 3.881 20 30 HHEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967767 989031428 /nfs/dbraw/zinc/03/14/28/989031428.db2.gz MVUSWMXXVCMQIV-SFHVURJKSA-N 2 1 414.619 3.881 20 30 HHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967767 989031435 /nfs/dbraw/zinc/03/14/35/989031435.db2.gz MVUSWMXXVCMQIV-SFHVURJKSA-N 2 1 414.619 3.881 20 30 HHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967767 989031441 /nfs/dbraw/zinc/03/14/41/989031441.db2.gz MVUSWMXXVCMQIV-SFHVURJKSA-N 2 1 414.619 3.881 20 30 HHEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967766 989031704 /nfs/dbraw/zinc/03/17/04/989031704.db2.gz MVUSWMXXVCMQIV-GOSISDBHSA-N 2 1 414.619 3.881 20 30 HHEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967766 989031710 /nfs/dbraw/zinc/03/17/10/989031710.db2.gz MVUSWMXXVCMQIV-GOSISDBHSA-N 2 1 414.619 3.881 20 30 HHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967766 989031718 /nfs/dbraw/zinc/03/17/18/989031718.db2.gz MVUSWMXXVCMQIV-GOSISDBHSA-N 2 1 414.619 3.881 20 30 HHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967766 989031728 /nfs/dbraw/zinc/03/17/28/989031728.db2.gz MVUSWMXXVCMQIV-GOSISDBHSA-N 2 1 414.619 3.881 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983507 989048388 /nfs/dbraw/zinc/04/83/88/989048388.db2.gz OBFFNNQPAMUGLZ-WMZOPIPTSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983507 989048401 /nfs/dbraw/zinc/04/84/01/989048401.db2.gz OBFFNNQPAMUGLZ-WMZOPIPTSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983507 989048416 /nfs/dbraw/zinc/04/84/16/989048416.db2.gz OBFFNNQPAMUGLZ-WMZOPIPTSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)sc2C1 ZINC000470983507 989048427 /nfs/dbraw/zinc/04/84/27/989048427.db2.gz OBFFNNQPAMUGLZ-WMZOPIPTSA-N 2 1 414.619 3.737 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000465873932 990988661 /nfs/dbraw/zinc/98/86/61/990988661.db2.gz WXMQQIPLNCACHL-UHFFFAOYSA-N 2 1 410.562 3.751 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000465873932 990988667 /nfs/dbraw/zinc/98/86/67/990988667.db2.gz WXMQQIPLNCACHL-UHFFFAOYSA-N 2 1 410.562 3.751 20 30 HHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000481934590 994806820 /nfs/dbraw/zinc/80/68/20/994806820.db2.gz VAWVLXQNJKXGBH-ZCYQVOJMSA-N 2 1 416.569 3.813 20 30 HHEDMP C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316541 996094654 /nfs/dbraw/zinc/09/46/54/996094654.db2.gz UVRCWLHQKCJVRZ-GHTZIAJQSA-N 2 1 408.537 3.640 20 30 HHEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237569 997619004 /nfs/dbraw/zinc/61/90/04/997619004.db2.gz ZWBNPCBZNIDHTM-NGYIFUPDSA-N 2 1 402.542 3.554 20 30 HHEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237569 997619007 /nfs/dbraw/zinc/61/90/07/997619007.db2.gz ZWBNPCBZNIDHTM-NGYIFUPDSA-N 2 1 402.542 3.554 20 30 HHEDMP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cc(Br)ccc1F ZINC000501151616 1004238406 /nfs/dbraw/zinc/23/84/06/1004238406.db2.gz UWZIGJGINBWQPT-UHFFFAOYSA-N 2 1 412.391 3.992 20 30 HHEDMP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cc(Br)ccc1F ZINC000501151616 1004238412 /nfs/dbraw/zinc/23/84/12/1004238412.db2.gz UWZIGJGINBWQPT-UHFFFAOYSA-N 2 1 412.391 3.992 20 30 HHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000503077299 1005340994 /nfs/dbraw/zinc/34/09/94/1005340994.db2.gz RWJJBKLPIJSIAT-UHFFFAOYSA-N 2 1 422.508 3.570 20 30 HHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000503077299 1005340997 /nfs/dbraw/zinc/34/09/97/1005340997.db2.gz RWJJBKLPIJSIAT-UHFFFAOYSA-N 2 1 422.508 3.570 20 30 HHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000538943947 1007227686 /nfs/dbraw/zinc/22/76/86/1007227686.db2.gz RIVFOHIHIHWYEX-UHFFFAOYSA-N 2 1 402.502 3.742 20 30 HHEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000532922899 1007295081 /nfs/dbraw/zinc/29/50/81/1007295081.db2.gz BPSVJPWMPJSPQG-SFHVURJKSA-N 2 1 402.608 3.931 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900354 1008173025 /nfs/dbraw/zinc/17/30/25/1008173025.db2.gz WYPINPFVNWUPAZ-QLBJFCOMSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900354 1008173029 /nfs/dbraw/zinc/17/30/29/1008173029.db2.gz WYPINPFVNWUPAZ-QLBJFCOMSA-N 2 1 405.542 3.821 20 30 HHEDMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccc1C#N ZINC000550271021 1009821792 /nfs/dbraw/zinc/82/17/92/1009821792.db2.gz GVCKKXZFBPEDMG-QHCPKHFHSA-N 2 1 405.542 3.585 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587309904 1072568256 /nfs/dbraw/zinc/56/82/56/1072568256.db2.gz ZUAKKQHGRGTDMN-MTQWCTHYSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000587309904 1072568270 /nfs/dbraw/zinc/56/82/70/1072568270.db2.gz ZUAKKQHGRGTDMN-MTQWCTHYSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587309904 1072568277 /nfs/dbraw/zinc/56/82/77/1072568277.db2.gz ZUAKKQHGRGTDMN-MTQWCTHYSA-N 2 1 424.549 3.544 20 30 HHEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000237165359 970234321 /nfs/dbraw/zinc/23/43/21/970234321.db2.gz MZXXPAQPFWUUPM-UHFFFAOYSA-N 2 1 406.574 3.500 20 30 HHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000237257809 970249963 /nfs/dbraw/zinc/24/99/63/970249963.db2.gz FNMNJHSJMSLKPK-AWEZNQCLSA-N 2 1 408.340 3.953 20 30 HHEDMP COc1ccccc1[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000304513791 972602540 /nfs/dbraw/zinc/60/25/40/972602540.db2.gz YADFHGIUXZJVRV-RTWAWAEBSA-N 2 1 408.546 3.650 20 30 HHEDMP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000554844304 1014071895 /nfs/dbraw/zinc/07/18/95/1014071895.db2.gz SWASYBWJBYBWTG-VGSWGCGISA-N 2 1 410.949 3.816 20 30 HHEDMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433012486 979041403 /nfs/dbraw/zinc/04/14/03/979041403.db2.gz TWPMRMURKGILQE-URXFXBBRSA-N 2 1 404.558 3.917 20 30 HHEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000438056106 982557721 /nfs/dbraw/zinc/55/77/21/982557721.db2.gz ZLCFEKNUXFJLNJ-RBUKOAKNSA-N 2 1 417.623 3.961 20 30 HHEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000438313451 982717238 /nfs/dbraw/zinc/71/72/38/982717238.db2.gz FCMYWOQLDURSNW-UHFFFAOYSA-N 2 1 423.988 3.652 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475126725 995939198 /nfs/dbraw/zinc/93/91/98/995939198.db2.gz CRTLRSAHSVXWBF-RUZDIDTESA-N 2 1 410.606 3.725 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351935 997773569 /nfs/dbraw/zinc/77/35/69/997773569.db2.gz SKLLOKFPUHKQSX-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485351935 997773582 /nfs/dbraw/zinc/77/35/82/997773582.db2.gz SKLLOKFPUHKQSX-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485351935 997773595 /nfs/dbraw/zinc/77/35/95/997773595.db2.gz SKLLOKFPUHKQSX-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492853485 1000147006 /nfs/dbraw/zinc/14/70/06/1000147006.db2.gz QXXCEVLGMSMHDI-XMMPIXPASA-N 2 1 417.557 3.687 20 30 HHEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501020589 1004123096 /nfs/dbraw/zinc/12/30/96/1004123096.db2.gz MIFGLJXZLZSZMK-UHFFFAOYSA-N 2 1 411.937 3.784 20 30 HHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000532512116 1006949630 /nfs/dbraw/zinc/94/96/30/1006949630.db2.gz XYJIAPDWBVSREE-GOSISDBHSA-N 2 1 402.970 3.984 20 30 HHEDMP C[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825397 1007208880 /nfs/dbraw/zinc/20/88/80/1007208880.db2.gz NQVMTWAKIWBCLO-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825397 1007208898 /nfs/dbraw/zinc/20/88/98/1007208898.db2.gz NQVMTWAKIWBCLO-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825397 1007208906 /nfs/dbraw/zinc/20/89/06/1007208906.db2.gz NQVMTWAKIWBCLO-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825397 1007208914 /nfs/dbraw/zinc/20/89/14/1007208914.db2.gz NQVMTWAKIWBCLO-HSZRJFAPSA-N 2 1 418.541 3.674 20 30 HHEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532926036 1007298015 /nfs/dbraw/zinc/29/80/15/1007298015.db2.gz IELKGOGTIROXMC-INIZCTEOSA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000519756859 1008995792 /nfs/dbraw/zinc/99/57/92/1008995792.db2.gz BTRCCEGQPZWTKP-FQEVSTJZSA-N 2 1 402.542 3.873 20 30 HHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519756859 1008995817 /nfs/dbraw/zinc/99/58/17/1008995817.db2.gz BTRCCEGQPZWTKP-FQEVSTJZSA-N 2 1 402.542 3.873 20 30 HHEDMP COc1cccc([C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)c1 ZINC000540596871 1011252486 /nfs/dbraw/zinc/25/24/86/1011252486.db2.gz GKYYMVVXWRLZSI-SANMLTNESA-N 2 1 418.585 3.958 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719018 1011369452 /nfs/dbraw/zinc/36/94/52/1011369452.db2.gz PMUQXDIJCJHLAG-LEWJYISDSA-N 2 1 422.976 3.953 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719026 1011370277 /nfs/dbraw/zinc/37/02/77/1011370277.db2.gz PMUQXDIJCJHLAG-RTWAWAEBSA-N 2 1 422.976 3.953 20 30 HHEDMP CC(C)C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000523611360 1012181534 /nfs/dbraw/zinc/18/15/34/1012181534.db2.gz ZZXZIOIKWWDEFH-UHFFFAOYSA-N 2 1 418.585 3.928 20 30 HHEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601598 1012398055 /nfs/dbraw/zinc/39/80/55/1012398055.db2.gz IVPKBBHOYDQDMS-QZTJIDSGSA-N 2 1 402.970 3.829 20 30 HHEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601598 1012398067 /nfs/dbraw/zinc/39/80/67/1012398067.db2.gz IVPKBBHOYDQDMS-QZTJIDSGSA-N 2 1 402.970 3.829 20 30 HHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000303901532 972471016 /nfs/dbraw/zinc/47/10/16/972471016.db2.gz STMLVPMLQPEDDD-QHCPKHFHSA-N 2 1 409.578 3.579 20 30 HHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000303901532 972471018 /nfs/dbraw/zinc/47/10/18/972471018.db2.gz STMLVPMLQPEDDD-QHCPKHFHSA-N 2 1 409.578 3.579 20 30 HHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000303901532 972471032 /nfs/dbraw/zinc/47/10/32/972471032.db2.gz STMLVPMLQPEDDD-QHCPKHFHSA-N 2 1 409.578 3.579 20 30 HHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000237212871 970243279 /nfs/dbraw/zinc/24/32/79/970243279.db2.gz FNMNJHSJMSLKPK-CQSZACIVSA-N 2 1 408.340 3.953 20 30 HHEDMP COc1ccccc1[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000304513799 972603012 /nfs/dbraw/zinc/60/30/12/972603012.db2.gz YADFHGIUXZJVRV-SFTDATJTSA-N 2 1 408.546 3.650 20 30 HHEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000426453470 974459930 /nfs/dbraw/zinc/45/99/30/974459930.db2.gz GSCXVIMUGRTFFV-UHFFFAOYSA-N 2 1 423.988 3.652 20 30 HHEDMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433012485 979041533 /nfs/dbraw/zinc/04/15/33/979041533.db2.gz TWPMRMURKGILQE-QPPBQGQZSA-N 2 1 404.558 3.917 20 30 HHEDMP N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433118715 979081896 /nfs/dbraw/zinc/08/18/96/979081896.db2.gz YPDWGBSDYYCKJZ-NRFANRHFSA-N 2 1 420.582 3.713 20 30 HHEDMP N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433118715 979081902 /nfs/dbraw/zinc/08/19/02/979081902.db2.gz YPDWGBSDYYCKJZ-NRFANRHFSA-N 2 1 420.582 3.713 20 30 HHEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866869 980457638 /nfs/dbraw/zinc/45/76/38/980457638.db2.gz FAYZTZDBKUJYJK-HMFYCAOWSA-N 2 1 422.598 3.993 20 30 HHEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000434990204 980553566 /nfs/dbraw/zinc/55/35/66/980553566.db2.gz FZHCRRAYUCIWHJ-UHFFFAOYSA-N 2 1 415.545 3.602 20 30 HHEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131003 980662063 /nfs/dbraw/zinc/66/20/63/980662063.db2.gz AHQSRNZQKAPAFA-SFTDATJTSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131003 980662067 /nfs/dbraw/zinc/66/20/67/980662067.db2.gz AHQSRNZQKAPAFA-SFTDATJTSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131003 980662068 /nfs/dbraw/zinc/66/20/68/980662068.db2.gz AHQSRNZQKAPAFA-SFTDATJTSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131003 980662072 /nfs/dbraw/zinc/66/20/72/980662072.db2.gz AHQSRNZQKAPAFA-SFTDATJTSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596068 983465137 /nfs/dbraw/zinc/46/51/37/983465137.db2.gz NEYAEKPWYHQZQU-GOSISDBHSA-N 2 1 402.498 3.900 20 30 HHEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627830 986814425 /nfs/dbraw/zinc/81/44/25/986814425.db2.gz ZIYIRMIAJGXLPD-AREMUKBSSA-N 2 1 416.613 3.988 20 30 HHEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627830 986814431 /nfs/dbraw/zinc/81/44/31/986814431.db2.gz ZIYIRMIAJGXLPD-AREMUKBSSA-N 2 1 416.613 3.988 20 30 HHEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000472594263 993553074 /nfs/dbraw/zinc/55/30/74/993553074.db2.gz BYXRXKQBTDBXPR-VWLOTQADSA-N 2 1 402.586 3.598 20 30 HHEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481913231 994786303 /nfs/dbraw/zinc/78/63/03/994786303.db2.gz DLYXREFBNOTUJH-DEOSSOPVSA-N 2 1 402.542 3.503 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056080 1000040010 /nfs/dbraw/zinc/04/00/10/1000040010.db2.gz IEYPSDOUQPISBO-PKTZIBPZSA-N 2 1 416.606 3.751 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056080 1000040012 /nfs/dbraw/zinc/04/00/12/1000040012.db2.gz IEYPSDOUQPISBO-PKTZIBPZSA-N 2 1 416.606 3.751 20 30 HHEDMP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000507671651 1002266896 /nfs/dbraw/zinc/26/68/96/1002266896.db2.gz WCJWGILTEVVHHX-UHFFFAOYSA-N 2 1 422.598 3.956 20 30 HHEDMP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000507671651 1002266905 /nfs/dbraw/zinc/26/69/05/1002266905.db2.gz WCJWGILTEVVHHX-UHFFFAOYSA-N 2 1 422.598 3.956 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959067 1007004918 /nfs/dbraw/zinc/00/49/18/1007004918.db2.gz APAJDHTUSLINDE-DYESRHJHSA-N 2 1 422.976 3.812 20 30 HHEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)CC1 ZINC000533397360 1007710183 /nfs/dbraw/zinc/71/01/83/1007710183.db2.gz UQZPNBQVGRQWQR-SFHVURJKSA-N 2 1 414.619 3.881 20 30 HHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)CC1 ZINC000533397360 1007710195 /nfs/dbraw/zinc/71/01/95/1007710195.db2.gz UQZPNBQVGRQWQR-SFHVURJKSA-N 2 1 414.619 3.881 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539824142 1008118116 /nfs/dbraw/zinc/11/81/16/1008118116.db2.gz YNQMYMYODATODE-RLWLMLJZSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539824142 1008118121 /nfs/dbraw/zinc/11/81/21/1008118121.db2.gz YNQMYMYODATODE-RLWLMLJZSA-N 2 1 418.585 3.595 20 30 HHEDMP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1)CC1CC1 ZINC000540049200 1008258455 /nfs/dbraw/zinc/25/84/55/1008258455.db2.gz HWCCGLXZYVWPIV-HXUWFJFHSA-N 2 1 400.592 3.559 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1)CC1CC1 ZINC000540049200 1008258461 /nfs/dbraw/zinc/25/84/61/1008258461.db2.gz HWCCGLXZYVWPIV-HXUWFJFHSA-N 2 1 400.592 3.559 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000552248666 1012260178 /nfs/dbraw/zinc/26/01/78/1012260178.db2.gz OLRSFFPSDZGUQC-HXUWFJFHSA-N 2 1 404.558 3.538 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000552248666 1012260183 /nfs/dbraw/zinc/26/01/83/1012260183.db2.gz OLRSFFPSDZGUQC-HXUWFJFHSA-N 2 1 404.558 3.538 20 30 HHEDMP CCN1CC[NH+](Cc2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000537432583 1012921518 /nfs/dbraw/zinc/92/15/18/1012921518.db2.gz GYNLVWSNKSMEOO-UHFFFAOYSA-N 2 1 417.601 3.772 20 30 HHEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)c1cccc(OC)c1 ZINC000303780853 972023778 /nfs/dbraw/zinc/02/37/78/972023778.db2.gz LTADEYQSYLUPHA-HXUWFJFHSA-N 2 1 400.523 3.522 20 30 HHEDMP COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000303885686 972425821 /nfs/dbraw/zinc/42/58/21/972425821.db2.gz JXWFHFRAHYIMKK-HXUWFJFHSA-N 2 1 424.545 3.810 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1OC ZINC000303892627 972432822 /nfs/dbraw/zinc/43/28/22/972432822.db2.gz NTBWWDKWXLSTOA-LJQANCHMSA-N 2 1 416.953 3.599 20 30 HHEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000304492784 972601358 /nfs/dbraw/zinc/60/13/58/972601358.db2.gz OIIPMOCGSRKFND-KRWDZBQOSA-N 2 1 410.440 3.810 20 30 HHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433300448 979223589 /nfs/dbraw/zinc/22/35/89/979223589.db2.gz FFZXVDOESJYAOA-UHFFFAOYSA-N 2 1 402.546 3.989 20 30 HHEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@H](C)O1 ZINC000437650912 982269546 /nfs/dbraw/zinc/26/95/46/982269546.db2.gz CBUVPOKBJVRQBO-IRXDYDNUSA-N 2 1 407.505 3.871 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396167 984229263 /nfs/dbraw/zinc/22/92/63/984229263.db2.gz UDLKWAYNHSIEQF-UZLBHIALSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396167 984229266 /nfs/dbraw/zinc/22/92/66/984229266.db2.gz UDLKWAYNHSIEQF-UZLBHIALSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396167 984229271 /nfs/dbraw/zinc/22/92/71/984229271.db2.gz UDLKWAYNHSIEQF-UZLBHIALSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396167 984229280 /nfs/dbraw/zinc/22/92/80/984229280.db2.gz UDLKWAYNHSIEQF-UZLBHIALSA-N 2 1 412.603 3.776 20 30 HHEDMP N#CCSc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443591151 985767002 /nfs/dbraw/zinc/76/70/02/985767002.db2.gz OJDGKKIGPICSAW-UHFFFAOYSA-N 2 1 400.592 3.829 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1[C@H]1CCCC[C@H]1O ZINC000463193878 986166027 /nfs/dbraw/zinc/16/60/27/986166027.db2.gz PSLGKIQCOLHDJJ-JMLBKQIVSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1[C@H]1CCCC[C@H]1O ZINC000463193878 986166030 /nfs/dbraw/zinc/16/60/30/986166030.db2.gz PSLGKIQCOLHDJJ-JMLBKQIVSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@H]1[C@H]1CCCC[C@H]1O ZINC000463193878 986166036 /nfs/dbraw/zinc/16/60/36/986166036.db2.gz PSLGKIQCOLHDJJ-JMLBKQIVSA-N 2 1 416.650 3.801 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000444172399 986350183 /nfs/dbraw/zinc/35/01/83/986350183.db2.gz REQTVGGFQGLPRV-IAGOWNOFSA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@H]3CCCC[N@@H+]3C)sc2C1 ZINC000444172399 986350193 /nfs/dbraw/zinc/35/01/93/986350193.db2.gz REQTVGGFQGLPRV-IAGOWNOFSA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+](C)CC[C@H]3CCCC[N@H+]3C)sc2C1 ZINC000444172399 986350206 /nfs/dbraw/zinc/35/02/06/986350206.db2.gz REQTVGGFQGLPRV-IAGOWNOFSA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000469758582 987411849 /nfs/dbraw/zinc/41/18/49/987411849.db2.gz RWKYTRCHDDCSAU-SFTDATJTSA-N 2 1 404.558 3.679 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000477043953 997679179 /nfs/dbraw/zinc/67/91/79/997679179.db2.gz ODJVVKBQMPUFMD-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000477043953 997679187 /nfs/dbraw/zinc/67/91/87/997679187.db2.gz ODJVVKBQMPUFMD-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000477043953 997679202 /nfs/dbraw/zinc/67/92/02/997679202.db2.gz ODJVVKBQMPUFMD-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336861 997753809 /nfs/dbraw/zinc/75/38/09/997753809.db2.gz LREKFVGXYNXMDC-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336861 997753813 /nfs/dbraw/zinc/75/38/13/997753813.db2.gz LREKFVGXYNXMDC-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485336861 997753823 /nfs/dbraw/zinc/75/38/23/997753823.db2.gz LREKFVGXYNXMDC-VWNXMTODSA-N 2 1 402.542 3.873 20 30 HHEDMP CC[N@@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1)C1CC1 ZINC000479292580 999368844 /nfs/dbraw/zinc/36/88/44/999368844.db2.gz WDHDYUWEHKZAJN-UHFFFAOYSA-N 2 1 416.569 3.959 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000507475858 1002093364 /nfs/dbraw/zinc/09/33/64/1002093364.db2.gz IDCXIOVABRDNQA-QVQNZMNRSA-N 2 1 414.553 3.554 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000507475858 1002093374 /nfs/dbraw/zinc/09/33/74/1002093374.db2.gz IDCXIOVABRDNQA-QVQNZMNRSA-N 2 1 414.553 3.554 20 30 HHEDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000512272716 1004174469 /nfs/dbraw/zinc/17/44/69/1004174469.db2.gz UKVFQJXHOVJYAG-INIZCTEOSA-N 2 1 402.608 3.879 20 30 HHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000512272716 1004174474 /nfs/dbraw/zinc/17/44/74/1004174474.db2.gz UKVFQJXHOVJYAG-INIZCTEOSA-N 2 1 402.608 3.879 20 30 HHEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513149511 1004832417 /nfs/dbraw/zinc/83/24/17/1004832417.db2.gz LOXYEDWPERXZPF-SJPCQFCGSA-N 2 1 400.592 3.774 20 30 HHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513149511 1004832425 /nfs/dbraw/zinc/83/24/25/1004832425.db2.gz LOXYEDWPERXZPF-SJPCQFCGSA-N 2 1 400.592 3.774 20 30 HHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513149511 1004832431 /nfs/dbraw/zinc/83/24/31/1004832431.db2.gz LOXYEDWPERXZPF-SJPCQFCGSA-N 2 1 400.592 3.774 20 30 HHEDMP N#CCCN(C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534227704 1006225874 /nfs/dbraw/zinc/22/58/74/1006225874.db2.gz DEVYNFHLDPGJML-UHFFFAOYSA-N 2 1 416.569 3.921 20 30 HHEDMP N#CCCN(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534227704 1006225881 /nfs/dbraw/zinc/22/58/81/1006225881.db2.gz DEVYNFHLDPGJML-UHFFFAOYSA-N 2 1 416.569 3.921 20 30 HHEDMP CCC[N@H+](CCOc1ccc(C#N)cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533381348 1007694389 /nfs/dbraw/zinc/69/43/89/1007694389.db2.gz NZUFMKJRKDKYCC-UHFFFAOYSA-N 2 1 423.561 3.734 20 30 HHEDMP CCC[N@@H+](CCOc1ccc(C#N)cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533381348 1007694392 /nfs/dbraw/zinc/69/43/92/1007694392.db2.gz NZUFMKJRKDKYCC-UHFFFAOYSA-N 2 1 423.561 3.734 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539824139 1008118436 /nfs/dbraw/zinc/11/84/36/1008118436.db2.gz YNQMYMYODATODE-HFZDXXHNSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539824139 1008118439 /nfs/dbraw/zinc/11/84/39/1008118439.db2.gz YNQMYMYODATODE-HFZDXXHNSA-N 2 1 418.585 3.595 20 30 HHEDMP Cc1sc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000540048614 1008257888 /nfs/dbraw/zinc/25/78/88/1008257888.db2.gz XARUANCWPXCFRM-UHFFFAOYSA-N 2 1 411.575 3.809 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000549194565 1008767500 /nfs/dbraw/zinc/76/75/00/1008767500.db2.gz KXVNAGQCAUDWBB-TYBLODHISA-N 2 1 421.585 3.760 20 30 HHEDMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000552247607 1012257876 /nfs/dbraw/zinc/25/78/76/1012257876.db2.gz VHUHABAUONMXSO-RUZDIDTESA-N 2 1 406.574 3.826 20 30 HHEDMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000552247607 1012257886 /nfs/dbraw/zinc/25/78/86/1012257886.db2.gz VHUHABAUONMXSO-RUZDIDTESA-N 2 1 406.574 3.826 20 30 HHEDMP COc1ccc([C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000537296645 1012753541 /nfs/dbraw/zinc/75/35/41/1012753541.db2.gz DPSDSUFWECJWDD-AREMUKBSSA-N 2 1 418.585 3.958 20 30 HHEDMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019532 1012910730 /nfs/dbraw/zinc/91/07/30/1012910730.db2.gz XECKSRPFWOYZSP-LJQANCHMSA-N 2 1 412.541 3.618 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043132 971472764 /nfs/dbraw/zinc/47/27/64/971472764.db2.gz SUENYBDRRDCBBV-XZOQPEGZSA-N 2 1 416.606 3.607 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043132 971472769 /nfs/dbraw/zinc/47/27/69/971472769.db2.gz SUENYBDRRDCBBV-XZOQPEGZSA-N 2 1 416.606 3.607 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000303378476 971670441 /nfs/dbraw/zinc/67/04/41/971670441.db2.gz PUCKHRZYKAISBP-NRFANRHFSA-N 2 1 400.954 3.633 20 30 HHEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303892701 972432775 /nfs/dbraw/zinc/43/27/75/972432775.db2.gz RKCRUVJJHYIVMW-KRWDZBQOSA-N 2 1 406.452 3.876 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000303895979 972435172 /nfs/dbraw/zinc/43/51/72/972435172.db2.gz PTUNMDGPFKLEDL-GOSISDBHSA-N 2 1 410.562 3.540 20 30 HHEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)CC1 ZINC000537661946 1013223277 /nfs/dbraw/zinc/22/32/77/1013223277.db2.gz WWFMXDRPTHYNKC-RUZDIDTESA-N 2 1 418.585 3.738 20 30 HHEDMP Cc1ccc([C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)o1 ZINC000304502812 972601274 /nfs/dbraw/zinc/60/12/74/972601274.db2.gz PXBMTUONUSCFSU-QGZVFWFLSA-N 2 1 410.440 3.728 20 30 HHEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1OC ZINC000304775203 972606615 /nfs/dbraw/zinc/60/66/15/972606615.db2.gz CJIXVODRQMCXIS-UHFFFAOYSA-N 2 1 408.502 3.856 20 30 HHEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1OC ZINC000304775203 972606623 /nfs/dbraw/zinc/60/66/23/972606623.db2.gz CJIXVODRQMCXIS-UHFFFAOYSA-N 2 1 408.502 3.856 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706725 972613146 /nfs/dbraw/zinc/61/31/46/972613146.db2.gz WGDQBTIBUAOPKS-DYESRHJHSA-N 2 1 418.944 3.628 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644315 972613626 /nfs/dbraw/zinc/61/36/26/972613626.db2.gz CBDJPBVBVNFDDL-VBKZILBWSA-N 2 1 420.916 3.916 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433044685 979050621 /nfs/dbraw/zinc/05/06/21/979050621.db2.gz NRBKNVXRRMZDRA-UHFFFAOYSA-N 2 1 402.542 3.875 20 30 HHEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433080307 979062333 /nfs/dbraw/zinc/06/23/33/979062333.db2.gz BUVQQKOEGOOQRD-FQEVSTJZSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433172764 979117747 /nfs/dbraw/zinc/11/77/47/979117747.db2.gz DKFVOJCOOMAVBQ-UHFFFAOYSA-N 2 1 402.542 3.875 20 30 HHEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435126695 980658040 /nfs/dbraw/zinc/65/80/40/980658040.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 2 1 414.557 3.813 20 30 HHEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435126695 980658044 /nfs/dbraw/zinc/65/80/44/980658044.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 2 1 414.557 3.813 20 30 HHEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435126695 980658047 /nfs/dbraw/zinc/65/80/47/980658047.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 2 1 414.557 3.813 20 30 HHEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435126695 980658050 /nfs/dbraw/zinc/65/80/50/980658050.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 2 1 414.557 3.813 20 30 HHEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045333 989123477 /nfs/dbraw/zinc/12/34/77/989123477.db2.gz YXMVNKKQZFNQOS-DLBZAZTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045333 989123508 /nfs/dbraw/zinc/12/35/08/989123508.db2.gz YXMVNKKQZFNQOS-DLBZAZTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045333 989123517 /nfs/dbraw/zinc/12/35/17/989123517.db2.gz YXMVNKKQZFNQOS-DLBZAZTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045333 989123522 /nfs/dbraw/zinc/12/35/22/989123522.db2.gz YXMVNKKQZFNQOS-DLBZAZTESA-N 2 1 402.608 3.737 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056081 1000040092 /nfs/dbraw/zinc/04/00/92/1000040092.db2.gz IEYPSDOUQPISBO-XZOQPEGZSA-N 2 1 416.606 3.751 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056081 1000040094 /nfs/dbraw/zinc/04/00/94/1000040094.db2.gz IEYPSDOUQPISBO-XZOQPEGZSA-N 2 1 416.606 3.751 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000507603521 1002210770 /nfs/dbraw/zinc/21/07/70/1002210770.db2.gz JAUJXNQRDFBDCK-ZARIYHHDSA-N 2 1 403.570 3.863 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000507603521 1002210779 /nfs/dbraw/zinc/21/07/79/1002210779.db2.gz JAUJXNQRDFBDCK-ZARIYHHDSA-N 2 1 403.570 3.863 20 30 HHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000512176871 1004078546 /nfs/dbraw/zinc/07/85/46/1004078546.db2.gz FAFXJYYNWXGVMS-OYRHEFFESA-N 2 1 421.589 3.785 20 30 HHEDMP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501049567 1004151719 /nfs/dbraw/zinc/15/17/19/1004151719.db2.gz BNUQMMAXYKGSAF-UHFFFAOYSA-N 2 1 419.573 3.794 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535679137 1007706391 /nfs/dbraw/zinc/70/63/91/1007706391.db2.gz FHYDYEUBSZOIHJ-UHFFFAOYSA-N 2 1 402.542 3.875 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458900 1009042448 /nfs/dbraw/zinc/04/24/48/1009042448.db2.gz JKQSSUPFKLFMCV-HSALFYBXSA-N 2 1 412.578 3.573 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458900 1009042464 /nfs/dbraw/zinc/04/24/64/1009042464.db2.gz JKQSSUPFKLFMCV-HSALFYBXSA-N 2 1 412.578 3.573 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486437 1011698407 /nfs/dbraw/zinc/69/84/07/1011698407.db2.gz WWCSXYLZBIXEIH-UHFFFAOYSA-N 2 1 402.542 3.875 20 30 HHEDMP COc1ccccc1[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000537296561 1012754070 /nfs/dbraw/zinc/75/40/70/1012754070.db2.gz XJOZUTCARBPBRO-VWLOTQADSA-N 2 1 418.585 3.958 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000592490222 1074769249 /nfs/dbraw/zinc/76/92/49/1074769249.db2.gz FJUCXIULGNOBPC-QFIPXVFZSA-N 2 1 424.614 3.797 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000592490222 1074769257 /nfs/dbraw/zinc/76/92/57/1074769257.db2.gz FJUCXIULGNOBPC-QFIPXVFZSA-N 2 1 424.614 3.797 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043125 971472585 /nfs/dbraw/zinc/47/25/85/971472585.db2.gz SUENYBDRRDCBBV-DHIUTWEWSA-N 2 1 416.606 3.607 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043125 971472589 /nfs/dbraw/zinc/47/25/89/971472589.db2.gz SUENYBDRRDCBBV-DHIUTWEWSA-N 2 1 416.606 3.607 20 30 HHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000542154308 1013089688 /nfs/dbraw/zinc/08/96/88/1013089688.db2.gz NMOOMJKLAQOQJK-OAHLLOKOSA-N 2 1 421.607 3.889 20 30 HHEDMP C=C(C)COc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1OC ZINC000537621639 1013167758 /nfs/dbraw/zinc/16/77/58/1013167758.db2.gz AMJVDSYIFRTXLB-UHFFFAOYSA-N 2 1 401.595 3.641 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000110914040 969740385 /nfs/dbraw/zinc/74/03/85/969740385.db2.gz BEQXYOOVKBVNKA-DEOSSOPVSA-N 2 1 402.542 3.508 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1OC ZINC000304776397 972606452 /nfs/dbraw/zinc/60/64/52/972606452.db2.gz DBNAIZWZFWKTFA-UHFFFAOYSA-N 2 1 422.529 3.533 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1OC ZINC000304776397 972606463 /nfs/dbraw/zinc/60/64/63/972606463.db2.gz DBNAIZWZFWKTFA-UHFFFAOYSA-N 2 1 422.529 3.533 20 30 HHEDMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433013269 979041920 /nfs/dbraw/zinc/04/19/20/979041920.db2.gz WVPWJVILNHSOTJ-DEOSSOPVSA-N 2 1 404.558 3.664 20 30 HHEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131001 980662457 /nfs/dbraw/zinc/66/24/57/980662457.db2.gz AHQSRNZQKAPAFA-NHCUHLMSSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131001 980662462 /nfs/dbraw/zinc/66/24/62/980662462.db2.gz AHQSRNZQKAPAFA-NHCUHLMSSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131001 980662466 /nfs/dbraw/zinc/66/24/66/980662466.db2.gz AHQSRNZQKAPAFA-NHCUHLMSSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131001 980662469 /nfs/dbraw/zinc/66/24/69/980662469.db2.gz AHQSRNZQKAPAFA-NHCUHLMSSA-N 2 1 406.578 3.945 20 30 HHEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000438056104 982557770 /nfs/dbraw/zinc/55/77/70/982557770.db2.gz ZLCFEKNUXFJLNJ-OALUTQOASA-N 2 1 417.623 3.961 20 30 HHEDMP C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444675065 986857894 /nfs/dbraw/zinc/85/78/94/986857894.db2.gz QPBOMEQHFOUQKH-BVAGGSTKSA-N 2 1 416.613 3.844 20 30 HHEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471218492 989361720 /nfs/dbraw/zinc/36/17/20/989361720.db2.gz CDLUAELEWAEFCL-FQEVSTJZSA-N 2 1 404.558 3.579 20 30 HHEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000488309398 999433848 /nfs/dbraw/zinc/43/38/48/999433848.db2.gz DZLNOBCOKRKYSO-UHFFFAOYSA-N 2 1 404.986 3.949 20 30 HHEDMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510347073 1004498307 /nfs/dbraw/zinc/49/83/07/1004498307.db2.gz GOLFJXOFTUWBDK-UHFFFAOYSA-N 2 1 416.525 3.714 20 30 HHEDMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510347073 1004498313 /nfs/dbraw/zinc/49/83/13/1004498313.db2.gz GOLFJXOFTUWBDK-UHFFFAOYSA-N 2 1 416.525 3.714 20 30 HHEDMP CN(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1(C#N)CCCCC1 ZINC000534964059 1007014460 /nfs/dbraw/zinc/01/44/60/1007014460.db2.gz FNKKAPSLQHBSIC-UHFFFAOYSA-N 2 1 408.590 3.659 20 30 HHEDMP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1)CC1CC1 ZINC000540049199 1008258397 /nfs/dbraw/zinc/25/83/97/1008258397.db2.gz HWCCGLXZYVWPIV-FQEVSTJZSA-N 2 1 400.592 3.559 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1)CC1CC1 ZINC000540049199 1008258402 /nfs/dbraw/zinc/25/84/02/1008258402.db2.gz HWCCGLXZYVWPIV-FQEVSTJZSA-N 2 1 400.592 3.559 20 30 HHEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000520330755 1009463319 /nfs/dbraw/zinc/46/33/19/1009463319.db2.gz RADANUVHRGITBG-AREMUKBSSA-N 2 1 416.613 3.987 20 30 HHEDMP Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC3(CCC[N@H+]3C)CC2)c1C#N ZINC000544136100 1009745086 /nfs/dbraw/zinc/74/50/86/1009745086.db2.gz QBMJOGUHEWYQMK-UHFFFAOYSA-N 2 1 423.561 3.507 20 30 HHEDMP Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1C#N ZINC000544136100 1009745096 /nfs/dbraw/zinc/74/50/96/1009745096.db2.gz QBMJOGUHEWYQMK-UHFFFAOYSA-N 2 1 423.561 3.507 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000521240468 1010246838 /nfs/dbraw/zinc/24/68/38/1010246838.db2.gz UPXQLJOHXRYPLA-UHFFFAOYSA-N 2 1 424.511 3.573 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599719 1012393232 /nfs/dbraw/zinc/39/32/32/1012393232.db2.gz KMOWWZFJTQRJTM-PMPSAXMXSA-N 2 1 400.592 3.678 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599719 1012393242 /nfs/dbraw/zinc/39/32/42/1012393242.db2.gz KMOWWZFJTQRJTM-PMPSAXMXSA-N 2 1 400.592 3.678 20 30 HHEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601600 1012397010 /nfs/dbraw/zinc/39/70/10/1012397010.db2.gz IVPKBBHOYDQDMS-ZWKOTPCHSA-N 2 1 402.970 3.829 20 30 HHEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601600 1012397016 /nfs/dbraw/zinc/39/70/16/1012397016.db2.gz IVPKBBHOYDQDMS-ZWKOTPCHSA-N 2 1 402.970 3.829 20 30 HHEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601599 1012397409 /nfs/dbraw/zinc/39/74/09/1012397409.db2.gz IVPKBBHOYDQDMS-ROUUACIJSA-N 2 1 402.970 3.829 20 30 HHEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601599 1012397426 /nfs/dbraw/zinc/39/74/26/1012397426.db2.gz IVPKBBHOYDQDMS-ROUUACIJSA-N 2 1 402.970 3.829 20 30 HHEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)CC1 ZINC000303376799 971669330 /nfs/dbraw/zinc/66/93/30/971669330.db2.gz MVZGWCYYOYWWCB-UHFFFAOYSA-N 2 1 416.569 3.601 20 30 HHEDMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048121932 968439412 /nfs/dbraw/zinc/43/94/12/968439412.db2.gz ZUSVJJPHBMBDIY-UHFFFAOYSA-N 2 1 404.558 3.748 20 30 HHEDMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048121932 968439421 /nfs/dbraw/zinc/43/94/21/968439421.db2.gz ZUSVJJPHBMBDIY-UHFFFAOYSA-N 2 1 404.558 3.748 20 30 HHEDMP C=CCOc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000431412794 978283394 /nfs/dbraw/zinc/28/33/94/978283394.db2.gz HXTKVYMBNWQZHB-UHFFFAOYSA-N 2 1 414.594 3.911 20 30 HHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434861498 980454604 /nfs/dbraw/zinc/45/46/04/980454604.db2.gz NQYMSNSIAMDFNU-NRFANRHFSA-N 2 1 420.538 3.740 20 30 HHEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131002 980662366 /nfs/dbraw/zinc/66/23/66/980662366.db2.gz AHQSRNZQKAPAFA-RTWAWAEBSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131002 980662368 /nfs/dbraw/zinc/66/23/68/980662368.db2.gz AHQSRNZQKAPAFA-RTWAWAEBSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131002 980662372 /nfs/dbraw/zinc/66/23/72/980662372.db2.gz AHQSRNZQKAPAFA-RTWAWAEBSA-N 2 1 406.578 3.945 20 30 HHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131002 980662376 /nfs/dbraw/zinc/66/23/76/980662376.db2.gz AHQSRNZQKAPAFA-RTWAWAEBSA-N 2 1 406.578 3.945 20 30 HHEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000438135415 982606276 /nfs/dbraw/zinc/60/62/76/982606276.db2.gz APNACHXTGWTBIG-DEOSSOPVSA-N 2 1 423.605 3.573 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[NH+]3C3CCCCC3)CC2)cc1 ZINC000438135415 982606279 /nfs/dbraw/zinc/60/62/79/982606279.db2.gz APNACHXTGWTBIG-DEOSSOPVSA-N 2 1 423.605 3.573 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[NH+]3C3CCCCC3)CC2)cc1 ZINC000438135415 982606283 /nfs/dbraw/zinc/60/62/83/982606283.db2.gz APNACHXTGWTBIG-DEOSSOPVSA-N 2 1 423.605 3.573 20 30 HHEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846493 989096148 /nfs/dbraw/zinc/09/61/48/989096148.db2.gz JVFIIOWGGOBSRK-LJQANCHMSA-N 2 1 410.949 3.994 20 30 HHEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846493 989096159 /nfs/dbraw/zinc/09/61/59/989096159.db2.gz JVFIIOWGGOBSRK-LJQANCHMSA-N 2 1 410.949 3.994 20 30 HHEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846493 989096168 /nfs/dbraw/zinc/09/61/68/989096168.db2.gz JVFIIOWGGOBSRK-LJQANCHMSA-N 2 1 410.949 3.994 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476279841 996727998 /nfs/dbraw/zinc/72/79/98/996727998.db2.gz GTTXSEUZPIDRNL-HSZRJFAPSA-N 2 1 410.606 3.729 20 30 HHEDMP Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C#N ZINC000512540966 1004371116 /nfs/dbraw/zinc/37/11/16/1004371116.db2.gz BKTTVTGDDFWOCA-YOFSQIOKSA-N 2 1 423.561 3.504 20 30 HHEDMP Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC000512540966 1004371124 /nfs/dbraw/zinc/37/11/24/1004371124.db2.gz BKTTVTGDDFWOCA-YOFSQIOKSA-N 2 1 423.561 3.504 20 30 HHEDMP Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C#N ZINC000512540966 1004371132 /nfs/dbraw/zinc/37/11/32/1004371132.db2.gz BKTTVTGDDFWOCA-YOFSQIOKSA-N 2 1 423.561 3.504 20 30 HHEDMP CCC[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247159 1004423430 /nfs/dbraw/zinc/42/34/30/1004423430.db2.gz VWSACHMIVHNNST-UHFFFAOYSA-N 2 1 420.561 3.675 20 30 HHEDMP CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247159 1004423435 /nfs/dbraw/zinc/42/34/35/1004423435.db2.gz VWSACHMIVHNNST-UHFFFAOYSA-N 2 1 420.561 3.675 20 30 HHEDMP CC[C@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000516552349 1007151100 /nfs/dbraw/zinc/15/11/00/1007151100.db2.gz FEFWRPTXLSPYTQ-XMMPIXPASA-N 2 1 404.558 3.503 20 30 HHEDMP CC[C@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000516552349 1007151101 /nfs/dbraw/zinc/15/11/01/1007151101.db2.gz FEFWRPTXLSPYTQ-XMMPIXPASA-N 2 1 404.558 3.503 20 30 HHEDMP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000516552349 1007151103 /nfs/dbraw/zinc/15/11/03/1007151103.db2.gz FEFWRPTXLSPYTQ-XMMPIXPASA-N 2 1 404.558 3.503 20 30 HHEDMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)Cc1ccccc1 ZINC000516552349 1007151104 /nfs/dbraw/zinc/15/11/04/1007151104.db2.gz FEFWRPTXLSPYTQ-XMMPIXPASA-N 2 1 404.558 3.503 20 30 HHEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532922898 1007295444 /nfs/dbraw/zinc/29/54/44/1007295444.db2.gz BPSVJPWMPJSPQG-GOSISDBHSA-N 2 1 402.608 3.931 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719233 1011370994 /nfs/dbraw/zinc/37/09/94/1011370994.db2.gz PMUQXDIJCJHLAG-SFTDATJTSA-N 2 1 422.976 3.953 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719233 1011371006 /nfs/dbraw/zinc/37/10/06/1011371006.db2.gz PMUQXDIJCJHLAG-SFTDATJTSA-N 2 1 422.976 3.953 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541599716 1012393644 /nfs/dbraw/zinc/39/36/44/1012393644.db2.gz KMOWWZFJTQRJTM-JYJNAYRXSA-N 2 1 400.592 3.678 20 30 HHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541599716 1012393662 /nfs/dbraw/zinc/39/36/62/1012393662.db2.gz KMOWWZFJTQRJTM-JYJNAYRXSA-N 2 1 400.592 3.678 20 30 HHEDMP CC(C)(C#N)c1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000586779696 1072436481 /nfs/dbraw/zinc/43/64/81/1072436481.db2.gz LHYNEOLAODSYJQ-VWLOTQADSA-N 2 1 402.586 3.880 20 30 HHEDMP CC(C)(C#N)c1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000586779696 1072436482 /nfs/dbraw/zinc/43/64/82/1072436482.db2.gz LHYNEOLAODSYJQ-VWLOTQADSA-N 2 1 402.586 3.880 20 30 HHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863709 1072922250 /nfs/dbraw/zinc/92/22/50/1072922250.db2.gz VVNXIMGNNTUGTC-GBXCKJPGSA-N 2 1 407.558 3.657 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000592303763 1074720223 /nfs/dbraw/zinc/72/02/23/1074720223.db2.gz OFMMJIQDZHOTQI-UHFFFAOYSA-N 2 1 404.986 3.598 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000592303763 1074720230 /nfs/dbraw/zinc/72/02/30/1074720230.db2.gz OFMMJIQDZHOTQI-UHFFFAOYSA-N 2 1 404.986 3.598 20 30 HHEDMP CC(C)[N@H+](C)Cc1nn(-c2nc3cc(F)ccc3c(Cl)c2C#N)c2c1CC[NH2+]C2 ZINC001164680684 719651450 /nfs/dbraw/zinc/65/14/50/719651450.db2.gz HQNYRRDYUUCBDM-UHFFFAOYSA-N 2 1 412.900 3.571 20 30 HHEDMP CC(C)[N@@H+](C)Cc1nn(-c2nc3cc(F)ccc3c(Cl)c2C#N)c2c1CC[NH2+]C2 ZINC001164680684 719651459 /nfs/dbraw/zinc/65/14/59/719651459.db2.gz HQNYRRDYUUCBDM-UHFFFAOYSA-N 2 1 412.900 3.571 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1OC ZINC000303879014 972420547 /nfs/dbraw/zinc/42/05/47/972420547.db2.gz GJBOXFDLMZNCDH-GOSISDBHSA-N 2 1 402.926 3.921 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1OC ZINC000303879016 972420359 /nfs/dbraw/zinc/42/03/59/972420359.db2.gz GJBOXFDLMZNCDH-SFHVURJKSA-N 2 1 402.926 3.921 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OC ZINC000303907181 972477794 /nfs/dbraw/zinc/47/77/94/972477794.db2.gz WQPVJPYPDHUBAS-IBGZPJMESA-N 2 1 412.534 3.666 20 30 HHEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000305822572 972614825 /nfs/dbraw/zinc/61/48/25/972614825.db2.gz POJQIWVQIQWLBY-JOCHJYFZSA-N 2 1 416.525 3.972 20 30 HHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 ZINC000439597245 983465494 /nfs/dbraw/zinc/46/54/94/983465494.db2.gz NNNAZZVMPNAIGV-SFHVURJKSA-N 2 1 402.498 3.900 20 30 HHEDMP CN(CC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000444668278 986852083 /nfs/dbraw/zinc/85/20/83/986852083.db2.gz ZLHVQCVCJSTPEU-UHFFFAOYSA-N 2 1 404.602 3.844 20 30 HHEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844143 989093155 /nfs/dbraw/zinc/09/31/55/989093155.db2.gz DWLFIGPECJMESF-LJQANCHMSA-N 2 1 422.598 3.891 20 30 HHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844143 989093169 /nfs/dbraw/zinc/09/31/69/989093169.db2.gz DWLFIGPECJMESF-LJQANCHMSA-N 2 1 422.598 3.891 20 30 HHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844143 989093182 /nfs/dbraw/zinc/09/31/82/989093182.db2.gz DWLFIGPECJMESF-LJQANCHMSA-N 2 1 422.598 3.891 20 30 HHEDMP C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316542 996094734 /nfs/dbraw/zinc/09/47/34/996094734.db2.gz UVRCWLHQKCJVRZ-NQIIRXRSSA-N 2 1 408.537 3.640 20 30 HHEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488294 996213084 /nfs/dbraw/zinc/21/30/84/996213084.db2.gz JBFCBNINKDDCFX-QFBILLFUSA-N 2 1 400.592 3.633 20 30 HHEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488294 996213089 /nfs/dbraw/zinc/21/30/89/996213089.db2.gz JBFCBNINKDDCFX-QFBILLFUSA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488294 996213095 /nfs/dbraw/zinc/21/30/95/996213095.db2.gz JBFCBNINKDDCFX-QFBILLFUSA-N 2 1 400.592 3.633 20 30 HHEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488294 996213102 /nfs/dbraw/zinc/21/31/02/996213102.db2.gz JBFCBNINKDDCFX-QFBILLFUSA-N 2 1 400.592 3.633 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000475993834 996523819 /nfs/dbraw/zinc/52/38/19/996523819.db2.gz CFRMYPAKPCSPIB-UHFFFAOYSA-N 2 1 423.605 3.573 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332052 997747599 /nfs/dbraw/zinc/74/75/99/997747599.db2.gz PXHNKMBJQWLLAA-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000485332052 997747608 /nfs/dbraw/zinc/74/76/08/997747608.db2.gz PXHNKMBJQWLLAA-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000485332052 997747618 /nfs/dbraw/zinc/74/76/18/997747618.db2.gz PXHNKMBJQWLLAA-UPVQGACJSA-N 2 1 402.542 3.873 20 30 HHEDMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCCCC#N ZINC000512181244 1004083682 /nfs/dbraw/zinc/08/36/82/1004083682.db2.gz PLBZWSKGEGSKJG-BGYRXZFFSA-N 2 1 415.578 3.699 20 30 HHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501044010 1004145702 /nfs/dbraw/zinc/14/57/02/1004145702.db2.gz FRAWPLOTSPSTSL-UHFFFAOYSA-N 2 1 419.573 3.794 20 30 HHEDMP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000533289576 1007602288 /nfs/dbraw/zinc/60/22/88/1007602288.db2.gz QZVDKUJBVMXKBV-KRWDZBQOSA-N 2 1 400.592 3.777 20 30 HHEDMP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000533289576 1007602293 /nfs/dbraw/zinc/60/22/93/1007602293.db2.gz QZVDKUJBVMXKBV-KRWDZBQOSA-N 2 1 400.592 3.777 20 30 HHEDMP COC(=O)c1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC000535678727 1007704948 /nfs/dbraw/zinc/70/49/48/1007704948.db2.gz BLMOTOZBQYMYHM-UHFFFAOYSA-N 2 1 403.526 3.833 20 30 HHEDMP COC(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC000535678727 1007704956 /nfs/dbraw/zinc/70/49/56/1007704956.db2.gz BLMOTOZBQYMYHM-UHFFFAOYSA-N 2 1 403.526 3.833 20 30 HHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945766 1008531122 /nfs/dbraw/zinc/53/11/22/1008531122.db2.gz DWJPJKWBOLAYEV-HYBUGGRVSA-N 2 1 407.558 3.514 20 30 HHEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238195 1009796770 /nfs/dbraw/zinc/79/67/70/1009796770.db2.gz XFUDTCCJGXJVRV-QFIPXVFZSA-N 2 1 400.592 3.635 20 30 HHEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238195 1009796780 /nfs/dbraw/zinc/79/67/80/1009796780.db2.gz XFUDTCCJGXJVRV-QFIPXVFZSA-N 2 1 400.592 3.635 20 30 HHEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238195 1009796789 /nfs/dbraw/zinc/79/67/89/1009796789.db2.gz XFUDTCCJGXJVRV-QFIPXVFZSA-N 2 1 400.592 3.635 20 30 HHEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238195 1009796802 /nfs/dbraw/zinc/79/68/02/1009796802.db2.gz XFUDTCCJGXJVRV-QFIPXVFZSA-N 2 1 400.592 3.635 20 30 HHEDMP COc1cccc([C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)c1 ZINC000540596869 1011253146 /nfs/dbraw/zinc/25/31/46/1011253146.db2.gz GKYYMVVXWRLZSI-AREMUKBSSA-N 2 1 418.585 3.958 20 30 HHEDMP C[C@H](NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000303787213 972027001 /nfs/dbraw/zinc/02/70/01/972027001.db2.gz SGYMDTLCCPOJDT-HNNXBMFYSA-N 2 1 421.372 3.991 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)c2)CCO1 ZINC000303887080 972427569 /nfs/dbraw/zinc/42/75/69/972427569.db2.gz ODORYEACWVIPJY-HNNXBMFYSA-N 2 1 422.451 3.733 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)c2)CCO1 ZINC000303887080 972427576 /nfs/dbraw/zinc/42/75/76/972427576.db2.gz ODORYEACWVIPJY-HNNXBMFYSA-N 2 1 422.451 3.733 20 30 HHEDMP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n2c3ccccc3nc2c1C#N ZINC000301124453 970760303 /nfs/dbraw/zinc/76/03/03/970760303.db2.gz SJDOBJUQOOXCFN-UHFFFAOYSA-N 2 1 402.546 3.638 20 30 HHEDMP Cc1ccc([C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)o1 ZINC000304502810 972601572 /nfs/dbraw/zinc/60/15/72/972601572.db2.gz PXBMTUONUSCFSU-KRWDZBQOSA-N 2 1 410.440 3.728 20 30 HHEDMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433013271 979041857 /nfs/dbraw/zinc/04/18/57/979041857.db2.gz WVPWJVILNHSOTJ-XMMPIXPASA-N 2 1 404.558 3.664 20 30 HHEDMP N#Cc1ccc(N2CC[C@H]([N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)C2=O)cc1 ZINC000433175921 979119917 /nfs/dbraw/zinc/11/99/17/979119917.db2.gz NJFAKAZHAAORJX-DEOSSOPVSA-N 2 1 414.553 3.652 20 30 HHEDMP N#CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccncc2)n1 ZINC000433322106 979235432 /nfs/dbraw/zinc/23/54/32/979235432.db2.gz POEMGXIALCNDKS-LJQANCHMSA-N 2 1 420.586 3.922 20 30 HHEDMP N#CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccncc2)n1 ZINC000433322106 979235440 /nfs/dbraw/zinc/23/54/40/979235440.db2.gz POEMGXIALCNDKS-LJQANCHMSA-N 2 1 420.586 3.922 20 30 HHEDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870144 980459166 /nfs/dbraw/zinc/45/91/66/980459166.db2.gz PJQYFTLOVIFMGY-LAUBAEHRSA-N 2 1 408.571 3.747 20 30 HHEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870144 980459169 /nfs/dbraw/zinc/45/91/69/980459169.db2.gz PJQYFTLOVIFMGY-LAUBAEHRSA-N 2 1 408.571 3.747 20 30 HHEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341506 982113659 /nfs/dbraw/zinc/11/36/59/982113659.db2.gz BVXRBXLEGYKBEW-IAGOWNOFSA-N 2 1 410.949 3.896 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492040 996215886 /nfs/dbraw/zinc/21/58/86/996215886.db2.gz NTLKSURGNHHMDE-SFTDATJTSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483492040 996215889 /nfs/dbraw/zinc/21/58/89/996215889.db2.gz NTLKSURGNHHMDE-SFTDATJTSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492040 996215891 /nfs/dbraw/zinc/21/58/91/996215891.db2.gz NTLKSURGNHHMDE-SFTDATJTSA-N 2 1 408.571 3.935 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483492040 996215896 /nfs/dbraw/zinc/21/58/96/996215896.db2.gz NTLKSURGNHHMDE-SFTDATJTSA-N 2 1 408.571 3.935 20 30 HHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000477341277 998030403 /nfs/dbraw/zinc/03/04/03/998030403.db2.gz XHVOUFYLYOGMKZ-HXUWFJFHSA-N 2 1 413.610 3.532 20 30 HHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000512249010 1004152576 /nfs/dbraw/zinc/15/25/76/1004152576.db2.gz KSQPSUWCBWQQDV-IBGZPJMESA-N 2 1 402.558 3.905 20 30 HHEDMP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065868 1004168198 /nfs/dbraw/zinc/16/81/98/1004168198.db2.gz AFNUKNWZTWJMKG-LJQANCHMSA-N 2 1 423.536 3.704 20 30 HHEDMP COc1cc(C#N)ccc1OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534968177 1007023275 /nfs/dbraw/zinc/02/32/75/1007023275.db2.gz XVYUMXGCMITGLO-UHFFFAOYSA-N 2 1 405.542 3.934 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900355 1008172876 /nfs/dbraw/zinc/17/28/76/1008172876.db2.gz WYPINPFVNWUPAZ-VJTSUQJLSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900355 1008172880 /nfs/dbraw/zinc/17/28/80/1008172880.db2.gz WYPINPFVNWUPAZ-VJTSUQJLSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900353 1008173001 /nfs/dbraw/zinc/17/30/01/1008173001.db2.gz WYPINPFVNWUPAZ-PZUNEJSGSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900353 1008173006 /nfs/dbraw/zinc/17/30/06/1008173006.db2.gz WYPINPFVNWUPAZ-PZUNEJSGSA-N 2 1 405.542 3.821 20 30 HHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000549194561 1008767774 /nfs/dbraw/zinc/76/77/74/1008767774.db2.gz KXVNAGQCAUDWBB-BKSPAHHJSA-N 2 1 421.585 3.760 20 30 HHEDMP COc1ccccc1[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000551385200 1010553193 /nfs/dbraw/zinc/55/31/93/1010553193.db2.gz HVEAKYFUDLZNPL-FGZHOGPDSA-N 2 1 404.554 3.986 20 30 HHEDMP COc1ccccc1[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000537296556 1012753278 /nfs/dbraw/zinc/75/32/78/1012753278.db2.gz XJOZUTCARBPBRO-RUZDIDTESA-N 2 1 418.585 3.958 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587309911 1072568128 /nfs/dbraw/zinc/56/81/28/1072568128.db2.gz ZUAKKQHGRGTDMN-ZGXWSNOMSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000587309911 1072568142 /nfs/dbraw/zinc/56/81/42/1072568142.db2.gz ZUAKKQHGRGTDMN-ZGXWSNOMSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000587309911 1072568149 /nfs/dbraw/zinc/56/81/49/1072568149.db2.gz ZUAKKQHGRGTDMN-ZGXWSNOMSA-N 2 1 424.549 3.544 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565665 971859636 /nfs/dbraw/zinc/85/96/36/971859636.db2.gz INURLHVGXZQYLT-AKIFATBCSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565665 971859640 /nfs/dbraw/zinc/85/96/40/971859640.db2.gz INURLHVGXZQYLT-AKIFATBCSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565665 971859645 /nfs/dbraw/zinc/85/96/45/971859645.db2.gz INURLHVGXZQYLT-AKIFATBCSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565665 971859650 /nfs/dbraw/zinc/85/96/50/971859650.db2.gz INURLHVGXZQYLT-AKIFATBCSA-N 2 1 416.606 3.750 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)c2)CCO1 ZINC000305238998 972611663 /nfs/dbraw/zinc/61/16/63/972611663.db2.gz PKDJUKIVOAXQLF-HNNXBMFYSA-N 2 1 422.451 3.733 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)c2)CCO1 ZINC000305238998 972611669 /nfs/dbraw/zinc/61/16/69/972611669.db2.gz PKDJUKIVOAXQLF-HNNXBMFYSA-N 2 1 422.451 3.733 20 30 HHEDMP C[C@H](NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835862 972614885 /nfs/dbraw/zinc/61/48/85/972614885.db2.gz WSTYWRJMZUEKMN-KBXCAEBGSA-N 2 1 421.372 3.726 20 30 HHEDMP N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3[nH+]cc4n3CCCC4)CC1)CCC2 ZINC000434689903 980342181 /nfs/dbraw/zinc/34/21/81/980342181.db2.gz DAURFJUFZAOGLH-UHFFFAOYSA-N 2 1 423.586 3.849 20 30 HHEDMP CN(c1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000434985091 980550202 /nfs/dbraw/zinc/55/02/02/980550202.db2.gz FYEBOQJJGNEPPQ-SANMLTNESA-N 2 1 417.601 3.599 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482467165 995471087 /nfs/dbraw/zinc/47/10/87/995471087.db2.gz GZYLKDZTFYZQBZ-ISKFKSNPSA-N 2 1 410.606 3.723 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000477075333 997725806 /nfs/dbraw/zinc/72/58/06/997725806.db2.gz ZVPJIUBNAYDORY-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477075333 997725815 /nfs/dbraw/zinc/72/58/15/997725815.db2.gz ZVPJIUBNAYDORY-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000477075333 997725825 /nfs/dbraw/zinc/72/58/25/997725825.db2.gz ZVPJIUBNAYDORY-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)oc1C ZINC000478279585 998861274 /nfs/dbraw/zinc/86/12/74/998861274.db2.gz VOZMEBGKBLTUFL-UHFFFAOYSA-N 2 1 418.545 3.565 20 30 HHEDMP CCC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000506939954 1001605969 /nfs/dbraw/zinc/60/59/69/1001605969.db2.gz PRLHIMARIPHQKZ-UHFFFAOYSA-N 2 1 422.598 3.958 20 30 HHEDMP CCC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000506939954 1001605971 /nfs/dbraw/zinc/60/59/71/1001605971.db2.gz PRLHIMARIPHQKZ-UHFFFAOYSA-N 2 1 422.598 3.958 20 30 HHEDMP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081385 1004186503 /nfs/dbraw/zinc/18/65/03/1004186503.db2.gz PMWINGSUFFESBZ-MRXNPFEDSA-N 2 1 411.937 3.782 20 30 HHEDMP COC1CC[NH+](C2(CNC3CC[NH+](Cc4ccc(C#N)cc4)CC3)CCCC2)CC1 ZINC000538393782 1006662648 /nfs/dbraw/zinc/66/26/48/1006662648.db2.gz FOGSXXMSWAQCCJ-UHFFFAOYSA-N 2 1 410.606 3.536 20 30 HHEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000550983311 1010297232 /nfs/dbraw/zinc/29/72/32/1010297232.db2.gz PQOGWTLESMWCLC-UHFFFAOYSA-N 2 1 421.589 3.958 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cccc(C)c2)CC1 ZINC000555921833 1073960756 /nfs/dbraw/zinc/96/07/56/1073960756.db2.gz KOVKCUUADXWVDF-FTJBHMTQSA-N 2 1 417.597 3.977 20 30 HHEDMP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000524237834 1013047275 /nfs/dbraw/zinc/04/72/75/1013047275.db2.gz DLZWWAAEXSWQCA-NRFANRHFSA-N 2 1 405.542 3.728 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043127 971472982 /nfs/dbraw/zinc/47/29/82/971472982.db2.gz SUENYBDRRDCBBV-GOTSBHOMSA-N 2 1 416.606 3.607 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043127 971472987 /nfs/dbraw/zinc/47/29/87/971472987.db2.gz SUENYBDRRDCBBV-GOTSBHOMSA-N 2 1 416.606 3.607 20 30 HHEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000303774007 972019819 /nfs/dbraw/zinc/01/98/19/972019819.db2.gz FRZJHAVWNUYXEJ-FQEVSTJZSA-N 2 1 412.534 3.666 20 30 HHEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)[NH+]2CCCCC2)cc1 ZINC000303792109 972030878 /nfs/dbraw/zinc/03/08/78/972030878.db2.gz YCKJTFKVEINSON-NRFANRHFSA-N 2 1 412.534 3.666 20 30 HHEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000303878189 972419305 /nfs/dbraw/zinc/41/93/05/972419305.db2.gz FVOCXARGQSDTNN-KDURUIRLSA-N 2 1 424.589 3.786 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OC ZINC000303907183 972478257 /nfs/dbraw/zinc/47/82/57/972478257.db2.gz WQPVJPYPDHUBAS-LJQANCHMSA-N 2 1 412.534 3.666 20 30 HHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000303986716 972569409 /nfs/dbraw/zinc/56/94/09/972569409.db2.gz URXIJPNJMCHVOO-LJQANCHMSA-N 2 1 400.523 3.949 20 30 HHEDMP COc1ccc([C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000304515194 972602517 /nfs/dbraw/zinc/60/25/17/972602517.db2.gz YOYZGJNKRVAZRU-YADHBBJMSA-N 2 1 408.546 3.650 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644317 972613030 /nfs/dbraw/zinc/61/30/30/972613030.db2.gz CBDJPBVBVNFDDL-VLIAUNLRSA-N 2 1 420.916 3.916 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706728 972613353 /nfs/dbraw/zinc/61/33/53/972613353.db2.gz WGDQBTIBUAOPKS-LAUBAEHRSA-N 2 1 418.944 3.628 20 30 HHEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000305822573 972615069 /nfs/dbraw/zinc/61/50/69/972615069.db2.gz POJQIWVQIQWLBY-QFIPXVFZSA-N 2 1 416.525 3.972 20 30 HHEDMP CN(C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1(C#N)CCCCC1 ZINC000433171683 979116652 /nfs/dbraw/zinc/11/66/52/979116652.db2.gz BZQNKGPOMNSTMK-UHFFFAOYSA-N 2 1 408.590 3.659 20 30 HHEDMP C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000437900322 982448924 /nfs/dbraw/zinc/44/89/24/982448924.db2.gz YLZXHEANRJELRD-UHFFFAOYSA-N 2 1 400.473 3.694 20 30 HHEDMP C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000437900322 982448926 /nfs/dbraw/zinc/44/89/26/982448926.db2.gz YLZXHEANRJELRD-UHFFFAOYSA-N 2 1 400.473 3.694 20 30 HHEDMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1)Cc1ccccc1 ZINC000439454593 983417695 /nfs/dbraw/zinc/41/76/95/983417695.db2.gz SDWZPEZBEZLRHR-UHFFFAOYSA-N 2 1 424.976 3.672 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228587 /nfs/dbraw/zinc/22/85/87/984228587.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228597 /nfs/dbraw/zinc/22/85/97/984228597.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228603 /nfs/dbraw/zinc/22/86/03/984228603.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228609 /nfs/dbraw/zinc/22/86/09/984228609.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 2 1 412.603 3.776 20 30 HHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482635920 995630225 /nfs/dbraw/zinc/63/02/25/995630225.db2.gz VCGMXGCSEFFJQO-IBGZPJMESA-N 2 1 405.608 3.552 20 30 HHEDMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000477341204 998029287 /nfs/dbraw/zinc/02/92/87/998029287.db2.gz XHVOUFYLYOGMKZ-FQEVSTJZSA-N 2 1 413.610 3.532 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056077 1000040002 /nfs/dbraw/zinc/04/00/02/1000040002.db2.gz IEYPSDOUQPISBO-DHIUTWEWSA-N 2 1 416.606 3.751 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056077 1000040004 /nfs/dbraw/zinc/04/00/04/1000040004.db2.gz IEYPSDOUQPISBO-DHIUTWEWSA-N 2 1 416.606 3.751 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1)CC1CC1 ZINC000492935322 1000149773 /nfs/dbraw/zinc/14/97/73/1000149773.db2.gz GEZKPMFBCOXKKA-DEOSSOPVSA-N 2 1 408.590 3.888 20 30 HHEDMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCOC)Cc2ccc(C#N)cc2)CC1 ZINC000508529097 1003007174 /nfs/dbraw/zinc/00/71/74/1003007174.db2.gz RKSBSPZUBTVUAB-UHFFFAOYSA-N 2 1 406.574 3.739 20 30 HHEDMP COc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1C#N ZINC000509040729 1003509975 /nfs/dbraw/zinc/50/99/75/1003509975.db2.gz VENWLSNKWZLQFQ-UHFFFAOYSA-N 2 1 408.546 3.684 20 30 HHEDMP COc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1C#N ZINC000509040729 1003509970 /nfs/dbraw/zinc/50/99/70/1003509970.db2.gz VENWLSNKWZLQFQ-UHFFFAOYSA-N 2 1 408.546 3.684 20 30 HHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501079140 1004184577 /nfs/dbraw/zinc/18/45/77/1004184577.db2.gz RXFLUQYBXMEEFJ-IBGZPJMESA-N 2 1 412.603 3.895 20 30 HHEDMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081384 1004186738 /nfs/dbraw/zinc/18/67/38/1004186738.db2.gz PMWINGSUFFESBZ-INIZCTEOSA-N 2 1 411.937 3.782 20 30 HHEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C[C@H]1C ZINC000538454067 1006723793 /nfs/dbraw/zinc/72/37/93/1006723793.db2.gz ITRASSADMSYPCM-BGYRXZFFSA-N 2 1 417.557 3.505 20 30 HHEDMP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1)CC(C)C ZINC000540198959 1008332779 /nfs/dbraw/zinc/33/27/79/1008332779.db2.gz NDDOUTBHIZMZCI-HXUWFJFHSA-N 2 1 402.608 3.805 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1)CC(C)C ZINC000540198959 1008332781 /nfs/dbraw/zinc/33/27/81/1008332781.db2.gz NDDOUTBHIZMZCI-HXUWFJFHSA-N 2 1 402.608 3.805 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458888 1009041957 /nfs/dbraw/zinc/04/19/57/1009041957.db2.gz JKQSSUPFKLFMCV-AABGKKOBSA-N 2 1 412.578 3.573 20 30 HHEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458888 1009041972 /nfs/dbraw/zinc/04/19/72/1009041972.db2.gz JKQSSUPFKLFMCV-AABGKKOBSA-N 2 1 412.578 3.573 20 30 HHEDMP C=C(C)COc1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1OC ZINC000521832877 1010645755 /nfs/dbraw/zinc/64/57/55/1010645755.db2.gz KXILFXFUAFWEAD-QHCPKHFHSA-N 2 1 409.574 3.728 20 30 HHEDMP CC(C)(C)[NH+]1CCCN(c2nc(N3CCC[N@H+](C(C)(C)C)CC3)ccc2C#N)CC1 ZINC000555871544 1073916367 /nfs/dbraw/zinc/91/63/67/1073916367.db2.gz RKOGXSWBKDSGEC-UHFFFAOYSA-N 2 1 412.626 3.574 20 30 HHEDMP CC(C)(C)[NH+]1CCCN(c2ccc(C#N)c(N3CCC[N@@H+](C(C)(C)C)CC3)n2)CC1 ZINC000555871544 1073916370 /nfs/dbraw/zinc/91/63/70/1073916370.db2.gz RKOGXSWBKDSGEC-UHFFFAOYSA-N 2 1 412.626 3.574 20 30 HHEDMP CC(C)(C)[NH+]1CCCN(c2ccc(C#N)c(N3CCC[N@H+](C(C)(C)C)CC3)n2)CC1 ZINC000555871544 1073916374 /nfs/dbraw/zinc/91/63/74/1073916374.db2.gz RKOGXSWBKDSGEC-UHFFFAOYSA-N 2 1 412.626 3.574 20 30 HHEDMP CCC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000051855292 964723543 /nfs/dbraw/zinc/72/35/43/964723543.db2.gz VFDIWZWBBCJRAJ-UHFFFAOYSA-N 2 1 418.585 3.860 20 30 HHEDMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433012488 979041420 /nfs/dbraw/zinc/04/14/20/979041420.db2.gz TWPMRMURKGILQE-ZJSXRUAMSA-N 2 1 404.558 3.917 20 30 HHEDMP Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000434690940 980343155 /nfs/dbraw/zinc/34/31/55/980343155.db2.gz LTCWJGVHKAPFGC-UHFFFAOYSA-N 2 1 400.530 3.871 20 30 HHEDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870452 980459121 /nfs/dbraw/zinc/45/91/21/980459121.db2.gz QPQGBCZTUOFMDY-LAUBAEHRSA-N 2 1 408.571 3.889 20 30 HHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870452 980459125 /nfs/dbraw/zinc/45/91/25/980459125.db2.gz QPQGBCZTUOFMDY-LAUBAEHRSA-N 2 1 408.571 3.889 20 30 HHEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000438056108 982557555 /nfs/dbraw/zinc/55/75/55/982557555.db2.gz ZLCFEKNUXFJLNJ-RTBURBONSA-N 2 1 417.623 3.961 20 30 HHEDMP C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444675066 986858068 /nfs/dbraw/zinc/85/80/68/986858068.db2.gz QPBOMEQHFOUQKH-JYFHCDHNSA-N 2 1 416.613 3.844 20 30 HHEDMP C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000444688533 986866797 /nfs/dbraw/zinc/86/67/97/986866797.db2.gz ZOIGLELKYYFIGP-QHCPKHFHSA-N 2 1 416.613 3.987 20 30 HHEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000464773477 988998357 /nfs/dbraw/zinc/99/83/57/988998357.db2.gz JGHYFXKMANZTRF-DLBZAZTESA-N 2 1 402.608 3.737 20 30 HHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000464773477 988998364 /nfs/dbraw/zinc/99/83/64/988998364.db2.gz JGHYFXKMANZTRF-DLBZAZTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045334 989123561 /nfs/dbraw/zinc/12/35/61/989123561.db2.gz YXMVNKKQZFNQOS-IAGOWNOFSA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045334 989123566 /nfs/dbraw/zinc/12/35/66/989123566.db2.gz YXMVNKKQZFNQOS-IAGOWNOFSA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045334 989123573 /nfs/dbraw/zinc/12/35/73/989123573.db2.gz YXMVNKKQZFNQOS-IAGOWNOFSA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045334 989123580 /nfs/dbraw/zinc/12/35/80/989123580.db2.gz YXMVNKKQZFNQOS-IAGOWNOFSA-N 2 1 402.608 3.737 20 30 HHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224180 989367104 /nfs/dbraw/zinc/36/71/04/989367104.db2.gz YALZOUVUMUQYJD-APWZRJJASA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224180 989367117 /nfs/dbraw/zinc/36/71/17/989367117.db2.gz YALZOUVUMUQYJD-APWZRJJASA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224180 989367125 /nfs/dbraw/zinc/36/71/25/989367125.db2.gz YALZOUVUMUQYJD-APWZRJJASA-N 2 1 402.608 3.879 20 30 HHEDMP C=CCOc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)(C)C)cc1 ZINC000474154001 995136806 /nfs/dbraw/zinc/13/68/06/995136806.db2.gz PAMLPAWACKDKIH-UHFFFAOYSA-N 2 1 401.595 3.841 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000482467167 995470835 /nfs/dbraw/zinc/47/08/35/995470835.db2.gz GZYLKDZTFYZQBZ-LADGPHEKSA-N 2 1 410.606 3.723 20 30 HHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476279842 996727979 /nfs/dbraw/zinc/72/79/79/996727979.db2.gz GTTXSEUZPIDRNL-QHCPKHFHSA-N 2 1 410.606 3.729 20 30 HHEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237567 997618858 /nfs/dbraw/zinc/61/88/58/997618858.db2.gz ZWBNPCBZNIDHTM-BPUDTRNYSA-N 2 1 402.542 3.554 20 30 HHEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237567 997618863 /nfs/dbraw/zinc/61/88/63/997618863.db2.gz ZWBNPCBZNIDHTM-BPUDTRNYSA-N 2 1 402.542 3.554 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000477043948 997679431 /nfs/dbraw/zinc/67/94/31/997679431.db2.gz ODJVVKBQMPUFMD-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000477043948 997679435 /nfs/dbraw/zinc/67/94/35/997679435.db2.gz ODJVVKBQMPUFMD-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000477043948 997679441 /nfs/dbraw/zinc/67/94/41/997679441.db2.gz ODJVVKBQMPUFMD-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@@H](C)O1 ZINC000492696214 1000139579 /nfs/dbraw/zinc/13/95/79/1000139579.db2.gz MVJFQUIOBFVLAM-HZPDHXFCSA-N 2 1 406.368 3.642 20 30 HHEDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000512272718 1004174572 /nfs/dbraw/zinc/17/45/72/1004174572.db2.gz UKVFQJXHOVJYAG-MRXNPFEDSA-N 2 1 402.608 3.879 20 30 HHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000512272718 1004174581 /nfs/dbraw/zinc/17/45/81/1004174581.db2.gz UKVFQJXHOVJYAG-MRXNPFEDSA-N 2 1 402.608 3.879 20 30 HHEDMP Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000532487076 1006927705 /nfs/dbraw/zinc/92/77/05/1006927705.db2.gz RGBPZESEIAVGAZ-UHFFFAOYSA-N 2 1 407.562 3.568 20 30 HHEDMP C=CCc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc(OC)c1O ZINC000539825938 1008120940 /nfs/dbraw/zinc/12/09/40/1008120940.db2.gz YPDPTAIWICXHAN-UHFFFAOYSA-N 2 1 415.622 3.757 20 30 HHEDMP C=CCc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC000539825938 1008120944 /nfs/dbraw/zinc/12/09/44/1008120944.db2.gz YPDPTAIWICXHAN-UHFFFAOYSA-N 3 1 415.622 3.757 20 30 HHEDMP C=CCc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC000539825938 1008120949 /nfs/dbraw/zinc/12/09/49/1008120949.db2.gz YPDPTAIWICXHAN-UHFFFAOYSA-N 3 1 415.622 3.757 20 30 HHEDMP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000540596805 1011252758 /nfs/dbraw/zinc/25/27/58/1011252758.db2.gz IWBYJZJGFMGRMD-UHFFFAOYSA-N 2 1 402.586 3.819 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719022 1011370437 /nfs/dbraw/zinc/37/04/37/1011370437.db2.gz PMUQXDIJCJHLAG-NHCUHLMSSA-N 2 1 422.976 3.953 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599718 1012394550 /nfs/dbraw/zinc/39/45/50/1012394550.db2.gz KMOWWZFJTQRJTM-OWCLPIDISA-N 2 1 400.592 3.678 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599718 1012394567 /nfs/dbraw/zinc/39/45/67/1012394567.db2.gz KMOWWZFJTQRJTM-OWCLPIDISA-N 2 1 400.592 3.678 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000303789744 972028856 /nfs/dbraw/zinc/02/88/56/972028856.db2.gz VRLXNEMYMTUINL-IBGZPJMESA-N 2 1 424.589 3.725 20 30 HHEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000537841985 1013403339 /nfs/dbraw/zinc/40/33/39/1013403339.db2.gz QVACUKWARJOMFM-KRWDZBQOSA-N 2 1 409.534 3.729 20 30 HHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000537841552 1013403416 /nfs/dbraw/zinc/40/34/16/1013403416.db2.gz PPGVDEXEDBATSD-UHFFFAOYSA-N 2 1 411.937 3.784 20 30 HHEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140191 965307162 /nfs/dbraw/zinc/30/71/62/965307162.db2.gz QSYORULOJCPVNQ-RUZDIDTESA-N 2 1 416.569 3.505 20 30 HHEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140191 965307172 /nfs/dbraw/zinc/30/71/72/965307172.db2.gz QSYORULOJCPVNQ-RUZDIDTESA-N 2 1 416.569 3.505 20 30 HHEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140191 965307184 /nfs/dbraw/zinc/30/71/84/965307184.db2.gz QSYORULOJCPVNQ-RUZDIDTESA-N 2 1 416.569 3.505 20 30 HHEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140191 965307194 /nfs/dbraw/zinc/30/71/94/965307194.db2.gz QSYORULOJCPVNQ-RUZDIDTESA-N 2 1 416.569 3.505 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000110914035 969740714 /nfs/dbraw/zinc/74/07/14/969740714.db2.gz BEQXYOOVKBVNKA-XMMPIXPASA-N 2 1 402.542 3.508 20 30 HHEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000305199116 972609811 /nfs/dbraw/zinc/60/98/11/972609811.db2.gz FDECZUBZINUBGB-KRWDZBQOSA-N 2 1 406.452 3.876 20 30 HHEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710290 972613448 /nfs/dbraw/zinc/61/34/48/972613448.db2.gz XIIBTPKWQXIODP-XOBRGWDASA-N 2 1 420.916 3.916 20 30 HHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180805 979124156 /nfs/dbraw/zinc/12/41/56/979124156.db2.gz YVGLPHSKATWYID-FQEVSTJZSA-N 2 1 402.542 3.873 20 30 HHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180805 979124162 /nfs/dbraw/zinc/12/41/62/979124162.db2.gz YVGLPHSKATWYID-FQEVSTJZSA-N 2 1 402.542 3.873 20 30 HHEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)CC1 ZINC000435132534 980663277 /nfs/dbraw/zinc/66/32/77/980663277.db2.gz JZUSAEPAIYTLKE-NRFANRHFSA-N 2 1 406.578 3.803 20 30 HHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)CC1 ZINC000435132534 980663279 /nfs/dbraw/zinc/66/32/79/980663279.db2.gz JZUSAEPAIYTLKE-NRFANRHFSA-N 2 1 406.578 3.803 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341504 982113751 /nfs/dbraw/zinc/11/37/51/982113751.db2.gz BVXRBXLEGYKBEW-DTVZVWBHSA-N 2 1 410.949 3.896 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341504 982113754 /nfs/dbraw/zinc/11/37/54/982113754.db2.gz BVXRBXLEGYKBEW-DTVZVWBHSA-N 2 1 410.949 3.896 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784789 985719928 /nfs/dbraw/zinc/71/99/28/985719928.db2.gz JYSDEYHJTWSKFI-JYRKZWEQSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784789 985719938 /nfs/dbraw/zinc/71/99/38/985719938.db2.gz JYSDEYHJTWSKFI-JYRKZWEQSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784789 985719942 /nfs/dbraw/zinc/71/99/42/985719942.db2.gz JYSDEYHJTWSKFI-JYRKZWEQSA-N 2 1 424.549 3.544 20 30 HHEDMP N#Cc1cccnc1OC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463279513 986246723 /nfs/dbraw/zinc/24/67/23/986246723.db2.gz GDUNBMQSKKRHED-UHFFFAOYSA-N 2 1 404.558 3.940 20 30 HHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000481934589 994806933 /nfs/dbraw/zinc/80/69/33/994806933.db2.gz VAWVLXQNJKXGBH-UKILVPOCSA-N 2 1 416.569 3.813 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475743152 996342223 /nfs/dbraw/zinc/34/22/23/996342223.db2.gz DXFZBVDTTBTDGO-QHCPKHFHSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475743152 996342227 /nfs/dbraw/zinc/34/22/27/996342227.db2.gz DXFZBVDTTBTDGO-QHCPKHFHSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475743152 996342234 /nfs/dbraw/zinc/34/22/34/996342234.db2.gz DXFZBVDTTBTDGO-QHCPKHFHSA-N 2 1 408.571 3.936 20 30 HHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475743152 996342241 /nfs/dbraw/zinc/34/22/41/996342241.db2.gz DXFZBVDTTBTDGO-QHCPKHFHSA-N 2 1 408.571 3.936 20 30 HHEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081994 1004186622 /nfs/dbraw/zinc/18/66/22/1004186622.db2.gz QHGHJIQCCDOXBX-FQEVSTJZSA-N 2 1 405.546 3.565 20 30 HHEDMP CC(C)(C#N)c1ccccc1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512455678 1004316198 /nfs/dbraw/zinc/31/61/98/1004316198.db2.gz ICGDBJIHNJWZCM-XMMPIXPASA-N 2 1 402.586 3.880 20 30 HHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512455678 1004316207 /nfs/dbraw/zinc/31/62/07/1004316207.db2.gz ICGDBJIHNJWZCM-XMMPIXPASA-N 2 1 402.586 3.880 20 30 HHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512455678 1004316215 /nfs/dbraw/zinc/31/62/15/1004316215.db2.gz ICGDBJIHNJWZCM-XMMPIXPASA-N 2 1 402.586 3.880 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000514094157 1005262364 /nfs/dbraw/zinc/26/23/64/1005262364.db2.gz MBSLLKOUTKWFQE-OYRHEFFESA-N 2 1 418.585 3.926 20 30 HHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000503053222 1005329200 /nfs/dbraw/zinc/32/92/00/1005329200.db2.gz ZWNPCCFAGCDDRP-UHFFFAOYSA-N 2 1 410.566 3.947 20 30 HHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000503053222 1005329204 /nfs/dbraw/zinc/32/92/04/1005329204.db2.gz ZWNPCCFAGCDDRP-UHFFFAOYSA-N 2 1 410.566 3.947 20 30 HHEDMP C[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CCC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825400 1007210173 /nfs/dbraw/zinc/21/01/73/1007210173.db2.gz NQVMTWAKIWBCLO-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CCC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825400 1007210185 /nfs/dbraw/zinc/21/01/85/1007210185.db2.gz NQVMTWAKIWBCLO-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1ccc(C#N)cc1)[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825400 1007210195 /nfs/dbraw/zinc/21/01/95/1007210195.db2.gz NQVMTWAKIWBCLO-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[NH+](CCOc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000532825400 1007210207 /nfs/dbraw/zinc/21/02/07/1007210207.db2.gz NQVMTWAKIWBCLO-QHCPKHFHSA-N 2 1 418.541 3.674 20 30 HHEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532926037 1007298262 /nfs/dbraw/zinc/29/82/62/1007298262.db2.gz IELKGOGTIROXMC-MRXNPFEDSA-N 2 1 402.608 3.879 20 30 HHEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533276218 1007588486 /nfs/dbraw/zinc/58/84/86/1007588486.db2.gz MEHMNGWJFOXJAW-UHFFFAOYSA-N 2 1 410.949 3.994 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533276218 1007588495 /nfs/dbraw/zinc/58/84/95/1007588495.db2.gz MEHMNGWJFOXJAW-UHFFFAOYSA-N 2 1 410.949 3.994 20 30 HHEDMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860020 1009037823 /nfs/dbraw/zinc/03/78/23/1009037823.db2.gz RKYOYPGJTNKWKP-DNQXCXABSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860020 1009037839 /nfs/dbraw/zinc/03/78/39/1009037839.db2.gz RKYOYPGJTNKWKP-DNQXCXABSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860020 1009037847 /nfs/dbraw/zinc/03/78/47/1009037847.db2.gz RKYOYPGJTNKWKP-DNQXCXABSA-N 2 1 411.553 3.913 20 30 HHEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795859 /nfs/dbraw/zinc/79/58/59/1009795859.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 2 1 400.592 3.635 20 30 HHEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795886 /nfs/dbraw/zinc/79/58/86/1009795886.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 2 1 400.592 3.635 20 30 HHEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795898 /nfs/dbraw/zinc/79/58/98/1009795898.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 2 1 400.592 3.635 20 30 HHEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795907 /nfs/dbraw/zinc/79/59/07/1009795907.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 2 1 400.592 3.635 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000552248665 1012260011 /nfs/dbraw/zinc/26/00/11/1012260011.db2.gz OLRSFFPSDZGUQC-FQEVSTJZSA-N 2 1 404.558 3.538 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000552248665 1012260023 /nfs/dbraw/zinc/26/00/23/1012260023.db2.gz OLRSFFPSDZGUQC-FQEVSTJZSA-N 2 1 404.558 3.538 20 30 HHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863711 1072922325 /nfs/dbraw/zinc/92/23/25/1072922325.db2.gz VVNXIMGNNTUGTC-HYBUGGRVSA-N 2 1 407.558 3.657 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565672 971859780 /nfs/dbraw/zinc/85/97/80/971859780.db2.gz INURLHVGXZQYLT-YMPZKCBVSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565672 971859782 /nfs/dbraw/zinc/85/97/82/971859782.db2.gz INURLHVGXZQYLT-YMPZKCBVSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565672 971859786 /nfs/dbraw/zinc/85/97/86/971859786.db2.gz INURLHVGXZQYLT-YMPZKCBVSA-N 2 1 416.606 3.750 20 30 HHEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565672 971859789 /nfs/dbraw/zinc/85/97/89/971859789.db2.gz INURLHVGXZQYLT-YMPZKCBVSA-N 2 1 416.606 3.750 20 30 HHEDMP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)c2)c1 ZINC000303659742 971938461 /nfs/dbraw/zinc/93/84/61/971938461.db2.gz ATMMSTHCLSWPEE-QHCPKHFHSA-N 2 1 405.542 3.728 20 30 HHEDMP C[C@@H](NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303776717 972021250 /nfs/dbraw/zinc/02/12/50/972021250.db2.gz IATJXYKGIDPWIU-OAHLLOKOSA-N 2 1 421.372 3.991 20 30 HHEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)c1cccc(OC)c1 ZINC000303780852 972024036 /nfs/dbraw/zinc/02/40/36/972024036.db2.gz LTADEYQSYLUPHA-FQEVSTJZSA-N 2 1 400.523 3.522 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000303906451 972477065 /nfs/dbraw/zinc/47/70/65/972477065.db2.gz WBRHZZXJSHGFTP-FQEVSTJZSA-N 2 1 412.534 3.666 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531736 1013475326 /nfs/dbraw/zinc/47/53/26/1013475326.db2.gz KTHZKXWAAPDUAA-WOJBJXKFSA-N 2 1 412.578 3.575 20 30 HHEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000542531736 1013475327 /nfs/dbraw/zinc/47/53/27/1013475327.db2.gz KTHZKXWAAPDUAA-WOJBJXKFSA-N 2 1 412.578 3.575 20 30 HHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@H]1c1cccs1 ZINC000304793217 972606953 /nfs/dbraw/zinc/60/69/53/972606953.db2.gz LLWQPMMLELDHBE-QRWLVFNGSA-N 2 1 400.548 3.719 20 30 HHEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644319 972613297 /nfs/dbraw/zinc/61/32/97/972613297.db2.gz CBDJPBVBVNFDDL-XOBRGWDASA-N 2 1 420.916 3.916 20 30 HHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000429259419 976547737 /nfs/dbraw/zinc/54/77/37/976547737.db2.gz YAMYJSZHZSEULO-UHFFFAOYSA-N 2 1 413.591 3.998 20 30 HHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000429259419 976547744 /nfs/dbraw/zinc/54/77/44/976547744.db2.gz YAMYJSZHZSEULO-UHFFFAOYSA-N 2 1 413.591 3.998 20 30 HHEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000433299308 979223643 /nfs/dbraw/zinc/22/36/43/979223643.db2.gz BMTGVJYMCRVTKU-UHFFFAOYSA-N 2 1 400.530 3.613 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463193876 986166068 /nfs/dbraw/zinc/16/60/68/986166068.db2.gz PSLGKIQCOLHDJJ-FVXAFIASSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463193876 986166076 /nfs/dbraw/zinc/16/60/76/986166076.db2.gz PSLGKIQCOLHDJJ-FVXAFIASSA-N 2 1 416.650 3.801 20 30 HHEDMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463193876 986166079 /nfs/dbraw/zinc/16/60/79/986166079.db2.gz PSLGKIQCOLHDJJ-FVXAFIASSA-N 2 1 416.650 3.801 20 30 HHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000481934583 994806885 /nfs/dbraw/zinc/80/68/85/994806885.db2.gz VAWVLXQNJKXGBH-ILBGXUMGSA-N 2 1 416.569 3.813 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332047 997746464 /nfs/dbraw/zinc/74/64/64/997746464.db2.gz PXHNKMBJQWLLAA-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000485332047 997746469 /nfs/dbraw/zinc/74/64/69/997746469.db2.gz PXHNKMBJQWLLAA-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000485332047 997746474 /nfs/dbraw/zinc/74/64/74/997746474.db2.gz PXHNKMBJQWLLAA-ISKFKSNPSA-N 2 1 402.542 3.873 20 30 HHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000479947456 999658952 /nfs/dbraw/zinc/65/89/52/999658952.db2.gz IDLQYIZOBFUDMI-UHFFFAOYSA-N 2 1 400.461 3.882 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1)CC1CC1 ZINC000492935323 1000149844 /nfs/dbraw/zinc/14/98/44/1000149844.db2.gz GEZKPMFBCOXKKA-XMMPIXPASA-N 2 1 408.590 3.888 20 30 HHEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501046173 1004147286 /nfs/dbraw/zinc/14/72/86/1004147286.db2.gz LLYPTLGDNPPQEU-FQEVSTJZSA-N 2 1 416.367 3.617 20 30 HHEDMP CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510240735 1004418345 /nfs/dbraw/zinc/41/83/45/1004418345.db2.gz HQYMJTUSOWGWGU-UHFFFAOYSA-N 2 1 420.561 3.675 20 30 HHEDMP CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510240735 1004418354 /nfs/dbraw/zinc/41/83/54/1004418354.db2.gz HQYMJTUSOWGWGU-UHFFFAOYSA-N 2 1 420.561 3.675 20 30 HHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000503048899 1005327609 /nfs/dbraw/zinc/32/76/09/1005327609.db2.gz QQVXJPHLSUUABY-UHFFFAOYSA-N 2 1 422.508 3.570 20 30 HHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000503048899 1005327614 /nfs/dbraw/zinc/32/76/14/1005327614.db2.gz QQVXJPHLSUUABY-UHFFFAOYSA-N 2 1 422.508 3.570 20 30 HHEDMP N#Cc1cccc(NC(=O)CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534965795 1007017618 /nfs/dbraw/zinc/01/76/18/1007017618.db2.gz KZWCPPQVUATPPQ-UHFFFAOYSA-N 2 1 402.542 3.875 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517983954 1008086593 /nfs/dbraw/zinc/08/65/93/1008086593.db2.gz FMNBKXFBJWTRIX-NRFANRHFSA-N 2 1 409.496 3.598 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896552 1008170796 /nfs/dbraw/zinc/17/07/96/1008170796.db2.gz NFLCJKRFOGGCCZ-VJTSUQJLSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896552 1008170809 /nfs/dbraw/zinc/17/08/09/1008170809.db2.gz NFLCJKRFOGGCCZ-VJTSUQJLSA-N 2 1 405.542 3.821 20 30 HHEDMP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860009 1009037343 /nfs/dbraw/zinc/03/73/43/1009037343.db2.gz RKYOYPGJTNKWKP-BJKOFHAPSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860009 1009037363 /nfs/dbraw/zinc/03/73/63/1009037363.db2.gz RKYOYPGJTNKWKP-BJKOFHAPSA-N 2 1 411.553 3.913 20 30 HHEDMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860009 1009037386 /nfs/dbraw/zinc/03/73/86/1009037386.db2.gz RKYOYPGJTNKWKP-BJKOFHAPSA-N 2 1 411.553 3.913 20 30 HHEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)CC1 ZINC000536709472 1011881122 /nfs/dbraw/zinc/88/11/22/1011881122.db2.gz GZMZYLORICCEOP-RUZDIDTESA-N 2 1 418.585 3.738 20 30 HHEDMP CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000552363182 1012371521 /nfs/dbraw/zinc/37/15/21/1012371521.db2.gz FZFYBVKLFYBHMD-LEWJYISDSA-N 2 1 402.970 3.621 20 30 HHEDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000542012025 1012896740 /nfs/dbraw/zinc/89/67/40/1012896740.db2.gz MQABWOKDABECEZ-UHFFFAOYSA-N 2 1 422.577 3.516 20 30 HHEDMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019530 1012910589 /nfs/dbraw/zinc/91/05/89/1012910589.db2.gz XECKSRPFWOYZSP-IBGZPJMESA-N 2 1 412.541 3.618 20 30 HHEDMP CC(C)(C#N)c1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000586779695 1072436439 /nfs/dbraw/zinc/43/64/39/1072436439.db2.gz LHYNEOLAODSYJQ-RUZDIDTESA-N 2 1 402.586 3.880 20 30 HHEDMP CC(C)(C#N)c1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000586779695 1072436441 /nfs/dbraw/zinc/43/64/41/1072436441.db2.gz LHYNEOLAODSYJQ-RUZDIDTESA-N 2 1 402.586 3.880 20 30 HHEDMP Cc1cccc2nc(Cl)c(C#N)c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164679940 719653840 /nfs/dbraw/zinc/65/38/40/719653840.db2.gz ATRMHXDSIBNXJS-UHFFFAOYSA-N 2 1 408.937 3.740 20 30 HHEDMP Cc1cccc2nc(Cl)c(C#N)c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164679940 719653845 /nfs/dbraw/zinc/65/38/45/719653845.db2.gz ATRMHXDSIBNXJS-UHFFFAOYSA-N 2 1 408.937 3.740 20 30 HHEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000303777512 972022043 /nfs/dbraw/zinc/02/20/43/972022043.db2.gz IWBLZQIFDQIYFW-LJQANCHMSA-N 2 1 400.523 3.522 20 30 HHEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303892703 972432475 /nfs/dbraw/zinc/43/24/75/972432475.db2.gz RKCRUVJJHYIVMW-QGZVFWFLSA-N 2 1 406.452 3.876 20 30 HHEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)CC1 ZINC000537661949 1013222660 /nfs/dbraw/zinc/22/26/60/1013222660.db2.gz WWFMXDRPTHYNKC-VWLOTQADSA-N 2 1 418.585 3.738 20 30 HHEDMP N#CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(-c2ccccc2)n1 ZINC000237831512 970376112 /nfs/dbraw/zinc/37/61/12/970376112.db2.gz YTTKOROFJJHKEH-UHFFFAOYSA-N 2 1 415.541 3.586 20 30 HHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@@H]1c1cccs1 ZINC000304793215 972607306 /nfs/dbraw/zinc/60/73/06/972607306.db2.gz LLWQPMMLELDHBE-MGPUTAFESA-N 2 1 400.548 3.719 20 30 HHEDMP N#CCCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccncc2)n1 ZINC000435137478 980668822 /nfs/dbraw/zinc/66/88/22/980668822.db2.gz MINJGBREZDCFIG-OAQYLSRUSA-N 2 1 406.578 3.947 20 30 HHEDMP N#CCCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccncc2)n1 ZINC000435137478 980668828 /nfs/dbraw/zinc/66/88/28/980668828.db2.gz MINJGBREZDCFIG-OAQYLSRUSA-N 2 1 406.578 3.947 20 30 HHEDMP C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444675069 986857318 /nfs/dbraw/zinc/85/73/18/986857318.db2.gz QPBOMEQHFOUQKH-ZEQKJWHPSA-N 2 1 416.613 3.844 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983505 989048260 /nfs/dbraw/zinc/04/82/60/989048260.db2.gz OBFFNNQPAMUGLZ-FUHWJXTLSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)sc2C1 ZINC000470983505 989048271 /nfs/dbraw/zinc/04/82/71/989048271.db2.gz OBFFNNQPAMUGLZ-FUHWJXTLSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983505 989048286 /nfs/dbraw/zinc/04/82/86/989048286.db2.gz OBFFNNQPAMUGLZ-FUHWJXTLSA-N 2 1 414.619 3.737 20 30 HHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)sc2C1 ZINC000470983505 989048296 /nfs/dbraw/zinc/04/82/96/989048296.db2.gz OBFFNNQPAMUGLZ-FUHWJXTLSA-N 2 1 414.619 3.737 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2=O)cc1 ZINC000507475860 1002093310 /nfs/dbraw/zinc/09/33/10/1002093310.db2.gz IDCXIOVABRDNQA-WUEDSLEZSA-N 2 1 414.553 3.554 20 30 HHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2=O)cc1 ZINC000507475860 1002093322 /nfs/dbraw/zinc/09/33/22/1002093322.db2.gz IDCXIOVABRDNQA-WUEDSLEZSA-N 2 1 414.553 3.554 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000507603514 1002210137 /nfs/dbraw/zinc/21/01/37/1002210137.db2.gz JAUJXNQRDFBDCK-HYDWOIJQSA-N 2 1 403.570 3.863 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000507603514 1002210148 /nfs/dbraw/zinc/21/01/48/1002210148.db2.gz JAUJXNQRDFBDCK-HYDWOIJQSA-N 2 1 403.570 3.863 20 30 HHEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC000507661895 1002258775 /nfs/dbraw/zinc/25/87/75/1002258775.db2.gz XOWUHSATKILGNH-UHFFFAOYSA-N 2 1 416.569 3.568 20 30 HHEDMP COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000508571167 1003036058 /nfs/dbraw/zinc/03/60/58/1003036058.db2.gz SWGYPYAIXZRSDI-UHFFFAOYSA-N 2 1 406.574 3.737 20 30 HHEDMP CC(C)(C#N)c1ccccc1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512455677 1004316365 /nfs/dbraw/zinc/31/63/65/1004316365.db2.gz ICGDBJIHNJWZCM-DEOSSOPVSA-N 2 1 402.586 3.880 20 30 HHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512455677 1004316372 /nfs/dbraw/zinc/31/63/72/1004316372.db2.gz ICGDBJIHNJWZCM-DEOSSOPVSA-N 2 1 402.586 3.880 20 30 HHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512455677 1004316383 /nfs/dbraw/zinc/31/63/83/1004316383.db2.gz ICGDBJIHNJWZCM-DEOSSOPVSA-N 2 1 402.586 3.880 20 30 HHEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c(F)c1 ZINC000531970846 1006553220 /nfs/dbraw/zinc/55/32/20/1006553220.db2.gz VYQUIYAZAVZNTP-HSZRJFAPSA-N 2 1 406.549 3.963 20 30 HHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000533408762 1007716929 /nfs/dbraw/zinc/71/69/29/1007716929.db2.gz KMGSQYYUJGBOJI-UHFFFAOYSA-N 2 1 402.608 3.879 20 30 HHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000540597986 1011252725 /nfs/dbraw/zinc/25/27/25/1011252725.db2.gz ZZKMFWXGGHVMFV-OAQYLSRUSA-N 2 1 418.585 3.533 20 30 HHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000540597986 1011252738 /nfs/dbraw/zinc/25/27/38/1011252738.db2.gz ZZKMFWXGGHVMFV-OAQYLSRUSA-N 2 1 418.585 3.533 20 30 HHEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523122977 1011588534 /nfs/dbraw/zinc/58/85/34/1011588534.db2.gz HJXXLQUUIMSGIV-XMMPIXPASA-N 2 1 419.573 3.790 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536483649 1011695798 /nfs/dbraw/zinc/69/57/98/1011695798.db2.gz WXYXBURUUBXKHD-UHFFFAOYSA-N 2 1 410.606 3.725 20 30 HHEDMP C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536665950 1011818053 /nfs/dbraw/zinc/81/80/53/1011818053.db2.gz CPNUSEDTJBONLK-HFZDXXHNSA-N 2 1 418.585 3.595 20 30 HHEDMP C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536665950 1011818068 /nfs/dbraw/zinc/81/80/68/1011818068.db2.gz CPNUSEDTJBONLK-HFZDXXHNSA-N 2 1 418.585 3.595 20 30 HHEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000554970680 1073026112 /nfs/dbraw/zinc/02/61/12/1073026112.db2.gz BNDCGSWKIQFIRU-HXUWFJFHSA-N 2 1 403.448 3.824 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1OC ZINC000303789745 972029099 /nfs/dbraw/zinc/02/90/99/972029099.db2.gz VRLXNEMYMTUINL-LJQANCHMSA-N 2 1 424.589 3.725 20 30 HHEDMP COc1ccc([C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000304515192 972602844 /nfs/dbraw/zinc/60/28/44/972602844.db2.gz YOYZGJNKRVAZRU-VXKWHMMOSA-N 2 1 408.546 3.650 20 30 HHEDMP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000554844302 1014072037 /nfs/dbraw/zinc/07/20/37/1014072037.db2.gz SWASYBWJBYBWTG-VGOFRKELSA-N 2 1 410.949 3.816 20 30 HHEDMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433012487 979041558 /nfs/dbraw/zinc/04/15/58/979041558.db2.gz TWPMRMURKGILQE-XUZZJYLKSA-N 2 1 404.558 3.917 20 30 HHEDMP N#CCCN(C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433078900 979061545 /nfs/dbraw/zinc/06/15/45/979061545.db2.gz XBICUEJVRIFRHE-UHFFFAOYSA-N 2 1 416.569 3.921 20 30 HHEDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870139 980459146 /nfs/dbraw/zinc/45/91/46/980459146.db2.gz PJQYFTLOVIFMGY-DYESRHJHSA-N 2 1 408.571 3.747 20 30 HHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870139 980459151 /nfs/dbraw/zinc/45/91/51/980459151.db2.gz PJQYFTLOVIFMGY-DYESRHJHSA-N 2 1 408.571 3.747 20 30 HHEDMP N#CCCn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(-c2ccncc2)n1 ZINC000435048540 980595441 /nfs/dbraw/zinc/59/54/41/980595441.db2.gz NLDGWJVACFBKFL-UHFFFAOYSA-N 2 1 415.545 3.771 20 30 HHEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435126696 980658174 /nfs/dbraw/zinc/65/81/74/980658174.db2.gz PUZFVTZWNUAZEH-QFIPXVFZSA-N 2 1 414.557 3.813 20 30 HHEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435126696 980658178 /nfs/dbraw/zinc/65/81/78/980658178.db2.gz PUZFVTZWNUAZEH-QFIPXVFZSA-N 2 1 414.557 3.813 20 30 HHEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435126696 980658182 /nfs/dbraw/zinc/65/81/82/980658182.db2.gz PUZFVTZWNUAZEH-QFIPXVFZSA-N 2 1 414.557 3.813 20 30 HHEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435126696 980658186 /nfs/dbraw/zinc/65/81/86/980658186.db2.gz PUZFVTZWNUAZEH-QFIPXVFZSA-N 2 1 414.557 3.813 20 30 HHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598796 983465919 /nfs/dbraw/zinc/46/59/19/983465919.db2.gz SXXLGHHVNHRXAG-LJQANCHMSA-N 2 1 408.546 3.732 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196492 986374061 /nfs/dbraw/zinc/37/40/61/986374061.db2.gz QBMWPMMSZOVNER-MSOLQXFVSA-N 2 1 414.619 3.881 20 30 HHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196492 986374075 /nfs/dbraw/zinc/37/40/75/986374075.db2.gz QBMWPMMSZOVNER-MSOLQXFVSA-N 2 1 414.619 3.881 20 30 HHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224183 989366899 /nfs/dbraw/zinc/36/68/99/989366899.db2.gz YALZOUVUMUQYJD-VQIMIIECSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224183 989366908 /nfs/dbraw/zinc/36/69/08/989366908.db2.gz YALZOUVUMUQYJD-VQIMIIECSA-N 2 1 402.608 3.879 20 30 HHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224183 989366919 /nfs/dbraw/zinc/36/69/19/989366919.db2.gz YALZOUVUMUQYJD-VQIMIIECSA-N 2 1 402.608 3.879 20 30 HHEDMP C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316543 996094536 /nfs/dbraw/zinc/09/45/36/996094536.db2.gz UVRCWLHQKCJVRZ-RXVVDRJESA-N 2 1 408.537 3.640 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336859 997753744 /nfs/dbraw/zinc/75/37/44/997753744.db2.gz LREKFVGXYNXMDC-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336859 997753755 /nfs/dbraw/zinc/75/37/55/997753755.db2.gz LREKFVGXYNXMDC-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485336859 997753770 /nfs/dbraw/zinc/75/37/70/997753770.db2.gz LREKFVGXYNXMDC-LADGPHEKSA-N 2 1 402.542 3.873 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969433 999022231 /nfs/dbraw/zinc/02/22/31/999022231.db2.gz HJMIXMYVZQBDQI-FCHUYYIVSA-N 2 1 420.548 3.828 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969433 999022237 /nfs/dbraw/zinc/02/22/37/999022237.db2.gz HJMIXMYVZQBDQI-FCHUYYIVSA-N 2 1 420.548 3.828 20 30 HHEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023275 1004127064 /nfs/dbraw/zinc/12/70/64/1004127064.db2.gz KEPSUGMTRPSEFD-MRXNPFEDSA-N 2 1 423.586 3.679 20 30 HHEDMP C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053872 1004156303 /nfs/dbraw/zinc/15/63/03/1004156303.db2.gz SJLHQXXSAXZVRB-UHFFFAOYSA-N 2 1 415.541 3.981 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896547 1008170635 /nfs/dbraw/zinc/17/06/35/1008170635.db2.gz NFLCJKRFOGGCCZ-QLBJFCOMSA-N 2 1 405.542 3.821 20 30 HHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896547 1008170637 /nfs/dbraw/zinc/17/06/37/1008170637.db2.gz NFLCJKRFOGGCCZ-QLBJFCOMSA-N 2 1 405.542 3.821 20 30 HHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518333277 1008265490 /nfs/dbraw/zinc/26/54/90/1008265490.db2.gz PYSXMXDRBATBQO-OAQYLSRUSA-N 2 1 404.986 3.644 20 30 HHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000519756860 1008996328 /nfs/dbraw/zinc/99/63/28/1008996328.db2.gz BTRCCEGQPZWTKP-HXUWFJFHSA-N 2 1 402.542 3.873 20 30 HHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519756860 1008996334 /nfs/dbraw/zinc/99/63/34/1008996334.db2.gz BTRCCEGQPZWTKP-HXUWFJFHSA-N 2 1 402.542 3.873 20 30 HHEDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)CC1CC1 ZINC000536736749 1011916183 /nfs/dbraw/zinc/91/61/83/1011916183.db2.gz AUNDDLVZJRBTHO-UHFFFAOYSA-N 2 1 402.970 3.984 20 30 HHEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)CC1CC1 ZINC000536736749 1011916202 /nfs/dbraw/zinc/91/62/02/1011916202.db2.gz AUNDDLVZJRBTHO-UHFFFAOYSA-N 2 1 402.970 3.984 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599873 1012394486 /nfs/dbraw/zinc/39/44/86/1012394486.db2.gz RJYJDTRKWWCASI-QYZOEREBSA-N 2 1 400.542 3.703 20 30 HHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599873 1012394496 /nfs/dbraw/zinc/39/44/96/1012394496.db2.gz RJYJDTRKWWCASI-QYZOEREBSA-N 2 1 400.542 3.703 20 30 HHEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000303708164 971972462 /nfs/dbraw/zinc/97/24/62/971972462.db2.gz MURWKJQEAUGFEK-IBGZPJMESA-N 2 1 402.926 3.921 20 30 HHEDMP CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303872129 972413988 /nfs/dbraw/zinc/41/39/88/972413988.db2.gz BTTSODSGZKIHJL-LJQANCHMSA-N 2 1 411.550 3.551 20 30 HHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000303901529 972470818 /nfs/dbraw/zinc/47/08/18/972470818.db2.gz STMLVPMLQPEDDD-HSZRJFAPSA-N 2 1 409.578 3.579 20 30 HHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000303901529 972470822 /nfs/dbraw/zinc/47/08/22/972470822.db2.gz STMLVPMLQPEDDD-HSZRJFAPSA-N 2 1 409.578 3.579 20 30 HHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000303901529 972470828 /nfs/dbraw/zinc/47/08/28/972470828.db2.gz STMLVPMLQPEDDD-HSZRJFAPSA-N 2 1 409.578 3.579 20 30 HHEDMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750592 966946302 /nfs/dbraw/zinc/94/63/02/966946302.db2.gz KDODDSBZAUXOBU-UHFFFAOYSA-N 2 1 418.585 3.812 20 30 HHEDMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750592 966946312 /nfs/dbraw/zinc/94/63/12/966946312.db2.gz KDODDSBZAUXOBU-UHFFFAOYSA-N 2 1 418.585 3.812 20 30 HHEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750592 966946318 /nfs/dbraw/zinc/94/63/18/966946318.db2.gz KDODDSBZAUXOBU-UHFFFAOYSA-N 2 1 418.585 3.812 20 30 HHEDMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750592 966946324 /nfs/dbraw/zinc/94/63/24/966946324.db2.gz KDODDSBZAUXOBU-UHFFFAOYSA-N 2 1 418.585 3.812 20 30 HHEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1F ZINC000304486192 972601252 /nfs/dbraw/zinc/60/12/52/972601252.db2.gz KBGXNXPIGOMTTG-UHFFFAOYSA-N 2 1 421.398 3.823 20 30 HHEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706731 972613264 /nfs/dbraw/zinc/61/32/64/972613264.db2.gz WGDQBTIBUAOPKS-UWJYYQICSA-N 2 1 418.944 3.628 20 30 HHEDMP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000554844296 1014072021 /nfs/dbraw/zinc/07/20/21/1014072021.db2.gz SWASYBWJBYBWTG-HTAPYJJXSA-N 2 1 410.949 3.816 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229063 /nfs/dbraw/zinc/22/90/63/984229063.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229068 /nfs/dbraw/zinc/22/90/68/984229068.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229071 /nfs/dbraw/zinc/22/90/71/984229071.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229074 /nfs/dbraw/zinc/22/90/74/984229074.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 2 1 412.603 3.776 20 30 HHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000481934586 994807151 /nfs/dbraw/zinc/80/71/51/994807151.db2.gz VAWVLXQNJKXGBH-NOZRDPDXSA-N 2 1 416.569 3.813 20 30 HHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475126726 995939294 /nfs/dbraw/zinc/93/92/94/995939294.db2.gz CRTLRSAHSVXWBF-VWLOTQADSA-N 2 1 410.606 3.725 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056079 1000039994 /nfs/dbraw/zinc/03/99/94/1000039994.db2.gz IEYPSDOUQPISBO-GOTSBHOMSA-N 2 1 416.606 3.751 20 30 HHEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056079 1000039996 /nfs/dbraw/zinc/03/99/96/1000039996.db2.gz IEYPSDOUQPISBO-GOTSBHOMSA-N 2 1 416.606 3.751 20 30 HHEDMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC000507631497 1002234633 /nfs/dbraw/zinc/23/46/33/1002234633.db2.gz ZLIYBRATKOPVIT-UHFFFAOYSA-N 2 1 402.586 3.928 20 30 HHEDMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1)C1CC1 ZINC000508940886 1003391084 /nfs/dbraw/zinc/39/10/84/1003391084.db2.gz GAUXAGUYVCYIEJ-UHFFFAOYSA-N 2 1 404.558 3.747 20 30 HHEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2cccs2)CC1 ZINC000515017929 1006252694 /nfs/dbraw/zinc/25/26/94/1006252694.db2.gz AIRPAAOKCAYOIM-GOSISDBHSA-N 2 1 408.493 3.717 20 30 HHEDMP C=CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1OC ZINC000538722165 1006997723 /nfs/dbraw/zinc/99/77/23/1006997723.db2.gz ABWRTGOWWFRMNO-UHFFFAOYSA-N 2 1 415.622 3.888 20 30 HHEDMP C=CCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OC ZINC000538722165 1006997727 /nfs/dbraw/zinc/99/77/27/1006997727.db2.gz ABWRTGOWWFRMNO-UHFFFAOYSA-N 3 1 415.622 3.888 20 30 HHEDMP C=CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OC ZINC000538722165 1006997735 /nfs/dbraw/zinc/99/77/35/1006997735.db2.gz ABWRTGOWWFRMNO-UHFFFAOYSA-N 3 1 415.622 3.888 20 30 HHEDMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1ccccc1C#N ZINC000612051936 1072219535 /nfs/dbraw/zinc/21/95/35/1072219535.db2.gz XYCKYUKKCFOADW-GDXZIDHASA-N 2 1 402.542 3.776 20 30 HHEDMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1ccccc1C#N ZINC000612051936 1072219557 /nfs/dbraw/zinc/21/95/57/1072219557.db2.gz XYCKYUKKCFOADW-GDXZIDHASA-N 2 1 402.542 3.776 20 30 HHEDMP CCc1ccc(NC(=[NH2+])NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000303982187 972567307 /nfs/dbraw/zinc/56/73/07/972567307.db2.gz PVMHWMLYNWEUBR-UHFFFAOYSA-N 2 1 410.562 3.665 20 30 HHEDMP N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)C2=O)cc1 ZINC000433175925 979119868 /nfs/dbraw/zinc/11/98/68/979119868.db2.gz NJFAKAZHAAORJX-XMMPIXPASA-N 2 1 414.553 3.652 20 30 HHEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434870453 980458989 /nfs/dbraw/zinc/45/89/89/980458989.db2.gz QPQGBCZTUOFMDY-UTKZUKDTSA-N 2 1 408.571 3.889 20 30 HHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434870453 980458993 /nfs/dbraw/zinc/45/89/93/980458993.db2.gz QPQGBCZTUOFMDY-UTKZUKDTSA-N 2 1 408.571 3.889 20 30 HHEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000469758577 987412078 /nfs/dbraw/zinc/41/20/78/987412078.db2.gz RWKYTRCHDDCSAU-NHCUHLMSSA-N 2 1 404.558 3.679 20 30 HHEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045336 989123324 /nfs/dbraw/zinc/12/33/24/989123324.db2.gz YXMVNKKQZFNQOS-SJORKVTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045336 989123331 /nfs/dbraw/zinc/12/33/31/989123331.db2.gz YXMVNKKQZFNQOS-SJORKVTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045336 989123337 /nfs/dbraw/zinc/12/33/37/989123337.db2.gz YXMVNKKQZFNQOS-SJORKVTESA-N 2 1 402.608 3.737 20 30 HHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045336 989123341 /nfs/dbraw/zinc/12/33/41/989123341.db2.gz YXMVNKKQZFNQOS-SJORKVTESA-N 2 1 402.608 3.737 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000477066083 997712075 /nfs/dbraw/zinc/71/20/75/997712075.db2.gz JUNXXHNUQDMKCP-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000477066083 997712077 /nfs/dbraw/zinc/71/20/77/997712077.db2.gz JUNXXHNUQDMKCP-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000477066083 997712080 /nfs/dbraw/zinc/71/20/80/997712080.db2.gz JUNXXHNUQDMKCP-RUZDIDTESA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000477075334 997725961 /nfs/dbraw/zinc/72/59/61/997725961.db2.gz ZVPJIUBNAYDORY-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477075334 997725973 /nfs/dbraw/zinc/72/59/73/997725973.db2.gz ZVPJIUBNAYDORY-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000477075334 997725980 /nfs/dbraw/zinc/72/59/80/997725980.db2.gz ZVPJIUBNAYDORY-VWLOTQADSA-N 2 1 402.542 3.875 20 30 HHEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000489681733 999816629 /nfs/dbraw/zinc/81/66/29/999816629.db2.gz VUDKUVYEIHAKPA-UHFFFAOYSA-N 2 1 410.949 3.994 20 30 HHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000489681733 999816633 /nfs/dbraw/zinc/81/66/33/999816633.db2.gz VUDKUVYEIHAKPA-UHFFFAOYSA-N 2 1 410.949 3.994 20 30 HHEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000480679245 999857178 /nfs/dbraw/zinc/85/71/78/999857178.db2.gz LXPBIPVKFZVNET-IYBDPMFKSA-N 2 1 406.368 3.642 20 30 HHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000480679245 999857181 /nfs/dbraw/zinc/85/71/81/999857181.db2.gz LXPBIPVKFZVNET-IYBDPMFKSA-N 2 1 406.368 3.642 20 30 HHEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000480679243 999857277 /nfs/dbraw/zinc/85/72/77/999857277.db2.gz LXPBIPVKFZVNET-HOTGVXAUSA-N 2 1 406.368 3.642 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000507603517 1002210257 /nfs/dbraw/zinc/21/02/57/1002210257.db2.gz JAUJXNQRDFBDCK-JIFJKGJMSA-N 2 1 403.570 3.863 20 30 HHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000507603517 1002210260 /nfs/dbraw/zinc/21/02/60/1002210260.db2.gz JAUJXNQRDFBDCK-JIFJKGJMSA-N 2 1 403.570 3.863 20 30 HHEDMP CN(c1ccccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C1CC[NH+](C)CC1 ZINC000509546195 1003936481 /nfs/dbraw/zinc/93/64/81/1003936481.db2.gz VFVVWEYSNAHBPF-UHFFFAOYSA-N 2 1 421.564 3.550 20 30 HHEDMP CN(c1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CC[NH+](C)CC1 ZINC000512240290 1004143227 /nfs/dbraw/zinc/14/32/27/1004143227.db2.gz CSMVICRKVNACMU-UHFFFAOYSA-N 2 1 421.564 3.550 20 30 HHEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)CC1 ZINC000533397354 1007708609 /nfs/dbraw/zinc/70/86/09/1007708609.db2.gz UQZPNBQVGRQWQR-GOSISDBHSA-N 2 1 414.619 3.881 20 30 HHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)CC1 ZINC000533397354 1007708617 /nfs/dbraw/zinc/70/86/17/1007708617.db2.gz UQZPNBQVGRQWQR-GOSISDBHSA-N 2 1 414.619 3.881 20 30 HHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1SCC#N ZINC000536702091 1011872291 /nfs/dbraw/zinc/87/22/91/1011872291.db2.gz CCQOQUOONODLBZ-UHFFFAOYSA-N 2 1 423.586 3.874 20 30 HHEDMP