smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CCC#N)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472310 1032906635 /nfs/dbraw/zinc/90/66/35/1032906635.db2.gz DUBNDDOGLVKFFV-TZIWHRDSSA-N 2 0 325.500 3.914 20 30 EHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000517741517 1022612040 /nfs/dbraw/zinc/61/20/40/1022612040.db2.gz SIJYTVPPEZLBRY-UWJYYQICSA-N 2 0 325.500 3.885 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237500302 1027572720 /nfs/dbraw/zinc/57/27/20/1027572720.db2.gz OWUSGPDUEDBCAN-IBGZPJMESA-N 2 0 328.500 3.833 20 30 EHEDRP C=CCN1CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903091151 1031227707 /nfs/dbraw/zinc/22/77/07/1031227707.db2.gz OGTSPXQDGJIYPA-FQEVSTJZSA-N 2 0 332.463 3.533 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925550 1033546183 /nfs/dbraw/zinc/54/61/83/1033546183.db2.gz NUUOXOYOEDIIPN-GOSISDBHSA-N 2 0 325.500 3.986 20 30 EHEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658135474 1033970996 /nfs/dbraw/zinc/97/09/96/1033970996.db2.gz DXWKXHULAOHVCP-UXHICEINSA-N 2 0 340.467 3.643 20 30 EHEDRP N#CCc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000612059118 1033974650 /nfs/dbraw/zinc/97/46/50/1033974650.db2.gz UBGGNNDNQLRDHA-UHFFFAOYSA-N 2 0 325.500 3.841 20 30 EHEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000594723208 1036174167 /nfs/dbraw/zinc/17/41/67/1036174167.db2.gz YVLPSRXUGKHYNL-KRWDZBQOSA-N 2 0 334.467 3.516 20 30 EHEDRP [NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)NC1CCCCCC1 ZINC000092277820 1038265246 /nfs/dbraw/zinc/26/52/46/1038265246.db2.gz FVPZYSCGQALBQO-UHFFFAOYSA-N 2 0 348.560 3.587 20 30 EHEDRP C=CCCC[C@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449705 1039186347 /nfs/dbraw/zinc/18/63/47/1039186347.db2.gz KHIHWRUJISRVCJ-RBBKRZOGSA-N 2 0 341.543 3.623 20 30 EHEDRP CSc1ccc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)cc1C#N ZINC000925771998 1042829108 /nfs/dbraw/zinc/82/91/08/1042829108.db2.gz FWANSHCUONGGDP-OALUTQOASA-N 2 0 337.492 3.863 20 30 EHEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001167837918 1043046646 /nfs/dbraw/zinc/04/66/46/1043046646.db2.gz NVIXBCXIRFWYGD-GOSISDBHSA-N 2 0 343.515 3.912 20 30 EHEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001167838176 1043047279 /nfs/dbraw/zinc/04/72/79/1043047279.db2.gz RFWITZHAAGMPHO-NQIIRXRSSA-N 2 0 343.515 3.912 20 30 EHEDRP C[N@@H+]1CCC[C@H](CNCc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775559 1128751119 /nfs/dbraw/zinc/75/11/19/1128751119.db2.gz GDLAPCTWXKCOOQ-RHSMWYFYSA-N 2 0 331.510 3.854 20 30 EHEDRP C[NH+](C)C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000091671257 1128776712 /nfs/dbraw/zinc/77/67/12/1128776712.db2.gz LWLDHJCAVKWFGO-UHFFFAOYSA-N 2 0 349.478 3.663 20 30 EHEDRP N#CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000731211732 1130777043 /nfs/dbraw/zinc/77/70/43/1130777043.db2.gz YEWAXNHTPDQLNO-UHFFFAOYSA-N 2 0 341.499 3.677 20 30 EHEDRP C[C@H](CCCC#N)[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001172493740 1131757973 /nfs/dbraw/zinc/75/79/73/1131757973.db2.gz COANFORBQFLPJJ-GOSISDBHSA-N 2 0 340.515 3.840 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1 ZINC001169710006 1132830213 /nfs/dbraw/zinc/83/02/13/1132830213.db2.gz UUYQHMVMMQHDGX-FQEVSTJZSA-N 2 0 346.478 3.850 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198593 1137309560 /nfs/dbraw/zinc/30/95/60/1137309560.db2.gz NLWYHZXKVQBEEE-NQSCKRDGSA-N 2 0 348.494 3.656 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001171222119 1137348335 /nfs/dbraw/zinc/34/83/35/1137348335.db2.gz DXXHDZMWJNPPRZ-SXSPYAJSSA-N 2 0 345.490 3.553 20 30 EHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866469157 1137357483 /nfs/dbraw/zinc/35/74/83/1137357483.db2.gz HIZHTYROTZRSDG-NHCUHLMSSA-N 2 0 325.500 3.961 20 30 EHEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000883390997 1137859216 /nfs/dbraw/zinc/85/92/16/1137859216.db2.gz ZCYZGTHEDSKGLS-PXNSSMCTSA-N 2 0 346.515 3.659 20 30 EHEDRP CN(CCC#N)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000093688607 1138239656 /nfs/dbraw/zinc/23/96/56/1138239656.db2.gz ZYRANVXFDKEUQD-UHFFFAOYSA-N 2 0 342.531 3.590 20 30 EHEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065754 1141303994 /nfs/dbraw/zinc/30/39/94/1141303994.db2.gz JCOFRNGHZROXTF-JWFWCLOMSA-N 2 0 325.500 3.853 20 30 EHEDRP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602577559 1032996472 /nfs/dbraw/zinc/99/64/72/1032996472.db2.gz VRPSJBSZXPRNFM-OMZYAQQMSA-N 2 0 325.500 3.959 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000280953349 1024483197 /nfs/dbraw/zinc/48/31/97/1024483197.db2.gz XSSVNNGNAGAEPE-CUUWFGFTSA-N 2 0 340.511 3.753 20 30 EHEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000442777924 1025468295 /nfs/dbraw/zinc/46/82/95/1025468295.db2.gz GOIHQTIUQICYDT-AEFFLSMTSA-N 2 0 331.891 3.834 20 30 EHEDRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000447585008 1030318936 /nfs/dbraw/zinc/31/89/36/1030318936.db2.gz IOGSJIFSMNFLQP-HZEGPAAWSA-N 2 0 325.500 3.959 20 30 EHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055182 1033632131 /nfs/dbraw/zinc/63/21/31/1033632131.db2.gz ACDHFYLYWVSGSL-UWJYYQICSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccc(C#N)cc3)CC2)C1 ZINC000595056764 1033634842 /nfs/dbraw/zinc/63/48/42/1033634842.db2.gz WAEPCBSTEXIMDG-LAUBAEHRSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000595091610 1033698157 /nfs/dbraw/zinc/69/81/57/1033698157.db2.gz SAYVEAIEMAGBPG-QGZVFWFLSA-N 2 0 329.488 3.752 20 30 EHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1ccc(C#N)cc1 ZINC000595435453 1033800972 /nfs/dbraw/zinc/80/09/72/1033800972.db2.gz FVQJSFJEMNFSOV-OALUTQOASA-N 2 0 347.506 3.847 20 30 EHEDRP CC[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029847 1033984481 /nfs/dbraw/zinc/98/44/81/1033984481.db2.gz RXWHTVYYCVXPDD-UHFFFAOYSA-N 2 0 337.467 3.521 20 30 EHEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597014614 1034490646 /nfs/dbraw/zinc/49/06/46/1034490646.db2.gz RBWDDMXMCCSMIH-UHFFFAOYSA-N 2 0 325.500 3.796 20 30 EHEDRP C=CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000662675679 1042825324 /nfs/dbraw/zinc/82/53/24/1042825324.db2.gz PRWYKXVXKFSKLA-DYESRHJHSA-N 2 0 341.499 3.698 20 30 EHEDRP N#Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000921595521 1127761225 /nfs/dbraw/zinc/76/12/25/1127761225.db2.gz UISDNLFSEBIEIS-UHFFFAOYSA-N 2 0 325.481 3.622 20 30 EHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207000 1128071072 /nfs/dbraw/zinc/07/10/72/1128071072.db2.gz HEFTXHORVNLCLC-LANMQJKKSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@@H]1C[C@@H](NCc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000921816800 1128784173 /nfs/dbraw/zinc/78/41/73/1128784173.db2.gz KCNITBLHPVGTKT-QAPCUYQASA-N 2 0 325.481 3.762 20 30 EHEDRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000618191992 1125017650 /nfs/dbraw/zinc/01/76/50/1125017650.db2.gz CIMPZGCUFOFDIZ-NRFANRHFSA-N 2 0 333.479 3.869 20 30 EHEDRP N#CCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001173327680 1132048304 /nfs/dbraw/zinc/04/83/04/1132048304.db2.gz FNZYRHATDNWRGN-HODLZWQNSA-N 2 0 337.511 3.959 20 30 EHEDRP C=CC(C)(C)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001179516215 1133255305 /nfs/dbraw/zinc/25/53/05/1133255305.db2.gz TUMDCWJTGPYXGB-UHFFFAOYSA-N 2 0 333.495 3.660 20 30 EHEDRP Cc1cccc(C)c1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776170981 1136020426 /nfs/dbraw/zinc/02/04/26/1136020426.db2.gz RIVXLIRKGLKUFH-UHFFFAOYSA-N 2 0 333.479 3.929 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827140 1137267802 /nfs/dbraw/zinc/26/78/02/1137267802.db2.gz ICLDHUZTTMJBHL-TZIWHRDSSA-N 2 0 348.490 3.871 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001171197822 1137306505 /nfs/dbraw/zinc/30/65/05/1137306505.db2.gz CYPFNAVUUOYBLR-SFHVURJKSA-N 2 0 333.479 3.525 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303569 1137549104 /nfs/dbraw/zinc/54/91/04/1137549104.db2.gz BQJSXQSPZQARRT-HSQYWUDLSA-N 2 0 348.494 3.656 20 30 EHEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000877683850 1137685738 /nfs/dbraw/zinc/68/57/38/1137685738.db2.gz KUDWSYRJDVELSO-UHFFFAOYSA-N 2 0 325.500 3.796 20 30 EHEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000883390999 1137859189 /nfs/dbraw/zinc/85/91/89/1137859189.db2.gz ZCYZGTHEDSKGLS-YLJYHZDGSA-N 2 0 346.515 3.659 20 30 EHEDRP C=CCC1(O)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000886778640 1138139118 /nfs/dbraw/zinc/13/91/18/1138139118.db2.gz LQRVMJFLHMJPEJ-UHFFFAOYSA-N 2 0 328.500 3.576 20 30 EHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000174367973 1139416019 /nfs/dbraw/zinc/41/60/19/1139416019.db2.gz IOEIMSRTRZMSLP-UHFFFAOYSA-N 2 0 343.858 3.806 20 30 EHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696566 1139925084 /nfs/dbraw/zinc/92/50/84/1139925084.db2.gz NGKKDIBZMRZOHD-QGZVFWFLSA-N 2 0 337.467 3.891 20 30 EHEDRP C=CCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001209200118 1015931561 /nfs/dbraw/zinc/93/15/61/1015931561.db2.gz GZRNOALXDVLARI-UHFFFAOYSA-N 2 0 334.529 3.771 20 30 EHEDRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1C#N ZINC000340173846 1016582590 /nfs/dbraw/zinc/58/25/90/1016582590.db2.gz OQDQURVDPPVZJB-UHFFFAOYSA-N 2 0 341.499 3.655 20 30 EHEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000449097038 1032175482 /nfs/dbraw/zinc/17/54/82/1032175482.db2.gz KMIRAQGNNLJDDJ-UHFFFAOYSA-N 2 0 325.500 3.961 20 30 EHEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000175990895 1020587877 /nfs/dbraw/zinc/58/78/77/1020587877.db2.gz MRPYXWFWVFXGAW-SFHVURJKSA-N 2 0 343.515 3.825 20 30 EHEDRP C[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434530 1021434375 /nfs/dbraw/zinc/43/43/75/1021434375.db2.gz BVRBVRPPMFZGRJ-PBHICJAKSA-N 2 0 331.891 3.954 20 30 EHEDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000108428764 1023127303 /nfs/dbraw/zinc/12/73/03/1023127303.db2.gz JUNRFZYUMGQIBI-NRFANRHFSA-N 2 0 349.478 3.569 20 30 EHEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375767848 1033146651 /nfs/dbraw/zinc/14/66/51/1033146651.db2.gz JVJUEEBSZLVVAQ-OAQYLSRUSA-N 2 0 325.500 3.914 20 30 EHEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000421325030 1028269507 /nfs/dbraw/zinc/26/95/07/1028269507.db2.gz JGEUQKVSJHEXPF-UHFFFAOYSA-N 2 0 337.442 3.973 20 30 EHEDRP C=CCOc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414816025 1029349753 /nfs/dbraw/zinc/34/97/53/1029349753.db2.gz YXEMZBHLOHAPLI-OAHLLOKOSA-N 2 0 326.440 3.570 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC ZINC000278497087 1031102569 /nfs/dbraw/zinc/10/25/69/1031102569.db2.gz MSEXIKNBQFSELX-UHFFFAOYSA-N 2 0 344.499 3.614 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594504433 1033406796 /nfs/dbraw/zinc/40/67/96/1033406796.db2.gz IULCZNIVDMVAKG-LJQANCHMSA-N 2 0 327.516 3.945 20 30 EHEDRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920879 1033546782 /nfs/dbraw/zinc/54/67/82/1033546782.db2.gz BIMDWTGZSKOQEF-UHFFFAOYSA-N 2 0 325.500 3.843 20 30 EHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055179 1033631982 /nfs/dbraw/zinc/63/19/82/1033631982.db2.gz ACDHFYLYWVSGSL-DYESRHJHSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323751 1033740365 /nfs/dbraw/zinc/74/03/65/1033740365.db2.gz OPENWRJYUGPWIR-GHTZIAJQSA-N 2 0 325.500 3.687 20 30 EHEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000376389898 1036466414 /nfs/dbraw/zinc/46/64/14/1036466414.db2.gz YUMQJIQVRDLTRF-UHFFFAOYSA-N 2 0 325.500 3.796 20 30 EHEDRP N#CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997741 1036605348 /nfs/dbraw/zinc/60/53/48/1036605348.db2.gz QQECZSSPIGDBPY-GOTSBHOMSA-N 2 0 345.490 3.707 20 30 EHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000057843870 1037202158 /nfs/dbraw/zinc/20/21/58/1037202158.db2.gz SXNANJCMKGINJG-UHFFFAOYSA-N 2 0 333.479 3.902 20 30 EHEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1F ZINC000491765410 1037658363 /nfs/dbraw/zinc/65/83/63/1037658363.db2.gz DCXNNICYNMNYEQ-LJQANCHMSA-N 2 0 343.833 3.807 20 30 EHEDRP CC(C)(C#N)CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353535 1039798549 /nfs/dbraw/zinc/79/85/49/1039798549.db2.gz HSRIGYJUZDPKNW-UXHICEINSA-N 2 0 325.500 3.770 20 30 EHEDRP C=C(C)C[NH+]1CCC(Nc2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663568569 1043004381 /nfs/dbraw/zinc/00/43/81/1043004381.db2.gz XWLBJILTPHOZIP-UHFFFAOYSA-N 2 0 341.455 3.704 20 30 EHEDRP Cc1cc(C#N)ccc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186246332 1128357542 /nfs/dbraw/zinc/35/75/42/1128357542.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 2 0 333.479 3.821 20 30 EHEDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858162 1128739909 /nfs/dbraw/zinc/73/99/09/1128739909.db2.gz UKZCAWFHVVVSGR-LJQANCHMSA-N 2 0 333.479 3.999 20 30 EHEDRP C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309763647 1128914538 /nfs/dbraw/zinc/91/45/38/1128914538.db2.gz FKZRAMJGUSZVBB-CRAIPNDOSA-N 2 0 325.481 3.620 20 30 EHEDRP C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022321 1129817715 /nfs/dbraw/zinc/81/77/15/1129817715.db2.gz RDAPCHNKUMIBJA-LAUBAEHRSA-N 2 0 339.483 3.990 20 30 EHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506671 1131762374 /nfs/dbraw/zinc/76/23/74/1131762374.db2.gz ZAMHWTXZYXHCPS-NRSPTQNISA-N 2 0 325.500 3.913 20 30 EHEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001173315891 1132060013 /nfs/dbraw/zinc/06/00/13/1132060013.db2.gz BCWWYTMZGYIESD-UHFFFAOYSA-N 2 0 334.548 3.992 20 30 EHEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CC1 ZINC001173319102 1132061121 /nfs/dbraw/zinc/06/11/21/1132061121.db2.gz YGXJWLKYQYBYRS-UHFFFAOYSA-N 2 0 346.490 3.675 20 30 EHEDRP COc1ccccc1CC1([NH3+])CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173591658 1132096966 /nfs/dbraw/zinc/09/69/66/1132096966.db2.gz VSHXGNKXNNXHQK-UHFFFAOYSA-N 2 0 341.499 3.503 20 30 EHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000817987187 1136855361 /nfs/dbraw/zinc/85/53/61/1136855361.db2.gz XLXZAUSWWNKGSV-DZJNRPSUSA-N 2 0 334.891 3.857 20 30 EHEDRP C#Cc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311898 /nfs/dbraw/zinc/31/18/98/1137311898.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 2 0 330.475 3.766 20 30 EHEDRP C[NH+]1C(C)(C)CC([NH2+]CCCOc2cccc(C#N)c2)CC1(C)C ZINC001171626301 1137501453 /nfs/dbraw/zinc/50/14/53/1137501453.db2.gz XGNVABZLJRBCEA-UHFFFAOYSA-N 2 0 329.488 3.568 20 30 EHEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111107 1137537421 /nfs/dbraw/zinc/53/74/21/1137537421.db2.gz RYFOZWIMOILLGM-PHZGNYQRSA-N 2 0 337.389 3.682 20 30 EHEDRP CCC(CC)(CNC(=[NH2+])Nc1ccccn1)[NH2+][C@H](C)c1ccccc1 ZINC000178574132 1139705267 /nfs/dbraw/zinc/70/52/67/1139705267.db2.gz SFKOCTMBPZSUOY-MRXNPFEDSA-N 2 0 339.487 3.718 20 30 EHEDRP C[NH+](C)C[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054492 1140561670 /nfs/dbraw/zinc/56/16/70/1140561670.db2.gz YXHPLLONPOCYAL-FQEVSTJZSA-N 2 0 347.506 3.770 20 30 EHEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924798482 1032061101 /nfs/dbraw/zinc/06/11/01/1032061101.db2.gz OTFPNQHWQSWKKB-LJQANCHMSA-N 2 0 342.531 3.507 20 30 EHEDRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172833 1032266969 /nfs/dbraw/zinc/26/69/69/1032266969.db2.gz MNCFVDJCKPNMAX-AFVILVPDSA-N 2 0 325.500 3.959 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459729991 1032434644 /nfs/dbraw/zinc/43/46/44/1032434644.db2.gz LEVFRCDIDZSEFR-XUVXKRRUSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000610271188 1017121564 /nfs/dbraw/zinc/12/15/64/1017121564.db2.gz HPYGQJTULRZXMV-UWJYYQICSA-N 2 0 349.478 3.710 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1CNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026938 1024468310 /nfs/dbraw/zinc/46/83/10/1024468310.db2.gz MKQQXYVXOMODIW-IPJJNNNSSA-N 2 0 341.543 3.668 20 30 EHEDRP C=C(C)CN1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000106245554 1024564672 /nfs/dbraw/zinc/56/46/72/1024564672.db2.gz HSHKURPWISAUFC-UHFFFAOYSA-N 2 0 342.405 3.758 20 30 EHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000281634046 1025297830 /nfs/dbraw/zinc/29/78/30/1025297830.db2.gz INAWXUSWFAFKHR-UHFFFAOYSA-N 2 0 337.467 3.698 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000153039300 1026965972 /nfs/dbraw/zinc/96/59/72/1026965972.db2.gz SYQJUAVLDKXBQG-RXVVDRJESA-N 2 0 333.564 3.660 20 30 EHEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000237054182 1028619372 /nfs/dbraw/zinc/61/93/72/1028619372.db2.gz QGYIEBJZFSUCNI-UHFFFAOYSA-N 2 0 337.467 3.721 20 30 EHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007410 /nfs/dbraw/zinc/00/74/10/1029007410.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 2 0 329.488 3.531 20 30 EHEDRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000447546459 1030280501 /nfs/dbraw/zinc/28/05/01/1030280501.db2.gz WBHVCCJROIOZLH-OAQYLSRUSA-N 2 0 337.467 3.740 20 30 EHEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000057973548 1035346029 /nfs/dbraw/zinc/34/60/29/1035346029.db2.gz HKPBTTNVZUQKQA-UHFFFAOYSA-N 2 0 325.481 3.622 20 30 EHEDRP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000463249698 1037951308 /nfs/dbraw/zinc/95/13/08/1037951308.db2.gz XBXFDPSTCZMZCO-PGRDOPGGSA-N 2 0 333.479 3.743 20 30 EHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000574005049 1037969359 /nfs/dbraw/zinc/96/93/59/1037969359.db2.gz BFPNMRODGNSMFI-OFNKIYASSA-N 2 0 345.490 3.700 20 30 EHEDRP C=CCCCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512485394 1039464420 /nfs/dbraw/zinc/46/44/20/1039464420.db2.gz GZYNQOVUPRPBCP-QFIPXVFZSA-N 2 0 341.543 3.625 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]CCC2CC[NH+](CC)CC2)ccc1OC ZINC000236853909 1039500993 /nfs/dbraw/zinc/50/09/93/1039500993.db2.gz NFANUJZIXBNMOF-UHFFFAOYSA-N 2 0 346.515 3.862 20 30 EHEDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905936 1042277032 /nfs/dbraw/zinc/27/70/32/1042277032.db2.gz VCKNNMJJSYTEKW-IBGZPJMESA-N 2 0 349.478 3.569 20 30 EHEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000662675681 1042825512 /nfs/dbraw/zinc/82/55/12/1042825512.db2.gz PRWYKXVXKFSKLA-UTKZUKDTSA-N 2 0 341.499 3.698 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248862259 1124709605 /nfs/dbraw/zinc/70/96/05/1124709605.db2.gz PVHGEPLDNOCXLW-YZUZWNONSA-N 2 0 325.500 3.815 20 30 EHEDRP C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806666 1125207696 /nfs/dbraw/zinc/20/76/96/1125207696.db2.gz RDFUIRWHHKKTFH-OPAMFIHVSA-N 2 0 349.478 3.837 20 30 EHEDRP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831815 1130175693 /nfs/dbraw/zinc/17/56/93/1130175693.db2.gz SOAAKSIRBHTUBT-WIYYLYMNSA-N 2 0 333.479 3.867 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245689530 1130287707 /nfs/dbraw/zinc/28/77/07/1130287707.db2.gz KCSOOIAFFVKREO-DKUWSORSSA-N 2 0 331.463 3.843 20 30 EHEDRP C[C@H](CCCC#N)n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001172484779 1131740208 /nfs/dbraw/zinc/74/02/08/1131740208.db2.gz IKBLMOITRHOJAJ-QGZVFWFLSA-N 2 0 338.499 3.862 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1 ZINC001168845860 1132586554 /nfs/dbraw/zinc/58/65/54/1132586554.db2.gz HPAFHQFEEUYEAJ-FQEVSTJZSA-N 2 0 332.451 3.807 20 30 EHEDRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCc2ccc(C#N)cc2)CC1 ZINC001175362513 1132650352 /nfs/dbraw/zinc/65/03/52/1132650352.db2.gz WBVNWFMDMBEOPW-NRFANRHFSA-N 2 0 325.500 3.687 20 30 EHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000768927832 1133204821 /nfs/dbraw/zinc/20/48/21/1133204821.db2.gz XLFNPOZXSDXLTB-QGZVFWFLSA-N 2 0 329.488 3.530 20 30 EHEDRP C[NH+](C)CC1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170386335 1134762708 /nfs/dbraw/zinc/76/27/08/1134762708.db2.gz DVTAQCPYDHIKBZ-UHFFFAOYSA-N 2 0 325.500 3.664 20 30 EHEDRP C[NH+](CC[Si](C)(C)CC[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000859314888 1137011434 /nfs/dbraw/zinc/01/14/34/1137011434.db2.gz BSRHGVXMBGIALL-UHFFFAOYSA-N 2 0 336.600 3.658 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171179283 1137290653 /nfs/dbraw/zinc/29/06/53/1137290653.db2.gz QNAKTFIZXOLKOH-WMZHIEFXSA-N 2 0 347.506 3.991 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172299901 1137549008 /nfs/dbraw/zinc/54/90/08/1137549008.db2.gz PNYKUQXDEVOTAQ-KRWDZBQOSA-N 2 0 325.500 3.591 20 30 EHEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001172349895 1137553489 /nfs/dbraw/zinc/55/34/89/1137553489.db2.gz HDDNOODHBPLZRL-GUDVDZBRSA-N 2 0 339.568 3.704 20 30 EHEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883343319 1137855997 /nfs/dbraw/zinc/85/59/97/1137855997.db2.gz IQTCRIRQNONZAH-MOPGFXCFSA-N 2 0 330.516 3.594 20 30 EHEDRP C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000883390998 1137859218 /nfs/dbraw/zinc/85/92/18/1137859218.db2.gz ZCYZGTHEDSKGLS-XLIONFOSSA-N 2 0 346.515 3.659 20 30 EHEDRP N#CCc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000886629534 1138103600 /nfs/dbraw/zinc/10/36/00/1138103600.db2.gz HQEBFMJIGUXQBZ-VABKMULXSA-N 2 0 345.490 3.895 20 30 EHEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000192789243 1140550455 /nfs/dbraw/zinc/55/04/55/1140550455.db2.gz BOHVYRLCGXDBRH-OAQYLSRUSA-N 2 0 329.532 3.700 20 30 EHEDRP C[NH+]1CCC(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271053800 1141300985 /nfs/dbraw/zinc/30/09/85/1141300985.db2.gz CBSRGJBCVUOCEP-UHFFFAOYSA-N 2 0 325.500 3.712 20 30 EHEDRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449127625 1032220612 /nfs/dbraw/zinc/22/06/12/1032220612.db2.gz WWIHFXAYKRHCSW-UHFFFAOYSA-N 2 0 329.488 3.579 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449302059 1032421463 /nfs/dbraw/zinc/42/14/63/1032421463.db2.gz UDOXOXYPTOCKNK-VCOUNFBDSA-N 2 0 342.527 3.653 20 30 EHEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602716173 1033102876 /nfs/dbraw/zinc/10/28/76/1033102876.db2.gz ADXAGUNPGFIZIE-UYAOXDASSA-N 2 0 325.500 3.818 20 30 EHEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745051 1024402543 /nfs/dbraw/zinc/40/25/43/1024402543.db2.gz PVRFWFMUVFLFJV-OAQYLSRUSA-N 2 0 349.478 3.569 20 30 EHEDRP C=CCN1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000281068939 1024615752 /nfs/dbraw/zinc/61/57/52/1024615752.db2.gz SRTCUVLRFGIVMY-UHFFFAOYSA-N 2 0 341.543 3.670 20 30 EHEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000515075134 1024997266 /nfs/dbraw/zinc/99/72/66/1024997266.db2.gz XAHNROLXZCSRDI-CYBMUJFWSA-N 2 0 338.293 3.535 20 30 EHEDRP C=CCC[C@@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422991524 1028099470 /nfs/dbraw/zinc/09/94/70/1028099470.db2.gz BLDBZIWSIXRMTH-IEBWSBKVSA-N 2 0 344.499 3.605 20 30 EHEDRP N#CCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422994258 1028100920 /nfs/dbraw/zinc/10/09/20/1028100920.db2.gz HFDSVWUDQICEDV-VWPQPMDRSA-N 2 0 347.462 3.877 20 30 EHEDRP C=CCC[C@@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422991526 1028100933 /nfs/dbraw/zinc/10/09/33/1028100933.db2.gz BLDBZIWSIXRMTH-PKOBYXMFSA-N 2 0 344.499 3.605 20 30 EHEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000594522672 1033428557 /nfs/dbraw/zinc/42/85/57/1033428557.db2.gz RFEKBPNAEOKNHE-RVWIWJKTSA-N 2 0 349.478 3.567 20 30 EHEDRP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000595065273 1033641366 /nfs/dbraw/zinc/64/13/66/1033641366.db2.gz CEUGLOKYTUHHQF-QFIPXVFZSA-N 2 0 348.494 3.906 20 30 EHEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000599069185 1033709584 /nfs/dbraw/zinc/70/95/84/1033709584.db2.gz CTCCCPGVGWZRKA-PELRDEGISA-N 2 0 325.500 3.712 20 30 EHEDRP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000170908907 1033828164 /nfs/dbraw/zinc/82/81/64/1033828164.db2.gz PPVYGATZRINRLY-UHFFFAOYSA-N 2 0 336.483 3.826 20 30 EHEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000170908897 1033829207 /nfs/dbraw/zinc/82/92/07/1033829207.db2.gz ZMNQBPWIPACMLB-UHFFFAOYSA-N 2 0 336.483 3.826 20 30 EHEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000491737315 1037646239 /nfs/dbraw/zinc/64/62/39/1037646239.db2.gz BMYUDUBJIAOFEG-IBGZPJMESA-N 2 0 325.843 3.668 20 30 EHEDRP CC(C)(C#N)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310353537 1039797019 /nfs/dbraw/zinc/79/70/19/1039797019.db2.gz HSRIGYJUZDPKNW-WOJBJXKFSA-N 2 0 325.500 3.770 20 30 EHEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001167838681 1043047076 /nfs/dbraw/zinc/04/70/76/1043047076.db2.gz VWKXBKDSWSCNCD-UYAOXDASSA-N 2 0 343.515 3.912 20 30 EHEDRP C=C(C)C[NH+]1CCC(NCC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000177557892 1126983940 /nfs/dbraw/zinc/98/39/40/1126983940.db2.gz UUOAVLYTNFMGSZ-UHFFFAOYSA-N 2 0 343.559 3.775 20 30 EHEDRP N#Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000921504067 1127097536 /nfs/dbraw/zinc/09/75/36/1127097536.db2.gz HMYPEWOAIMQCQE-UHFFFAOYSA-N 2 0 325.481 3.895 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000403981002 1128673021 /nfs/dbraw/zinc/67/30/21/1128673021.db2.gz ATZPCTAHLPPODR-OXJNMPFZSA-N 2 0 337.442 3.698 20 30 EHEDRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccc1C#N ZINC000488145829 1122237774 /nfs/dbraw/zinc/23/77/74/1122237774.db2.gz GORLTTCFTNRMJA-UHFFFAOYSA-N 2 0 325.500 3.955 20 30 EHEDRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCSCC#N ZINC000282592921 1131099252 /nfs/dbraw/zinc/09/92/52/1131099252.db2.gz XDVVXROCXLBUNZ-SFHVURJKSA-N 2 0 331.529 3.524 20 30 EHEDRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332880 1132050105 /nfs/dbraw/zinc/05/01/05/1132050105.db2.gz VKHZFPUQGONFOE-CZOVOBHWSA-N 2 0 325.500 3.959 20 30 EHEDRP C=CCOC1CCC([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC001173319860 1132060799 /nfs/dbraw/zinc/06/07/99/1132060799.db2.gz YVSBNRJYHKDPOL-JSOIOWGOSA-N 2 0 332.532 3.911 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])cc1 ZINC001169195998 1132688813 /nfs/dbraw/zinc/68/88/13/1132688813.db2.gz XTWSETXEJCIISI-FQEVSTJZSA-N 2 0 332.451 3.807 20 30 EHEDRP C[NH+](C)CCCC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000767002437 1132933768 /nfs/dbraw/zinc/93/37/68/1132933768.db2.gz MVWICORZUMSFPT-UHFFFAOYSA-N 2 0 349.906 3.796 20 30 EHEDRP C#Cc1ccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001177982008 1133126128 /nfs/dbraw/zinc/12/61/28/1133126128.db2.gz ZJBMJWHJFIXZEP-MOJGAOKDSA-N 2 0 332.491 3.914 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]\CC2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000772156073 1133652687 /nfs/dbraw/zinc/65/26/87/1133652687.db2.gz UYFDMWATJPPHPL-QNGOZBTKSA-N 2 0 329.488 3.532 20 30 EHEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C1 ZINC001199336428 1135895939 /nfs/dbraw/zinc/89/59/39/1135895939.db2.gz OIZNTKLVXCCDMK-SIKLNZKXSA-N 2 0 341.543 3.659 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827137 1137267826 /nfs/dbraw/zinc/26/78/26/1137267826.db2.gz ICLDHUZTTMJBHL-CTNGQTDRSA-N 2 0 348.490 3.871 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866469158 1137357409 /nfs/dbraw/zinc/35/74/09/1137357409.db2.gz HIZHTYROTZRSDG-RTWAWAEBSA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617121 1137369792 /nfs/dbraw/zinc/36/97/92/1137369792.db2.gz FMGFDRYTPZXWLC-NPFVIJTESA-N 2 0 337.511 3.658 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172311844 1137546283 /nfs/dbraw/zinc/54/62/83/1137546283.db2.gz ZHBQCRZXQJKVFC-JRGCBEDISA-N 2 0 325.500 3.828 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172289822 1137548236 /nfs/dbraw/zinc/54/82/36/1137548236.db2.gz IQKYZSQYJODQHY-CVDCTZTESA-N 2 0 347.506 3.991 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172290514 1137548277 /nfs/dbraw/zinc/54/82/77/1137548277.db2.gz QTKWOYDHWJQPCM-IBGZPJMESA-N 2 0 347.506 3.991 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000185803833 1140170846 /nfs/dbraw/zinc/17/08/46/1140170846.db2.gz VWEAXBIBBQREJS-VQTJNVASSA-N 2 0 341.499 3.579 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000266227243 1140657107 /nfs/dbraw/zinc/65/71/07/1140657107.db2.gz SRUGNZBHGAXWIQ-UHFFFAOYSA-N 2 0 331.504 3.827 20 30 EHEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268917402 1141024771 /nfs/dbraw/zinc/02/47/71/1141024771.db2.gz VMWZFXFQKGFNBT-UGKGYDQZSA-N 2 0 341.543 3.670 20 30 EHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602520174 1032931179 /nfs/dbraw/zinc/93/11/79/1032931179.db2.gz JPGWVHFMONFEMQ-GOSISDBHSA-N 2 0 343.515 3.717 20 30 EHEDRP CCC(CC)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602513055 1032947638 /nfs/dbraw/zinc/94/76/38/1032947638.db2.gz ZAENPRQAZJOKCD-HKUYNNGSSA-N 2 0 335.536 3.576 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000507660806 1021431414 /nfs/dbraw/zinc/43/14/14/1021431414.db2.gz PYMLUFSERJKOJD-SNCIUUNGSA-N 2 0 337.511 3.997 20 30 EHEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187707278 1024386997 /nfs/dbraw/zinc/38/69/97/1024386997.db2.gz VVNYOORJVUNUAI-SFHVURJKSA-N 2 0 343.515 3.690 20 30 EHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015603 1024781172 /nfs/dbraw/zinc/78/11/72/1024781172.db2.gz BWRJDQYEPQLRAT-GCJKJVERSA-N 2 0 333.479 3.753 20 30 EHEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000425533075 1025663060 /nfs/dbraw/zinc/66/30/60/1025663060.db2.gz KECOUHABZUOSTE-SFHVURJKSA-N 2 0 349.478 3.583 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000611586676 1025901244 /nfs/dbraw/zinc/90/12/44/1025901244.db2.gz GTUNYTZDEZURHI-XPWALMASSA-N 2 0 345.490 3.949 20 30 EHEDRP N#CCSCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159170067 1026512138 /nfs/dbraw/zinc/51/21/38/1026512138.db2.gz DEEXAXGBDXSLFF-UXHICEINSA-N 2 0 343.540 3.620 20 30 EHEDRP C=CCN1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453101701 1027365440 /nfs/dbraw/zinc/36/54/40/1027365440.db2.gz OPZNGZFPHRKWCT-UXHICEINSA-N 2 0 348.918 3.670 20 30 EHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440629003 1028471474 /nfs/dbraw/zinc/47/14/74/1028471474.db2.gz XOKTUCSJOCCBKA-MOPGFXCFSA-N 2 0 329.488 3.557 20 30 EHEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000093844478 1030682667 /nfs/dbraw/zinc/68/26/67/1030682667.db2.gz LILNCBAZDWTSHM-HDICACEKSA-N 2 0 335.536 3.528 20 30 EHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000609030013 1033983584 /nfs/dbraw/zinc/98/35/84/1033983584.db2.gz SFTVWIKUBYIZGF-UHFFFAOYSA-N 2 0 333.479 3.902 20 30 EHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596991059 1034494990 /nfs/dbraw/zinc/49/49/90/1034494990.db2.gz HWVBPGZZTDHKKJ-UHFFFAOYSA-N 2 0 325.500 3.794 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000157388883 1037501280 /nfs/dbraw/zinc/50/12/80/1037501280.db2.gz QBJPUEKVEZNVFM-QGZVFWFLSA-N 2 0 346.519 3.568 20 30 EHEDRP N#CCc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000592371103 1037919185 /nfs/dbraw/zinc/91/91/85/1037919185.db2.gz KBDWGCRABXNPQQ-UHFFFAOYSA-N 2 0 349.478 3.517 20 30 EHEDRP C[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000552275784 1039149737 /nfs/dbraw/zinc/14/97/37/1039149737.db2.gz ADFSKKDROFIOTK-BZSNNMDCSA-N 2 0 336.401 3.519 20 30 EHEDRP C=CCCC[C@@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449703 1039184893 /nfs/dbraw/zinc/18/48/93/1039184893.db2.gz KHIHWRUJISRVCJ-IFMALSPDSA-N 2 0 341.543 3.623 20 30 EHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825660 1042955308 /nfs/dbraw/zinc/95/53/08/1042955308.db2.gz SJWIGUCLWSPFNM-CTNGQTDRSA-N 2 0 349.563 3.530 20 30 EHEDRP C[N@@H+]1CCC[C@@H](CNCc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775563 1128751054 /nfs/dbraw/zinc/75/10/54/1128751054.db2.gz GDLAPCTWXKCOOQ-WMLDXEAASA-N 2 0 331.510 3.854 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000733610171 1131060626 /nfs/dbraw/zinc/06/06/26/1131060626.db2.gz OQMDLOKBLZRLLS-UHFFFAOYSA-N 2 0 329.488 3.533 20 30 EHEDRP CO[C@@H]1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931540 1131909978 /nfs/dbraw/zinc/90/99/78/1131909978.db2.gz UZLMMZUQVPPLPE-XRXFAXGQSA-N 2 0 341.499 3.588 20 30 EHEDRP COc1ccc(CC2([NH3+])CC[NH+](C3CCC(CC#N)CC3)CC2)cc1 ZINC001173333898 1132051728 /nfs/dbraw/zinc/05/17/28/1132051728.db2.gz SMSZLDVBVDHYDT-UHFFFAOYSA-N 2 0 341.499 3.503 20 30 EHEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768302778 1133122505 /nfs/dbraw/zinc/12/25/05/1133122505.db2.gz LQHXYHDSIWZGOC-UHFFFAOYSA-N 2 0 342.531 3.590 20 30 EHEDRP C=CCC[C@@H](CC)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001183533963 1133826139 /nfs/dbraw/zinc/82/61/39/1133826139.db2.gz OIJUHFXURYGVSC-HXUWFJFHSA-N 2 0 330.516 3.738 20 30 EHEDRP C#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC000809605725 1135856186 /nfs/dbraw/zinc/85/61/86/1135856186.db2.gz GYFWJGWHQRKYSK-UHFFFAOYSA-N 2 0 336.479 3.678 20 30 EHEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000809604696 1135856350 /nfs/dbraw/zinc/85/63/50/1135856350.db2.gz XUCZPNRUAGSYEY-RTBURBONSA-N 2 0 348.490 3.567 20 30 EHEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](CC)CC)cc1 ZINC000809606602 1135857113 /nfs/dbraw/zinc/85/71/13/1135857113.db2.gz XPRMKPVLNOZDEN-UHFFFAOYSA-N 2 0 336.479 3.678 20 30 EHEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000865715125 1137306201 /nfs/dbraw/zinc/30/62/01/1137306201.db2.gz JWXNGUGKOHQVCG-UHFFFAOYSA-N 2 0 342.531 3.637 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001171221116 1137346925 /nfs/dbraw/zinc/34/69/25/1137346925.db2.gz IJCOSICWOWWARK-GHTZIAJQSA-N 2 0 325.500 3.830 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172299667 1137549010 /nfs/dbraw/zinc/54/90/10/1137549010.db2.gz MPAVIKFLIIOGCP-SFHVURJKSA-N 2 0 333.479 3.525 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172300226 1137549242 /nfs/dbraw/zinc/54/92/42/1137549242.db2.gz SFIMQWWZZSQBDM-QGZVFWFLSA-N 2 0 325.500 3.733 20 30 EHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000348316877 1137945867 /nfs/dbraw/zinc/94/58/67/1137945867.db2.gz HNEMIFPBCVBFDK-RBUKOAKNSA-N 2 0 335.536 3.577 20 30 EHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1 ZINC000092821078 1138232125 /nfs/dbraw/zinc/23/21/25/1138232125.db2.gz CCJYEDYEQQLRGC-UHFFFAOYSA-N 2 0 334.467 3.692 20 30 EHEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266966808 1140745101 /nfs/dbraw/zinc/74/51/01/1140745101.db2.gz BUSSCRARGWJNGS-MRXNPFEDSA-N 2 0 338.455 3.547 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449302056 1032419816 /nfs/dbraw/zinc/41/98/16/1032419816.db2.gz UDOXOXYPTOCKNK-CBQOVEMMSA-N 2 0 342.527 3.653 20 30 EHEDRP C=CC[N@@H+](CCc1ccccc1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346131358 1024434084 /nfs/dbraw/zinc/43/40/84/1024434084.db2.gz AWNRJZFJDNJNNO-UHFFFAOYSA-N 2 0 332.451 3.806 20 30 EHEDRP CCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000442827846 1025514259 /nfs/dbraw/zinc/51/42/59/1025514259.db2.gz KVHCPVAOWCCXLT-WOJBJXKFSA-N 2 0 325.500 3.961 20 30 EHEDRP C=CCC[C@H](CCC)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423575468 1028522719 /nfs/dbraw/zinc/52/27/19/1028522719.db2.gz QFORCBRPSPOFGR-FQEVSTJZSA-N 2 0 329.532 3.704 20 30 EHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483595145 1031233723 /nfs/dbraw/zinc/23/37/23/1031233723.db2.gz SLGMZSKJYKOYAW-UHFFFAOYSA-N 2 0 332.491 3.882 20 30 EHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900539 1033443396 /nfs/dbraw/zinc/44/33/96/1033443396.db2.gz KBNNQRKCOHRCEH-GCJKJVERSA-N 2 0 342.527 3.868 20 30 EHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900540 1033445436 /nfs/dbraw/zinc/44/54/36/1033445436.db2.gz KBNNQRKCOHRCEH-PGRDOPGGSA-N 2 0 342.527 3.868 20 30 EHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095920 1033702801 /nfs/dbraw/zinc/70/28/01/1033702801.db2.gz TUZGWDHEKQTFLO-NJDAHSKKSA-N 2 0 337.511 3.961 20 30 EHEDRP N#CC1(c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031152 1034505252 /nfs/dbraw/zinc/50/52/52/1034505252.db2.gz VQHPRYUGBGNDQY-NQIIRXRSSA-N 2 0 335.495 3.690 20 30 EHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964677 1035536879 /nfs/dbraw/zinc/53/68/79/1035536879.db2.gz SJMBCSNADLFKIX-OAHLLOKOSA-N 2 0 325.431 4.000 20 30 EHEDRP Cc1cc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)ccc1C#N ZINC000443984968 1036186178 /nfs/dbraw/zinc/18/61/78/1036186178.db2.gz GEOADNFYHPQFCR-KRWDZBQOSA-N 2 0 334.467 3.577 20 30 EHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000542017913 1036966287 /nfs/dbraw/zinc/96/62/87/1036966287.db2.gz YGTDTUPTZYJWDC-UHFFFAOYSA-N 2 0 343.515 3.901 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccccc2-n2ccnc2)cc1 ZINC000113327495 1037782361 /nfs/dbraw/zinc/78/23/61/1037782361.db2.gz UOQOPTLXUCAYQB-UHFFFAOYSA-N 2 0 331.419 3.564 20 30 EHEDRP C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000574004948 1037970255 /nfs/dbraw/zinc/97/02/55/1037970255.db2.gz ANVUIVLQYYUQFS-CQSZACIVSA-N 2 0 339.405 3.789 20 30 EHEDRP C[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000552275785 1039150256 /nfs/dbraw/zinc/15/02/56/1039150256.db2.gz ADFSKKDROFIOTK-FGTMMUONSA-N 2 0 336.401 3.519 20 30 EHEDRP Cc1cc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1C#N ZINC000486677341 1040342341 /nfs/dbraw/zinc/34/23/41/1040342341.db2.gz PIQGBFAZOWHQNH-HXUWFJFHSA-N 2 0 325.500 3.811 20 30 EHEDRP C=CCN1CCC([NH2+][C@@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902796303 1128401538 /nfs/dbraw/zinc/40/15/38/1128401538.db2.gz OYVLIZBDCGYLEK-QFIPXVFZSA-N 2 0 335.495 3.996 20 30 EHEDRP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000609495308 1123592235 /nfs/dbraw/zinc/59/22/35/1123592235.db2.gz RFKDKLNWDAWZGD-UHFFFAOYSA-N 2 0 342.446 3.819 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000237695516 1123819614 /nfs/dbraw/zinc/81/96/14/1123819614.db2.gz BZCXWVQCLBUUOR-SFHVURJKSA-N 2 0 337.467 3.589 20 30 EHEDRP C=CC[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](CC=C)C3)c2)C1 ZINC000625701031 1129985839 /nfs/dbraw/zinc/98/58/39/1129985839.db2.gz GKONBKQIYJKMOH-RTBURBONSA-N 2 0 325.500 3.878 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000733324547 1131025465 /nfs/dbraw/zinc/02/54/65/1131025465.db2.gz JIBPQKJIVNXUMX-OALUTQOASA-N 2 0 328.500 3.546 20 30 EHEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001172493743 1131757916 /nfs/dbraw/zinc/75/79/16/1131757916.db2.gz COANFORBQFLPJJ-SFHVURJKSA-N 2 0 340.515 3.840 20 30 EHEDRP C#CCN(C)CCC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001182110172 1133574055 /nfs/dbraw/zinc/57/40/55/1133574055.db2.gz YZJXQZVJHXUIEH-HNNXBMFYSA-N 2 0 326.406 3.571 20 30 EHEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCCOc1ccc(C#N)cc1 ZINC001197285424 1135673372 /nfs/dbraw/zinc/67/33/72/1135673372.db2.gz QDARHTBBIMKCDD-UHFFFAOYSA-N 2 0 329.488 3.525 20 30 EHEDRP [NH2+]=C(Nc1ccc(C2([NH3+])CCC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184989 1137293108 /nfs/dbraw/zinc/29/31/08/1137293108.db2.gz RAXAIPCTTKUOOX-UHFFFAOYSA-N 2 0 331.419 3.920 20 30 EHEDRP N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000886635123 1138104084 /nfs/dbraw/zinc/10/40/84/1138104084.db2.gz WDORZVWXRAFCFR-ZRBLBEILSA-N 2 0 345.490 3.743 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174431688 1139420197 /nfs/dbraw/zinc/42/01/97/1139420197.db2.gz NBGXEWIFPPCFBI-QGZVFWFLSA-N 2 0 337.467 3.740 20 30 EHEDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1C#N ZINC000190906431 1140424241 /nfs/dbraw/zinc/42/42/41/1140424241.db2.gz FJWSRNLTOKLXBX-UHFFFAOYSA-N 2 0 336.483 3.563 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000271070865 1141304477 /nfs/dbraw/zinc/30/44/77/1141304477.db2.gz LMUUJPHMKKDYRI-UHFFFAOYSA-N 2 0 337.511 3.855 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729981 1032435253 /nfs/dbraw/zinc/43/52/53/1032435253.db2.gz LEVFRCDIDZSEFR-SLFFLAALSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000924612950 1017874552 /nfs/dbraw/zinc/87/45/52/1017874552.db2.gz NPNDSWFOQWSXJA-SQNIBIBYSA-N 2 0 343.515 3.714 20 30 EHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535976 1032968426 /nfs/dbraw/zinc/96/84/26/1032968426.db2.gz UIWKWMPMPSACMO-ICSRJNTNSA-N 2 0 347.547 3.720 20 30 EHEDRP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000178176915 1021933505 /nfs/dbraw/zinc/93/35/05/1021933505.db2.gz BTGNCKFGJQTTJO-GOSISDBHSA-N 2 0 333.479 3.916 20 30 EHEDRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000610829924 1023779472 /nfs/dbraw/zinc/77/94/72/1023779472.db2.gz SANASUFYPGJVOG-IRXDYDNUSA-N 2 0 337.467 3.910 20 30 EHEDRP Cc1ccc(-n2ccnc2)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000329891040 1024237625 /nfs/dbraw/zinc/23/76/25/1024237625.db2.gz HGHFKHBCYYWMMC-ALOPSCKCSA-N 2 0 338.455 3.501 20 30 EHEDRP C=CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026942 1024468232 /nfs/dbraw/zinc/46/82/32/1024468232.db2.gz MKQQXYVXOMODIW-MXNKGDRCSA-N 2 0 341.543 3.668 20 30 EHEDRP C[C@@H](CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982714 1033285064 /nfs/dbraw/zinc/28/50/64/1033285064.db2.gz XENCSWUWPUNHIX-USYVTKNRSA-N 2 0 330.520 3.651 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237538264 1027684455 /nfs/dbraw/zinc/68/44/55/1027684455.db2.gz FORUFPXQGFQKFA-LJQANCHMSA-N 2 0 328.500 3.690 20 30 EHEDRP C[N@H+](CCCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000453604323 1030394032 /nfs/dbraw/zinc/39/40/32/1030394032.db2.gz ZFCXTSIDADHCKW-UHFFFAOYSA-N 2 0 325.378 3.541 20 30 EHEDRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)ccc1F ZINC000594921333 1033547619 /nfs/dbraw/zinc/54/76/19/1033547619.db2.gz HQYGEDMIZVYVSB-UHFFFAOYSA-N 2 0 337.442 3.732 20 30 EHEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055704 1033632743 /nfs/dbraw/zinc/63/27/43/1033632743.db2.gz HVAKFDXFVVFRIV-LJQANCHMSA-N 2 0 347.506 3.786 20 30 EHEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccc(C#N)cc3)CC2)C1 ZINC000595056766 1033634964 /nfs/dbraw/zinc/63/49/64/1033634964.db2.gz WAEPCBSTEXIMDG-UWJYYQICSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323753 1033742166 /nfs/dbraw/zinc/74/21/66/1033742166.db2.gz OPENWRJYUGPWIR-RXVVDRJESA-N 2 0 325.500 3.687 20 30 EHEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000170911742 1033830750 /nfs/dbraw/zinc/83/07/50/1033830750.db2.gz ZDLDTVMUHBZEJN-UHFFFAOYSA-N 2 0 336.483 3.826 20 30 EHEDRP CC(C)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(C#N)cc1 ZINC000596984035 1034481630 /nfs/dbraw/zinc/48/16/30/1034481630.db2.gz NVCDFNNCIFIKGP-UHFFFAOYSA-N 2 0 345.450 3.797 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929775 1036567081 /nfs/dbraw/zinc/56/70/81/1036567081.db2.gz FQWQWNMCYKTBPE-NQIIRXRSSA-N 2 0 349.478 3.589 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237500381 1039304710 /nfs/dbraw/zinc/30/47/10/1039304710.db2.gz XWGYJRHGIVTSFA-ZWKOTPCHSA-N 2 0 329.488 3.722 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000236926991 1040229694 /nfs/dbraw/zinc/22/96/94/1040229694.db2.gz DXWQKMMTUXYURN-UHFFFAOYSA-N 2 0 336.479 3.830 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001167837919 1043046659 /nfs/dbraw/zinc/04/66/59/1043046659.db2.gz NVIXBCXIRFWYGD-SFHVURJKSA-N 2 0 343.515 3.912 20 30 EHEDRP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172495596 1131758557 /nfs/dbraw/zinc/75/85/57/1131758557.db2.gz GLHUYIDTUKHWTL-INIZCTEOSA-N 2 0 344.503 3.804 20 30 EHEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H](C)Cc1ccccc1Cl ZINC001170267804 1134728183 /nfs/dbraw/zinc/72/81/83/1134728183.db2.gz YTAPFLMZBXGRCX-CQSZACIVSA-N 2 0 329.875 3.938 20 30 EHEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C1 ZINC001199336429 1135895642 /nfs/dbraw/zinc/89/56/42/1135895642.db2.gz OIZNTKLVXCCDMK-UGKGYDQZSA-N 2 0 341.543 3.659 20 30 EHEDRP C[NH+]1CCN(c2cc(Nc3sc4ccccc4c3C#N)cc[nH+]2)CC1 ZINC001201654159 1136051571 /nfs/dbraw/zinc/05/15/71/1136051571.db2.gz IJTIZEMKINKFBB-UHFFFAOYSA-N 2 0 349.463 3.663 20 30 EHEDRP C[C@@]1(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@]1(F)Cl ZINC000846033241 1137328127 /nfs/dbraw/zinc/32/81/27/1137328127.db2.gz OIMZIHIZFQGRHX-RTBURBONSA-N 2 0 349.881 3.817 20 30 EHEDRP SC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076255 1137530669 /nfs/dbraw/zinc/53/06/69/1137530669.db2.gz XGXUHTUFCZYSLJ-BWTSREIZSA-N 2 0 330.541 3.966 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319102 1137546857 /nfs/dbraw/zinc/54/68/57/1137546857.db2.gz KZXIUSIECAXFPK-WMZHIEFXSA-N 2 0 347.506 3.943 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172289569 1137548222 /nfs/dbraw/zinc/54/82/22/1137548222.db2.gz FMUQIQFFDMRVSX-PGRDOPGGSA-N 2 0 333.479 3.601 20 30 EHEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268917397 1141025031 /nfs/dbraw/zinc/02/50/31/1141025031.db2.gz VMWZFXFQKGFNBT-KNQAVFIVSA-N 2 0 341.543 3.670 20 30 EHEDRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000154325221 1015367496 /nfs/dbraw/zinc/36/74/96/1015367496.db2.gz XCSPMEOKGHEQHM-IRXDYDNUSA-N 2 0 337.467 3.910 20 30 EHEDRP CN(Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449257517 1032365215 /nfs/dbraw/zinc/36/52/15/1032365215.db2.gz MMBIUPIUTKBUDU-KBWCOIMZSA-N 2 0 325.500 3.959 20 30 EHEDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000610271193 1017120682 /nfs/dbraw/zinc/12/06/82/1017120682.db2.gz JBXYVDPKQVLBJM-UWJYYQICSA-N 2 0 349.478 3.710 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470721 1032910673 /nfs/dbraw/zinc/91/06/73/1032910673.db2.gz FISXSLMEXMQHRX-QHAWAJNXSA-N 2 0 331.463 3.703 20 30 EHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cccc(C#N)n1 ZINC000602515176 1032926355 /nfs/dbraw/zinc/92/63/55/1032926355.db2.gz NTTXUDDZDIGXJB-KRWDZBQOSA-N 2 0 334.467 3.617 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CCc3ccccc3C2)cc1 ZINC000237487059 1033093833 /nfs/dbraw/zinc/09/38/33/1033093833.db2.gz UBIQPGSINNDTCA-SFHVURJKSA-N 2 0 349.478 3.515 20 30 EHEDRP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302151796 1027071816 /nfs/dbraw/zinc/07/18/16/1027071816.db2.gz HYIORXYYOZOYJX-UHFFFAOYSA-N 2 0 340.427 3.904 20 30 EHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900536 1033443628 /nfs/dbraw/zinc/44/36/28/1033443628.db2.gz KBNNQRKCOHRCEH-AVRDEDQJSA-N 2 0 342.527 3.868 20 30 EHEDRP C[C@H](CC[NH+]1CCC[C@@H](CC#N)C1)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595622890 1033905368 /nfs/dbraw/zinc/90/53/68/1033905368.db2.gz FKONODJINZBSLC-ACDBMABISA-N 2 0 330.520 3.654 20 30 EHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000057973432 1035340916 /nfs/dbraw/zinc/34/09/16/1035340916.db2.gz GCXBHKNSWNMVDM-UHFFFAOYSA-N 2 0 325.481 3.622 20 30 EHEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000594722865 1036174520 /nfs/dbraw/zinc/17/45/20/1036174520.db2.gz UPKKQTJJSBCIPA-KRWDZBQOSA-N 2 0 334.467 3.516 20 30 EHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000589336424 1036350169 /nfs/dbraw/zinc/35/01/69/1036350169.db2.gz DNKNISPHNHCNCM-CBGDNZLLSA-N 2 0 325.500 3.893 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000589350828 1036370726 /nfs/dbraw/zinc/37/07/26/1036370726.db2.gz HOIYFGUYJHHAAV-NJYVYQBISA-N 2 0 325.500 3.961 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538858129 1038579643 /nfs/dbraw/zinc/57/96/43/1038579643.db2.gz PEILRQVELZMYCL-UHFFFAOYSA-N 2 0 325.500 3.892 20 30 EHEDRP C=CCC1([NH2+]CC2(C[NH2+]C3(CC=C)CCCC3)COC2)CCCC1 ZINC000661850852 1042364152 /nfs/dbraw/zinc/36/41/52/1042364152.db2.gz ALQLUQDDHMRIEE-UHFFFAOYSA-N 2 0 332.532 3.960 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001167838678 1043045869 /nfs/dbraw/zinc/04/58/69/1043045869.db2.gz VWKXBKDSWSCNCD-AZUAARDMSA-N 2 0 343.515 3.912 20 30 EHEDRP CCC[NH+]1CCN(c2ccccc2C=[NH+]OCc2ccccc2)CC1 ZINC000915959951 1121993424 /nfs/dbraw/zinc/99/34/24/1121993424.db2.gz LWAXLWPJBPJBGF-UHFFFAOYSA-N 2 0 337.467 3.769 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237538348 1123080712 /nfs/dbraw/zinc/08/07/12/1123080712.db2.gz ZONILXIRRIOJBC-QZTJIDSGSA-N 2 0 329.488 3.579 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000922510089 1129558041 /nfs/dbraw/zinc/55/80/41/1129558041.db2.gz SRHRCAFWXLHQEB-FQVISZRSSA-N 2 0 341.499 3.864 20 30 EHEDRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107934 1130323083 /nfs/dbraw/zinc/32/30/83/1130323083.db2.gz JIIHEMSKMQZZJU-RHSMWYFYSA-N 2 0 325.481 3.859 20 30 EHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506669 1131761913 /nfs/dbraw/zinc/76/19/13/1131761913.db2.gz ZAMHWTXZYXHCPS-HLAWJBBLSA-N 2 0 325.500 3.913 20 30 EHEDRP N#CCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001173327681 1132048440 /nfs/dbraw/zinc/04/84/40/1132048440.db2.gz FNZYRHATDNWRGN-JNXFOVNBSA-N 2 0 337.511 3.959 20 30 EHEDRP N#CCC1CCC([NH+]2CCC(N3CCc4ccccc4C3)CC2)CC1 ZINC001173337560 1132053011 /nfs/dbraw/zinc/05/30/11/1132053011.db2.gz OJJGDWWDXWYZSJ-UHFFFAOYSA-N 2 0 337.511 3.982 20 30 EHEDRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337840 1132053047 /nfs/dbraw/zinc/05/30/47/1132053047.db2.gz UEXAOGHMMFUNOT-VEDCXYSMSA-N 2 0 325.500 3.913 20 30 EHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768926119 1133205222 /nfs/dbraw/zinc/20/52/22/1133205222.db2.gz IUIZNVDCWURIDM-UHFFFAOYSA-N 2 0 342.531 3.589 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817919735 1136846188 /nfs/dbraw/zinc/84/61/88/1136846188.db2.gz VIJHZFXEGBUQBI-NZSAHSFTSA-N 2 0 329.488 3.768 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1 ZINC001171398346 1137471177 /nfs/dbraw/zinc/47/11/77/1137471177.db2.gz TZTYCVBCWWSOAU-PMACEKPBSA-N 2 0 349.478 3.867 20 30 EHEDRP CC1(C)C[C@H](NC(=[NH2+])c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972772 1137524002 /nfs/dbraw/zinc/52/40/02/1137524002.db2.gz SJPSRNKBQFEOCW-HXUWFJFHSA-N 2 0 346.478 3.707 20 30 EHEDRP Cc1ccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)cc1C ZINC000104155682 1139196595 /nfs/dbraw/zinc/19/65/95/1139196595.db2.gz IBMSWVPIUQDYHI-QGZVFWFLSA-N 2 0 342.512 3.929 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]CC(C)(C)CCC#N)CC2)cc1 ZINC000174323074 1139414403 /nfs/dbraw/zinc/41/44/03/1139414403.db2.gz RWFRAHQGKTXWGY-UHFFFAOYSA-N 2 0 343.515 3.827 20 30 EHEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000182000554 1139945151 /nfs/dbraw/zinc/94/51/51/1139945151.db2.gz VTVOAYKMUHBHMM-GOSISDBHSA-N 2 0 329.488 3.896 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190771274 1140417870 /nfs/dbraw/zinc/41/78/70/1140417870.db2.gz ROQAAIIPULCYFX-QGZVFWFLSA-N 2 0 336.483 3.561 20 30 EHEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000892989285 1018086263 /nfs/dbraw/zinc/08/62/63/1018086263.db2.gz NXQULGOMRXZZML-UHFFFAOYSA-N 2 0 325.481 3.718 20 30 EHEDRP CCC(CC)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602513057 1032947906 /nfs/dbraw/zinc/94/79/06/1032947906.db2.gz ZAENPRQAZJOKCD-MJGOQNOKSA-N 2 0 335.536 3.576 20 30 EHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000602581790 1033002010 /nfs/dbraw/zinc/00/20/10/1033002010.db2.gz KYFZFKHLJFQVIG-HDYDNRTBSA-N 2 0 347.547 3.718 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000276974356 1023510690 /nfs/dbraw/zinc/51/06/90/1023510690.db2.gz QNCTVXGQDAQIJL-QGZVFWFLSA-N 2 0 336.483 3.561 20 30 EHEDRP C[C@@H](CCC#N)C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740580 1024778468 /nfs/dbraw/zinc/77/84/68/1024778468.db2.gz WSKPPCUOLATHBN-GBESFXJTSA-N 2 0 343.515 3.667 20 30 EHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015607 1024779613 /nfs/dbraw/zinc/77/96/13/1024779613.db2.gz BWRJDQYEPQLRAT-XMSQKQJNSA-N 2 0 333.479 3.753 20 30 EHEDRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC000281606090 1025291184 /nfs/dbraw/zinc/29/11/84/1025291184.db2.gz GEZOBPKSHUXYEU-UHFFFAOYSA-N 2 0 349.478 3.843 20 30 EHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442845296 1025517214 /nfs/dbraw/zinc/51/72/14/1025517214.db2.gz XMGFAPORWDBZEA-UHFFFAOYSA-N 2 0 343.515 3.901 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000611586675 1025900928 /nfs/dbraw/zinc/90/09/28/1025900928.db2.gz GTUNYTZDEZURHI-RJGXRXQPSA-N 2 0 345.490 3.949 20 30 EHEDRP C=CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475222845 1026400065 /nfs/dbraw/zinc/40/00/65/1026400065.db2.gz DGNLRDZZZLROOS-OAQYLSRUSA-N 2 0 336.479 3.863 20 30 EHEDRP C[C@H]1C[NH+](CCC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000093844479 1030683642 /nfs/dbraw/zinc/68/36/42/1030683642.db2.gz LILNCBAZDWTSHM-ROUUACIJSA-N 2 0 335.536 3.528 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)ccc1OC ZINC000119830187 1034232412 /nfs/dbraw/zinc/23/24/12/1034232412.db2.gz KGPWMUFHCWYPNM-UHFFFAOYSA-N 2 0 346.515 3.860 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000061557061 1034348203 /nfs/dbraw/zinc/34/82/03/1034348203.db2.gz OOUMDWABXFBSMU-UHFFFAOYSA-N 2 0 334.463 3.584 20 30 EHEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOc3ccc(C#N)cc3)CC2)C1 ZINC000090107834 1036046606 /nfs/dbraw/zinc/04/66/06/1036046606.db2.gz JAWASXXDWFMUEC-FXAWDEMLSA-N 2 0 341.499 3.570 20 30 EHEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1F ZINC000491765409 1037659797 /nfs/dbraw/zinc/65/97/97/1037659797.db2.gz DCXNNICYNMNYEQ-IBGZPJMESA-N 2 0 343.833 3.807 20 30 EHEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513231 1038432732 /nfs/dbraw/zinc/43/27/32/1038432732.db2.gz KENUJALHNJKZMX-QRVBRYPASA-N 2 0 343.515 3.998 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)CC(C)(C)C#N)CC2)cc1 ZINC000924857439 1040818561 /nfs/dbraw/zinc/81/85/61/1040818561.db2.gz VAHNZOITVLAXDK-KRWDZBQOSA-N 2 0 343.515 3.825 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000764965109 1127559864 /nfs/dbraw/zinc/55/98/64/1127559864.db2.gz ICDGXHQPBCSDIG-LJQANCHMSA-N 2 0 328.500 3.861 20 30 EHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207004 1128071101 /nfs/dbraw/zinc/07/11/01/1128071101.db2.gz HEFTXHORVNLCLC-OXKPJDFFSA-N 2 0 325.500 3.817 20 30 EHEDRP Cc1cc(C#N)ccc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186246316 1128357268 /nfs/dbraw/zinc/35/72/68/1128357268.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 2 0 333.479 3.821 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1CCCNCc1cccc(OCCCC#N)c1 ZINC000237675556 1123805669 /nfs/dbraw/zinc/80/56/69/1123805669.db2.gz QEDRIUJKLIIAPR-GOSISDBHSA-N 2 0 329.488 3.723 20 30 EHEDRP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806662 1125207806 /nfs/dbraw/zinc/20/78/06/1125207806.db2.gz RDFUIRWHHKKTFH-KSFYIVLOSA-N 2 0 349.478 3.837 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000922510094 1129557877 /nfs/dbraw/zinc/55/78/77/1129557877.db2.gz SRHRCAFWXLHQEB-OCDPCBSRSA-N 2 0 341.499 3.864 20 30 EHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000124930423 1129645701 /nfs/dbraw/zinc/64/57/01/1129645701.db2.gz IGTMAYMVFWWXGU-UHFFFAOYSA-N 2 0 337.467 3.698 20 30 EHEDRP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831812 1130175469 /nfs/dbraw/zinc/17/54/69/1130175469.db2.gz SOAAKSIRBHTUBT-GHTZIAJQSA-N 2 0 333.479 3.867 20 30 EHEDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107936 1130323034 /nfs/dbraw/zinc/32/30/34/1130323034.db2.gz JIIHEMSKMQZZJU-YOEHRIQHSA-N 2 0 325.481 3.859 20 30 EHEDRP C#CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324643 1131025163 /nfs/dbraw/zinc/02/51/63/1131025163.db2.gz PXJWLXJSAUMBIC-KDURUIRLSA-N 2 0 328.500 3.546 20 30 EHEDRP C=CCOC1CCC([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC001173319861 1132060683 /nfs/dbraw/zinc/06/06/83/1132060683.db2.gz YVSBNRJYHKDPOL-LWEYNCJUSA-N 2 0 332.532 3.911 20 30 EHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)cc1 ZINC001168839773 1132577541 /nfs/dbraw/zinc/57/75/41/1132577541.db2.gz WUKDQWLFDCDZMS-UHFFFAOYSA-N 2 0 326.871 3.885 20 30 EHEDRP C#CCCOc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000769498054 1133301442 /nfs/dbraw/zinc/30/14/42/1133301442.db2.gz KQJVVXAPXUQRSD-UHFFFAOYSA-N 2 0 328.500 3.643 20 30 EHEDRP C=CC(C)(C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC001203234767 1134612659 /nfs/dbraw/zinc/61/26/59/1134612659.db2.gz IONRKFXQIQRTIG-UHFFFAOYSA-N 2 0 329.532 3.909 20 30 EHEDRP N#CC[C@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000852318812 1136447677 /nfs/dbraw/zinc/44/76/77/1136447677.db2.gz CBIMIMYPNVWYKP-WOJBJXKFSA-N 2 0 330.520 3.798 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817919868 1136846446 /nfs/dbraw/zinc/84/64/46/1136846446.db2.gz WBIPNMKUMRJQOJ-BVOGOJNSSA-N 2 0 341.499 3.768 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172305389 1137545422 /nfs/dbraw/zinc/54/54/22/1137545422.db2.gz RYXOLWGNTVBZAN-GOSISDBHSA-N 2 0 337.511 3.830 20 30 EHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000348316876 1137945853 /nfs/dbraw/zinc/94/58/53/1137945853.db2.gz HNEMIFPBCVBFDK-OALUTQOASA-N 2 0 335.536 3.577 20 30 EHEDRP C[NH+]([C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([N@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389243 1138073270 /nfs/dbraw/zinc/07/32/70/1138073270.db2.gz AHZOZINUHHFSKD-DNDRQTMDSA-N 2 0 328.504 3.546 20 30 EHEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681912 1139924327 /nfs/dbraw/zinc/92/43/27/1139924327.db2.gz JMMOFUKJOLXCPA-NQIIRXRSSA-N 2 0 333.479 3.773 20 30 EHEDRP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000271069856 1141303908 /nfs/dbraw/zinc/30/39/08/1141303908.db2.gz LAIXEVLQXQJPGN-KMFTYDHNSA-N 2 0 325.500 3.712 20 30 EHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000449179734 1032294480 /nfs/dbraw/zinc/29/44/80/1032294480.db2.gz WQVCOPZGFMXBAG-GOSISDBHSA-N 2 0 330.516 3.868 20 30 EHEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000459727773 1032433355 /nfs/dbraw/zinc/43/33/55/1032433355.db2.gz HJIJGEDDZQVTOU-PELRDEGISA-N 2 0 325.500 3.712 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000602020047 1032593405 /nfs/dbraw/zinc/59/34/05/1032593405.db2.gz IMIOOQPGEWJHCV-UHFFFAOYSA-N 2 0 345.490 3.826 20 30 EHEDRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000610271185 1017121172 /nfs/dbraw/zinc/12/11/72/1017121172.db2.gz HPYGQJTULRZXMV-DYESRHJHSA-N 2 0 349.478 3.710 20 30 EHEDRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602592042 1032990057 /nfs/dbraw/zinc/99/00/57/1032990057.db2.gz GXXLHFQQDIIENC-SFHVURJKSA-N 2 0 343.515 3.715 20 30 EHEDRP N#CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000602608279 1033024767 /nfs/dbraw/zinc/02/47/67/1033024767.db2.gz LSOOBGWAHOCVQD-JNXFOVNBSA-N 2 0 337.511 3.959 20 30 EHEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810025 1023651539 /nfs/dbraw/zinc/65/15/39/1023651539.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 2 0 326.484 3.700 20 30 EHEDRP Fc1ccc(C#CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443588403 1024180339 /nfs/dbraw/zinc/18/03/39/1024180339.db2.gz DGIHDTHNFRWLSK-UHFFFAOYSA-N 2 0 328.475 3.765 20 30 EHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093006871 1026724374 /nfs/dbraw/zinc/72/43/74/1026724374.db2.gz LKWSQZCSWYGLRM-UHFFFAOYSA-N 2 0 339.508 3.964 20 30 EHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCCCC[NH+]2CCCCC2)cc1 ZINC000304741469 1027766127 /nfs/dbraw/zinc/76/61/27/1027766127.db2.gz CDWVCURZAGFISV-UHFFFAOYSA-N 2 0 346.519 3.857 20 30 EHEDRP CC[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278220736 1029723281 /nfs/dbraw/zinc/72/32/81/1029723281.db2.gz JCBVLGJEQMBYEE-QFIPXVFZSA-N 2 0 349.478 3.631 20 30 EHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649396 /nfs/dbraw/zinc/64/93/96/1030649396.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 2 0 329.488 3.531 20 30 EHEDRP [NH2+]=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2c(c1)CCC2 ZINC000170911797 1033831489 /nfs/dbraw/zinc/83/14/89/1033831489.db2.gz MXQQGXGBIXDAMZ-UHFFFAOYSA-N 2 0 348.494 3.698 20 30 EHEDRP CC1(C)C[N@H+](CCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590228 1034307926 /nfs/dbraw/zinc/30/79/26/1034307926.db2.gz DQSVFXXZXOGEHC-FQEVSTJZSA-N 2 0 325.500 3.913 20 30 EHEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595299240 1037971130 /nfs/dbraw/zinc/97/11/30/1037971130.db2.gz XTQAMZBYIVHJJM-NRFANRHFSA-N 2 0 325.500 3.545 20 30 EHEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000282125573 1121846863 /nfs/dbraw/zinc/84/68/63/1121846863.db2.gz BBTSAWYMTNMOFU-GBJCSSAMSA-N 2 0 337.511 3.817 20 30 EHEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccco1 ZINC000658071152 1130120282 /nfs/dbraw/zinc/12/02/82/1130120282.db2.gz VESOBCPHGYXBSG-LJQANCHMSA-N 2 0 332.488 3.768 20 30 EHEDRP Cc1ccccc1NC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000170911516 1131936441 /nfs/dbraw/zinc/93/64/41/1131936441.db2.gz KDSDWHILRRJYTR-UHFFFAOYSA-N 2 0 342.512 3.695 20 30 EHEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000809604694 1135856572 /nfs/dbraw/zinc/85/65/72/1135856572.db2.gz XUCZPNRUAGSYEY-KDURUIRLSA-N 2 0 348.490 3.567 20 30 EHEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000747630701 1136007290 /nfs/dbraw/zinc/00/72/90/1136007290.db2.gz YIIOOLNADIOMLX-UHFFFAOYSA-N 2 0 347.466 3.937 20 30 EHEDRP C/C(N[C@H]1CCc2cccc(Cl)c2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001170913636 1136887107 /nfs/dbraw/zinc/88/71/07/1136887107.db2.gz GVCONKNFGJICDD-SFHVURJKSA-N 2 0 341.886 3.864 20 30 EHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617378 1137369964 /nfs/dbraw/zinc/36/99/64/1137369964.db2.gz IBSQGRZYWDYZLN-XGRCMKMKSA-N 2 0 337.511 3.658 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000772958277 1137380432 /nfs/dbraw/zinc/38/04/32/1137380432.db2.gz WLKDIRZWUVIYGR-FQEVSTJZSA-N 2 0 328.500 3.546 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773078158 1137463743 /nfs/dbraw/zinc/46/37/43/1137463743.db2.gz VFEPCLQUQXJLOH-RBUKOAKNSA-N 2 0 328.500 3.717 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172289824 1137548043 /nfs/dbraw/zinc/54/80/43/1137548043.db2.gz IQKYZSQYJODQHY-XXBNENTESA-N 2 0 347.506 3.991 20 30 EHEDRP CCC(CC)(CNC(=[NH2+])Nc1ccccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000178574022 1139705468 /nfs/dbraw/zinc/70/54/68/1139705468.db2.gz SFKOCTMBPZSUOY-INIZCTEOSA-N 2 0 339.487 3.718 20 30 EHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000181511120 1139911449 /nfs/dbraw/zinc/91/14/49/1139911449.db2.gz CTLQQLOSODCGTB-ROUUACIJSA-N 2 0 329.488 3.894 20 30 EHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181866662 1139937396 /nfs/dbraw/zinc/93/73/96/1139937396.db2.gz XKLLJGAHLULMBY-SFHVURJKSA-N 2 0 343.515 3.998 20 30 EHEDRP C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697130 1140164123 /nfs/dbraw/zinc/16/41/23/1140164123.db2.gz RXNQFNIAODAGLW-IEBWSBKVSA-N 2 0 341.499 3.570 20 30 EHEDRP Cc1nc(CN2CCC(C[NH2+]C3CCC(C)(C#N)CC3)CC2)oc1C ZINC000449121258 1032211946 /nfs/dbraw/zinc/21/19/46/1032211946.db2.gz HALXVBWVNDNESN-UHFFFAOYSA-N 2 0 344.503 3.566 20 30 EHEDRP CCc1cccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000170911779 1017119648 /nfs/dbraw/zinc/11/96/48/1017119648.db2.gz GNCAIBWBGORHJV-UHFFFAOYSA-N 2 0 336.483 3.772 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470720 1032911551 /nfs/dbraw/zinc/91/15/51/1032911551.db2.gz FISXSLMEXMQHRX-PWRODBHTSA-N 2 0 331.463 3.703 20 30 EHEDRP CCC(CC)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602513056 1032947863 /nfs/dbraw/zinc/94/78/63/1032947863.db2.gz ZAENPRQAZJOKCD-IEBWSBKVSA-N 2 0 335.536 3.576 20 30 EHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000276974353 1023511092 /nfs/dbraw/zinc/51/10/92/1023511092.db2.gz QNCTVXGQDAQIJL-KRWDZBQOSA-N 2 0 336.483 3.561 20 30 EHEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808573 1023659833 /nfs/dbraw/zinc/65/98/33/1023659833.db2.gz MXXKYVKQKDLORK-GHTZIAJQSA-N 2 0 326.484 3.700 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000435730557 1025098397 /nfs/dbraw/zinc/09/83/97/1025098397.db2.gz FMZSBDPBOOZTKF-UXHICEINSA-N 2 0 330.516 3.715 20 30 EHEDRP [NH2+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cc(F)ccc1F ZINC000262298125 1026049654 /nfs/dbraw/zinc/04/96/54/1026049654.db2.gz PLNZCELZJBTJKE-GOSISDBHSA-N 2 0 344.409 3.529 20 30 EHEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304465027 1027754402 /nfs/dbraw/zinc/75/44/02/1027754402.db2.gz AVOKJWCWERRCGH-UHFFFAOYSA-N 2 0 340.471 3.793 20 30 EHEDRP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CCCCCC1 ZINC000305740127 1027877534 /nfs/dbraw/zinc/87/75/34/1027877534.db2.gz CHWWVXYKFJUJSS-MRXNPFEDSA-N 2 0 334.533 3.512 20 30 EHEDRP C[NH+](C)C1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000421377036 1028337728 /nfs/dbraw/zinc/33/77/28/1028337728.db2.gz SSJJEBFUENOSTB-UHFFFAOYSA-N 2 0 325.500 3.853 20 30 EHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131847 1032045513 /nfs/dbraw/zinc/04/55/13/1032045513.db2.gz KUPMIQJIWXWPGZ-AZUAARDMSA-N 2 0 349.478 3.762 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594944284 1033590751 /nfs/dbraw/zinc/59/07/51/1033590751.db2.gz SNAJBLJFYYKWFS-MJGOQNOKSA-N 2 0 337.511 3.984 20 30 EHEDRP N#Cc1ccccc1OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443592296 1036627038 /nfs/dbraw/zinc/62/70/38/1036627038.db2.gz RCYPHHNCBFSURQ-UHFFFAOYSA-N 2 0 341.499 3.525 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000171130606 1037478112 /nfs/dbraw/zinc/47/81/12/1037478112.db2.gz FFOKGUIXELJPCY-QGZVFWFLSA-N 2 0 337.467 3.740 20 30 EHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000574005043 1037969914 /nfs/dbraw/zinc/96/99/14/1037969914.db2.gz BFPNMRODGNSMFI-NFBKMPQASA-N 2 0 345.490 3.700 20 30 EHEDRP C=CCCCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488220551 1038973115 /nfs/dbraw/zinc/97/31/15/1038973115.db2.gz OCEPKZDLUJJQMG-UHFFFAOYSA-N 2 0 335.580 3.861 20 30 EHEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3cc(F)c(OC)cc23)CC1 ZINC000479993338 1038984536 /nfs/dbraw/zinc/98/45/36/1038984536.db2.gz PARZAUNISCEILT-UHFFFAOYSA-N 2 0 329.419 3.835 20 30 EHEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520455 1039192545 /nfs/dbraw/zinc/19/25/45/1039192545.db2.gz ZDDQCUOAILMSCR-AYWYSENESA-N 2 0 325.500 3.817 20 30 EHEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000282125594 1121847483 /nfs/dbraw/zinc/84/74/83/1121847483.db2.gz BBTSAWYMTNMOFU-NEBGQFLZSA-N 2 0 337.511 3.817 20 30 EHEDRP C=CC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022319 1129818110 /nfs/dbraw/zinc/81/81/10/1129818110.db2.gz RDAPCHNKUMIBJA-DYESRHJHSA-N 2 0 339.483 3.990 20 30 EHEDRP CN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276073 1130368405 /nfs/dbraw/zinc/36/84/05/1130368405.db2.gz VHIMSXOBLMBCPN-HKUYNNGSSA-N 2 0 325.481 3.792 20 30 EHEDRP C[C@H](CCCC#N)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172499630 1131759953 /nfs/dbraw/zinc/75/99/53/1131759953.db2.gz YUWVWAUPEIZDDQ-RSRIQPTJSA-N 2 0 327.516 3.964 20 30 EHEDRP N#CCC1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336905 1132052926 /nfs/dbraw/zinc/05/29/26/1132052926.db2.gz QUMHNKCRFFYLFE-KSBZDLFUSA-N 2 0 337.511 3.913 20 30 EHEDRP C=CC[C@@H](CC)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001181266640 1133474220 /nfs/dbraw/zinc/47/42/20/1133474220.db2.gz MARKDYSKFMLYNE-LJQANCHMSA-N 2 0 345.487 3.794 20 30 EHEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775419984 1134764700 /nfs/dbraw/zinc/76/47/00/1134764700.db2.gz FCFVOBUVNDAGTD-ZWKOTPCHSA-N 2 0 346.515 3.516 20 30 EHEDRP CCC[NH+]1C[C@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398370 1134765393 /nfs/dbraw/zinc/76/53/93/1134765393.db2.gz PDHNWEVDIJVQIZ-CDNGDFIJSA-N 2 0 337.511 3.664 20 30 EHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194871 1137301407 /nfs/dbraw/zinc/30/14/07/1137301407.db2.gz MYVFCDRCXNQHPI-QGZVFWFLSA-N 2 0 327.516 3.979 20 30 EHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173394 1137847270 /nfs/dbraw/zinc/84/72/70/1137847270.db2.gz KAWSVIJDJJCCJZ-JKBKZWBZSA-N 2 0 326.484 3.541 20 30 EHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173395 1137847275 /nfs/dbraw/zinc/84/72/75/1137847275.db2.gz KAWSVIJDJJCCJZ-WERVVEIQSA-N 2 0 326.484 3.541 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185782042 1140169428 /nfs/dbraw/zinc/16/94/28/1140169428.db2.gz NATIYHZXXUGQLA-HKUYNNGSSA-N 2 0 329.488 3.579 20 30 EHEDRP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516778 1016800107 /nfs/dbraw/zinc/80/01/07/1016800107.db2.gz OQIDHRRQWVLCBD-JOCHJYFZSA-N 2 0 349.478 3.569 20 30 EHEDRP CN(Cc1ccccc1)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449257618 1032363772 /nfs/dbraw/zinc/36/37/72/1032363772.db2.gz MMBIUPIUTKBUDU-NYLDSWQDSA-N 2 0 325.500 3.959 20 30 EHEDRP CN1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975471 1017547503 /nfs/dbraw/zinc/54/75/03/1017547503.db2.gz LTTCMBKOEGFOKA-CXAGYDPISA-N 2 0 331.510 3.854 20 30 EHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000506866828 1022956572 /nfs/dbraw/zinc/95/65/72/1022956572.db2.gz JVKSTNNQXHKFNJ-UHFFFAOYSA-N 2 0 346.515 3.814 20 30 EHEDRP N#CCSCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159169913 1026512661 /nfs/dbraw/zinc/51/26/61/1026512661.db2.gz DEEXAXGBDXSLFF-PMACEKPBSA-N 2 0 343.540 3.620 20 30 EHEDRP C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)cc1F ZINC000423528927 1028485440 /nfs/dbraw/zinc/48/54/40/1028485440.db2.gz PCZCRIFJGZAIDJ-BMQYYLHXSA-N 2 0 327.447 3.502 20 30 EHEDRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093688453 1030661528 /nfs/dbraw/zinc/66/15/28/1030661528.db2.gz GCYSKQOKDWKRAH-UHFFFAOYSA-N 2 0 343.515 3.923 20 30 EHEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000093844480 1030684071 /nfs/dbraw/zinc/68/40/71/1030684071.db2.gz LILNCBAZDWTSHM-QZTJIDSGSA-N 2 0 335.536 3.528 20 30 EHEDRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131856 1032045837 /nfs/dbraw/zinc/04/58/37/1032045837.db2.gz KUPMIQJIWXWPGZ-UYAOXDASSA-N 2 0 349.478 3.762 20 30 EHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900542 1033443660 /nfs/dbraw/zinc/44/36/60/1033443660.db2.gz KBNNQRKCOHRCEH-XMSQKQJNSA-N 2 0 342.527 3.868 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000177806261 1035398938 /nfs/dbraw/zinc/39/89/38/1035398938.db2.gz QCUFQOJMJNIKSI-QGZVFWFLSA-N 2 0 331.419 3.735 20 30 EHEDRP C[C@@H](CCc1ccco1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271860062 1037516723 /nfs/dbraw/zinc/51/67/23/1037516723.db2.gz KFLSIKUNDHTHBX-KRWDZBQOSA-N 2 0 337.467 3.727 20 30 EHEDRP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000272185780 1120545233 /nfs/dbraw/zinc/54/52/33/1120545233.db2.gz GOMVSAYGXFKTIO-QGZVFWFLSA-N 2 0 349.478 3.839 20 30 EHEDRP C=CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1OC ZINC000922848073 1129690630 /nfs/dbraw/zinc/69/06/30/1129690630.db2.gz MDONVXBVEGLYKR-UHFFFAOYSA-N 2 0 344.499 3.757 20 30 EHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000658034003 1130070616 /nfs/dbraw/zinc/07/06/16/1130070616.db2.gz FRKAILQAJQGNAB-LEWJYISDSA-N 2 0 342.527 3.738 20 30 EHEDRP C[C@]1(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@]1(F)Cl ZINC000846033232 1137328069 /nfs/dbraw/zinc/32/80/69/1137328069.db2.gz OIMZIHIZFQGRHX-OALUTQOASA-N 2 0 349.881 3.817 20 30 EHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617122 1137369850 /nfs/dbraw/zinc/36/98/50/1137369850.db2.gz FMGFDRYTPZXWLC-URZJWIJPSA-N 2 0 337.511 3.658 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1 ZINC001171398357 1137471228 /nfs/dbraw/zinc/47/12/28/1137471228.db2.gz TZTYCVBCWWSOAU-UXHICEINSA-N 2 0 349.478 3.867 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172290786 1137548073 /nfs/dbraw/zinc/54/80/73/1137548073.db2.gz FWTBOJJKWHTCCH-GOSISDBHSA-N 2 0 333.479 3.875 20 30 EHEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001172349893 1137553338 /nfs/dbraw/zinc/55/33/38/1137553338.db2.gz HDDNOODHBPLZRL-FHWLQOOXSA-N 2 0 339.568 3.704 20 30 EHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173396 1137847227 /nfs/dbraw/zinc/84/72/27/1137847227.db2.gz KAWSVIJDJJCCJZ-XODKDNOYSA-N 2 0 326.484 3.541 20 30 EHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000883207352 1137848568 /nfs/dbraw/zinc/84/85/68/1137848568.db2.gz KZOIMSHAWNVOAF-VSKRKVRLSA-N 2 0 342.527 3.531 20 30 EHEDRP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@H+](C)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000886389244 1138073158 /nfs/dbraw/zinc/07/31/58/1138073158.db2.gz AHZOZINUHHFSKD-FFLLIEHLSA-N 2 0 328.504 3.546 20 30 EHEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513197 1139911588 /nfs/dbraw/zinc/91/15/88/1139911588.db2.gz KENUJALHNJKZMX-OTWHNJEPSA-N 2 0 343.515 3.998 20 30 EHEDRP C[NH+](C)CC1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCCC1 ZINC000185292095 1032377401 /nfs/dbraw/zinc/37/74/01/1032377401.db2.gz MIJIVUAGQIZWTG-UHFFFAOYSA-N 2 0 329.488 3.581 20 30 EHEDRP CC(C)C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N(C)C ZINC000507636824 1021406350 /nfs/dbraw/zinc/40/63/50/1021406350.db2.gz OOUAPRBPUHFQCO-NYLDSWQDSA-N 2 0 327.516 3.956 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000435730556 1025098993 /nfs/dbraw/zinc/09/89/93/1025098993.db2.gz FMZSBDPBOOZTKF-PMACEKPBSA-N 2 0 330.516 3.715 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442822771 1025498762 /nfs/dbraw/zinc/49/87/62/1025498762.db2.gz PSDXGRZRZIXYAN-UHFFFAOYSA-N 2 0 329.488 3.511 20 30 EHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000421329313 1028272712 /nfs/dbraw/zinc/27/27/12/1028272712.db2.gz VEXDXKKRRJWGIX-UHFFFAOYSA-N 2 0 325.431 3.827 20 30 EHEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977825 1032055241 /nfs/dbraw/zinc/05/52/41/1032055241.db2.gz WMZGNJRATFNDAW-YHWJGBFKSA-N 2 0 341.499 3.567 20 30 EHEDRP C=CCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003165 1033418956 /nfs/dbraw/zinc/41/89/56/1033418956.db2.gz GZNRFJJZPCFGRF-UHFFFAOYSA-N 2 0 332.488 3.659 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000063551796 1033450116 /nfs/dbraw/zinc/45/01/16/1033450116.db2.gz RKYVGMGHDAPNGG-UHFFFAOYSA-N 2 0 348.490 3.700 20 30 EHEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000170908708 1033828234 /nfs/dbraw/zinc/82/82/34/1033828234.db2.gz PVNUPTYQAXQUAI-UHFFFAOYSA-N 2 0 348.494 3.698 20 30 EHEDRP C[C@H]1C[NH+](CC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000375943683 1034980100 /nfs/dbraw/zinc/98/01/00/1034980100.db2.gz WMQBDTPQMDCNOI-ROUUACIJSA-N 2 0 335.536 3.528 20 30 EHEDRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)ccc1C#N ZINC000443999387 1036271962 /nfs/dbraw/zinc/27/19/62/1036271962.db2.gz SUFNCEHGUPGJRY-UHFFFAOYSA-N 2 0 349.478 3.631 20 30 EHEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591839144 1037646843 /nfs/dbraw/zinc/64/68/43/1037646843.db2.gz YHLVCKBTBGRTFA-QGZVFWFLSA-N 2 0 337.467 3.692 20 30 EHEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000540182269 1037666554 /nfs/dbraw/zinc/66/65/54/1037666554.db2.gz SGFBDXODMMWQOL-CMTQZCSUSA-N 2 0 341.499 3.568 20 30 EHEDRP C=CCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925631940 1040343445 /nfs/dbraw/zinc/34/34/45/1040343445.db2.gz LOSQYTGIRWVCIA-SEJPIABJSA-N 2 0 328.500 3.754 20 30 EHEDRP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176172 1040379135 /nfs/dbraw/zinc/37/91/35/1040379135.db2.gz OKJDVJQWNUGGSD-RXVVDRJESA-N 2 0 337.511 3.936 20 30 EHEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000367905186 1127412381 /nfs/dbraw/zinc/41/23/81/1127412381.db2.gz VYSZDTSTATUNBH-VAMGGRTRSA-N 2 0 325.500 3.817 20 30 EHEDRP Cc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccc1C#N ZINC000618592807 1125116295 /nfs/dbraw/zinc/11/62/95/1125116295.db2.gz JOFXSWGCMBNQHV-UHFFFAOYSA-N 2 0 325.500 3.955 20 30 EHEDRP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000618804292 1125207407 /nfs/dbraw/zinc/20/74/07/1125207407.db2.gz KQMRKNOUNWWKOI-KSFYIVLOSA-N 2 0 349.478 3.837 20 30 EHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1C#N ZINC000092821334 1129562952 /nfs/dbraw/zinc/56/29/52/1129562952.db2.gz ORVMRPGWYGCMTH-UHFFFAOYSA-N 2 0 334.467 3.692 20 30 EHEDRP C=CCOCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000348064921 1131147901 /nfs/dbraw/zinc/14/79/01/1131147901.db2.gz YINCBOHAOGXJQY-UHFFFAOYSA-N 2 0 328.500 3.567 20 30 EHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000817987189 1136855327 /nfs/dbraw/zinc/85/53/27/1136855327.db2.gz XLXZAUSWWNKGSV-LEUOFYLZSA-N 2 0 334.891 3.857 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171179281 1137290789 /nfs/dbraw/zinc/29/07/89/1137290789.db2.gz QNAKTFIZXOLKOH-AUSIDOKSSA-N 2 0 347.506 3.991 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001171204311 1137324551 /nfs/dbraw/zinc/32/45/51/1137324551.db2.gz VMTNSJHESMCSIF-OALUTQOASA-N 2 0 337.511 3.900 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001171221119 1137346798 /nfs/dbraw/zinc/34/67/98/1137346798.db2.gz IJCOSICWOWWARK-RXVVDRJESA-N 2 0 325.500 3.830 20 30 EHEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111105 1137537685 /nfs/dbraw/zinc/53/76/85/1137537685.db2.gz RYFOZWIMOILLGM-MUJYYYPQSA-N 2 0 337.389 3.682 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172299566 1137549135 /nfs/dbraw/zinc/54/91/35/1137549135.db2.gz LQAPXQNWLUXNNV-KRWDZBQOSA-N 2 0 327.516 3.837 20 30 EHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000883207353 1137848632 /nfs/dbraw/zinc/84/86/32/1137848632.db2.gz KZOIMSHAWNVOAF-YPAWHYETSA-N 2 0 342.527 3.531 20 30 EHEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000067120610 1138079870 /nfs/dbraw/zinc/07/98/70/1138079870.db2.gz DDPCTDMMCJAXOA-IBGZPJMESA-N 2 0 342.531 3.638 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886605095 1138101025 /nfs/dbraw/zinc/10/10/25/1138101025.db2.gz JKWNIWDTYNXRAF-YFNVTMOMSA-N 2 0 340.511 3.610 20 30 EHEDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1C#N ZINC000174268167 1139410324 /nfs/dbraw/zinc/41/03/24/1139410324.db2.gz FPSZVLLBPJWQQI-UHFFFAOYSA-N 2 0 337.467 3.697 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185854629 1140173547 /nfs/dbraw/zinc/17/35/47/1140173547.db2.gz PVHGEPLDNOCXLW-PVNBSDQQSA-N 2 0 325.500 3.815 20 30 EHEDRP CC(C)C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000267416940 1140788119 /nfs/dbraw/zinc/78/81/19/1140788119.db2.gz JNWMNCGHERPUEP-FUHWJXTLSA-N 2 0 339.487 3.574 20 30 EHEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000602606744 1033024518 /nfs/dbraw/zinc/02/45/18/1033024518.db2.gz GLHQOEOPPNCELW-GFOJFJKKSA-N 2 0 325.500 3.817 20 30 EHEDRP N#CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000602608284 1033024007 /nfs/dbraw/zinc/02/40/07/1033024007.db2.gz LSOOBGWAHOCVQD-NNRACAPJSA-N 2 0 337.511 3.959 20 30 EHEDRP C=CCOc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960673 /nfs/dbraw/zinc/96/06/73/1023960673.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 2 0 348.531 3.553 20 30 EHEDRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000329670855 1024035649 /nfs/dbraw/zinc/03/56/49/1024035649.db2.gz RXNJUVUMSZXFIP-MRXNPFEDSA-N 2 0 338.455 3.502 20 30 EHEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000398984906 1024746338 /nfs/dbraw/zinc/74/63/38/1024746338.db2.gz GMEYDMVDMWDAFX-XPWALMASSA-N 2 0 345.490 3.753 20 30 EHEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC2CCCCCC2)cc1 ZINC000305748823 1027879199 /nfs/dbraw/zinc/87/91/99/1027879199.db2.gz VZHLWZGAGMPQRQ-UHFFFAOYSA-N 2 0 330.520 3.656 20 30 EHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422987260 1028111065 /nfs/dbraw/zinc/11/10/65/1028111065.db2.gz IBZQCWCYHJVXSO-VAMGGRTRSA-N 2 0 343.540 3.692 20 30 EHEDRP C=CCCCC[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423528979 1028486053 /nfs/dbraw/zinc/48/60/53/1028486053.db2.gz PKSMFEZWKRGNKM-LJQANCHMSA-N 2 0 329.532 3.704 20 30 EHEDRP C[NH+](C/C=C\C[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000255265203 1029362906 /nfs/dbraw/zinc/36/29/06/1029362906.db2.gz LYQQUVGVIUEEOE-ARJAWSKDSA-N 2 0 344.462 3.550 20 30 EHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3ccc(C#N)cc3)CC2)C1 ZINC000595056765 1033635816 /nfs/dbraw/zinc/63/58/16/1033635816.db2.gz WAEPCBSTEXIMDG-UTKZUKDTSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323752 1033739940 /nfs/dbraw/zinc/73/99/40/1033739940.db2.gz OPENWRJYUGPWIR-NQIIRXRSSA-N 2 0 325.500 3.687 20 30 EHEDRP C[N@@H+](CCc1ccc(C#N)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000595409916 1033787012 /nfs/dbraw/zinc/78/70/12/1033787012.db2.gz QLPFYVOHONXGJR-UHFFFAOYSA-N 2 0 348.494 3.734 20 30 EHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000658034008 1033867911 /nfs/dbraw/zinc/86/79/11/1033867911.db2.gz FRKAILQAJQGNAB-SFTDATJTSA-N 2 0 342.527 3.738 20 30 EHEDRP CC(CC[NH+]1CCC[C@@H](CC#N)C1)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595622891 1033906038 /nfs/dbraw/zinc/90/60/38/1033906038.db2.gz FKONODJINZBSLC-PMACEKPBSA-N 2 0 330.520 3.654 20 30 EHEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658135473 1033969708 /nfs/dbraw/zinc/96/97/08/1033969708.db2.gz DXWKXHULAOHVCP-PMACEKPBSA-N 2 0 340.467 3.643 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000120846850 1034183643 /nfs/dbraw/zinc/18/36/43/1034183643.db2.gz QAVPNKBJYPKYND-FQEVSTJZSA-N 2 0 343.515 3.827 20 30 EHEDRP C/C(N[C@H](C)Cc1ccc(Cl)cc1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001168170328 1036106286 /nfs/dbraw/zinc/10/62/86/1036106286.db2.gz JSHWPJCYZFJRBZ-CQSZACIVSA-N 2 0 329.875 3.938 20 30 EHEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000594723209 1036174852 /nfs/dbraw/zinc/17/48/52/1036174852.db2.gz YVLPSRXUGKHYNL-QGZVFWFLSA-N 2 0 334.467 3.516 20 30 EHEDRP N#Cc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311078226 1128979696 /nfs/dbraw/zinc/97/96/96/1128979696.db2.gz WDRRSELGKHXILM-JOCHJYFZSA-N 2 0 333.479 3.950 20 30 EHEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922845046 1129691098 /nfs/dbraw/zinc/69/10/98/1129691098.db2.gz AQBPHHIELYTAIQ-UHFFFAOYSA-N 2 0 325.500 3.984 20 30 EHEDRP C=CC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022323 1129817771 /nfs/dbraw/zinc/81/77/71/1129817771.db2.gz RDAPCHNKUMIBJA-UTKZUKDTSA-N 2 0 339.483 3.990 20 30 EHEDRP N#CCC1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336904 1132053183 /nfs/dbraw/zinc/05/31/83/1132053183.db2.gz QUMHNKCRFFYLFE-IITXJAJYSA-N 2 0 337.511 3.913 20 30 EHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000105448986 1135947979 /nfs/dbraw/zinc/94/79/79/1135947979.db2.gz DQMKUDYIPNBLKP-QGZVFWFLSA-N 2 0 337.467 3.719 20 30 EHEDRP N#CCc1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)cc[nH+]1 ZINC001170646563 1136148883 /nfs/dbraw/zinc/14/88/83/1136148883.db2.gz DHDKGAMFQYWISX-JFHVBQFUSA-N 2 0 346.478 3.780 20 30 EHEDRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCc2ccc(C#N)cn2)CC1 ZINC000824231340 1137129172 /nfs/dbraw/zinc/12/91/72/1137129172.db2.gz MHDCCMYZQDKKES-UHFFFAOYSA-N 2 0 328.504 3.722 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001171175403 1137286452 /nfs/dbraw/zinc/28/64/52/1137286452.db2.gz KFOLTLKNPYEMOS-SFHVURJKSA-N 2 0 333.479 3.875 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001171195310 1137301537 /nfs/dbraw/zinc/30/15/37/1137301537.db2.gz REBPHSPWIPECJS-KRWDZBQOSA-N 2 0 325.500 3.591 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172289821 1137548242 /nfs/dbraw/zinc/54/82/42/1137548242.db2.gz IQKYZSQYJODQHY-AUSIDOKSSA-N 2 0 347.506 3.991 20 30 EHEDRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000180543031 1139844499 /nfs/dbraw/zinc/84/44/99/1139844499.db2.gz SQIBGNZOASJPOW-MRXNPFEDSA-N 2 0 327.472 3.647 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182045502 1139946922 /nfs/dbraw/zinc/94/69/22/1139946922.db2.gz RIVKCDQJYUHJDI-ZWKOTPCHSA-N 2 0 329.488 3.608 20 30 EHEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000449305658 1032425535 /nfs/dbraw/zinc/42/55/35/1032425535.db2.gz TVIIYCFAOOHRRA-LJQANCHMSA-N 2 0 347.506 3.786 20 30 EHEDRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513502200 1019760218 /nfs/dbraw/zinc/76/02/18/1019760218.db2.gz YCAZERYGCMSQHK-PGRDOPGGSA-N 2 0 333.479 3.949 20 30 EHEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)C1 ZINC000602513313 1032948189 /nfs/dbraw/zinc/94/81/89/1032948189.db2.gz FTEXWUXWDZOZRQ-ROUUACIJSA-N 2 0 348.494 3.721 20 30 EHEDRP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544248 1032953763 /nfs/dbraw/zinc/95/37/63/1032953763.db2.gz GQODPIHHVZCBIZ-MSOLQXFVSA-N 2 0 335.536 3.576 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C#N)n2)CC1)CC(C)C ZINC000602665072 1033062509 /nfs/dbraw/zinc/06/25/09/1033062509.db2.gz YUWGYLWFDJLDEP-UHFFFAOYSA-N 2 0 328.504 3.533 20 30 EHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665230437 1024682128 /nfs/dbraw/zinc/68/21/28/1024682128.db2.gz OTMISLVKJMWFGL-SAJDGTNDSA-N 2 0 326.484 3.967 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000153039179 1026965889 /nfs/dbraw/zinc/96/58/89/1026965889.db2.gz SYQJUAVLDKXBQG-NQIIRXRSSA-N 2 0 333.564 3.660 20 30 EHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)CC2 ZINC000423482432 1028461867 /nfs/dbraw/zinc/46/18/67/1028461867.db2.gz XPPKZSRFCYFJGW-KAGYGMCKSA-N 2 0 349.453 3.668 20 30 EHEDRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000447585009 1030318034 /nfs/dbraw/zinc/31/80/34/1030318034.db2.gz IOGSJIFSMNFLQP-PBASOCQRSA-N 2 0 325.500 3.959 20 30 EHEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)NC1CCCCC1 ZINC000246276034 1030434108 /nfs/dbraw/zinc/43/41/08/1030434108.db2.gz WIFDRNNDLFEITC-MAUKXSAKSA-N 2 0 348.560 3.629 20 30 EHEDRP C=CCOc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683650 1030653801 /nfs/dbraw/zinc/65/38/01/1030653801.db2.gz CFICKNBULLUBBX-IBGZPJMESA-N 2 0 344.499 3.568 20 30 EHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(CC#N)cc1 ZINC000343704672 1032008498 /nfs/dbraw/zinc/00/84/98/1032008498.db2.gz FAHTVXZFHSYREG-UHFFFAOYSA-N 2 0 348.494 3.886 20 30 EHEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1 ZINC000594955699 1033596177 /nfs/dbraw/zinc/59/61/77/1033596177.db2.gz SIVGLKNXFPDDKH-JOCHJYFZSA-N 2 0 345.490 3.888 20 30 EHEDRP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595058197 1033638015 /nfs/dbraw/zinc/63/80/15/1033638015.db2.gz ZGVVYIJFPWPKQM-AVRDEDQJSA-N 2 0 333.479 3.601 20 30 EHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095922 1033703014 /nfs/dbraw/zinc/70/30/14/1033703014.db2.gz TUZGWDHEKQTFLO-QHAWAJNXSA-N 2 0 337.511 3.961 20 30 EHEDRP CC[N@H+](CCOc1ccccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029831 1033984418 /nfs/dbraw/zinc/98/44/18/1033984418.db2.gz NNYSIGIQBPMMHG-UHFFFAOYSA-N 2 0 337.467 3.521 20 30 EHEDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000595893192 1034024034 /nfs/dbraw/zinc/02/40/34/1034024034.db2.gz NDOTWNOEMGYWGC-CYBMUJFWSA-N 2 0 337.389 3.541 20 30 EHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000574005051 1037969110 /nfs/dbraw/zinc/96/91/10/1037969110.db2.gz BFPNMRODGNSMFI-REWPJTCUSA-N 2 0 345.490 3.700 20 30 EHEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595299241 1037971258 /nfs/dbraw/zinc/97/12/58/1037971258.db2.gz XTQAMZBYIVHJJM-OAQYLSRUSA-N 2 0 325.500 3.545 20 30 EHEDRP C=CCC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccco1 ZINC000552043550 1038908056 /nfs/dbraw/zinc/90/80/56/1038908056.db2.gz RQCGNPSOWZGJKF-IBGZPJMESA-N 2 0 345.531 3.827 20 30 EHEDRP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266317 1039022941 /nfs/dbraw/zinc/02/29/41/1039022941.db2.gz SFCCRWUUHWCMIJ-GCJKJVERSA-N 2 0 333.479 3.867 20 30 EHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825665 1042956714 /nfs/dbraw/zinc/95/67/14/1042956714.db2.gz SJWIGUCLWSPFNM-FPOVZHCZSA-N 2 0 349.563 3.530 20 30 EHEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236824306 1043036982 /nfs/dbraw/zinc/03/69/82/1043036982.db2.gz ZHEFPKHAJNCMKE-IBGZPJMESA-N 2 0 349.478 3.569 20 30 EHEDRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccc(C#N)c1 ZINC000130789065 1123794327 /nfs/dbraw/zinc/79/43/27/1123794327.db2.gz QAOWEQFJABKQFW-UHFFFAOYSA-N 2 0 349.478 3.665 20 30 EHEDRP N#CC1(CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCOCC1 ZINC000619620088 1125374827 /nfs/dbraw/zinc/37/48/27/1125374827.db2.gz HHVFHOAYOXDWEQ-UHFFFAOYSA-N 2 0 347.547 3.675 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183099789 1125443626 /nfs/dbraw/zinc/44/36/26/1125443626.db2.gz XLQHXDUPSSAELN-ZIFCJYIRSA-N 2 0 341.499 3.720 20 30 EHEDRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720160 1129714847 /nfs/dbraw/zinc/71/48/47/1129714847.db2.gz PCALBSOCBNYFOC-LAUBAEHRSA-N 2 0 349.478 3.567 20 30 EHEDRP N#CCC1CCC([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CC1 ZINC001173331525 1132049399 /nfs/dbraw/zinc/04/93/99/1132049399.db2.gz CKEILYLYJBJFAM-UHFFFAOYSA-N 2 0 329.463 3.634 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])cc1 ZINC001169196000 1132689043 /nfs/dbraw/zinc/68/90/43/1132689043.db2.gz XTWSETXEJCIISI-HXUWFJFHSA-N 2 0 332.451 3.807 20 30 EHEDRP CCN(Cc1csc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001179945217 1133304236 /nfs/dbraw/zinc/30/42/36/1133304236.db2.gz FJUIHOGPTHSJFE-SFHVURJKSA-N 2 0 339.508 3.964 20 30 EHEDRP C#CCN(C)CCC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001182110173 1133574025 /nfs/dbraw/zinc/57/40/25/1133574025.db2.gz YZJXQZVJHXUIEH-OAHLLOKOSA-N 2 0 326.406 3.571 20 30 EHEDRP C(=[NH+]n1cnnc1-c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000853284246 1136523419 /nfs/dbraw/zinc/52/34/19/1136523419.db2.gz VDPUKNBMOWXGBC-UHFFFAOYSA-N 2 0 345.450 3.691 20 30 EHEDRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OC ZINC000818357245 1136875721 /nfs/dbraw/zinc/87/57/21/1136875721.db2.gz XLUMIXWXHHDPTQ-TXPKVOOTSA-N 2 0 329.488 3.880 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001171193796 1137302036 /nfs/dbraw/zinc/30/20/36/1137302036.db2.gz CDMUZFONUCPFCT-QGZVFWFLSA-N 2 0 325.500 3.876 20 30 EHEDRP C[NH+]1C(C)(C)CC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1(C)C ZINC001171625593 1137501491 /nfs/dbraw/zinc/50/14/91/1137501491.db2.gz LTEBGMYRGWXHCU-UHFFFAOYSA-N 2 0 338.499 3.838 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319101 1137546815 /nfs/dbraw/zinc/54/68/15/1137546815.db2.gz KZXIUSIECAXFPK-CVDCTZTESA-N 2 0 347.506 3.943 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300088 1137549252 /nfs/dbraw/zinc/54/92/52/1137549252.db2.gz QRVFTNUDLKAZDS-ZPMCFJSWSA-N 2 0 348.494 3.656 20 30 EHEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC1CC[NH+](CCC)CC1 ZINC001649171234 1138020741 /nfs/dbraw/zinc/02/07/41/1138020741.db2.gz NVAVGBWBPVVFKA-UHFFFAOYSA-N 2 0 334.891 3.564 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176948969 1139588513 /nfs/dbraw/zinc/58/85/13/1139588513.db2.gz WKHKCFMDWXABFV-UHFFFAOYSA-N 2 0 343.496 3.630 20 30 EHEDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000181512193 1139911746 /nfs/dbraw/zinc/91/17/46/1139911746.db2.gz LYFMFIAADSUTOG-SFHVURJKSA-N 2 0 329.488 3.752 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185782021 1140169442 /nfs/dbraw/zinc/16/94/42/1140169442.db2.gz NATIYHZXXUGQLA-PKOBYXMFSA-N 2 0 329.488 3.579 20 30 EHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190771292 1140417750 /nfs/dbraw/zinc/41/77/50/1140417750.db2.gz ROQAAIIPULCYFX-KRWDZBQOSA-N 2 0 336.483 3.561 20 30 EHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000269813196 1141146746 /nfs/dbraw/zinc/14/67/46/1141146746.db2.gz NAANGGUBDOBTEQ-UHFFFAOYSA-N 2 0 329.463 3.830 20 30 EHEDRP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000398103217 1018970388 /nfs/dbraw/zinc/97/03/88/1018970388.db2.gz AUGUIIJLZVEULB-DYESRHJHSA-N 2 0 349.478 3.567 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cccc(C#N)n1 ZINC000602515177 1032925571 /nfs/dbraw/zinc/92/55/71/1032925571.db2.gz NTTXUDDZDIGXJB-QGZVFWFLSA-N 2 0 334.467 3.617 20 30 EHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602574378 1032982726 /nfs/dbraw/zinc/98/27/26/1032982726.db2.gz ZONQYPGTLCYZKA-OALUTQOASA-N 2 0 343.515 3.586 20 30 EHEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808574 1023660268 /nfs/dbraw/zinc/66/02/68/1023660268.db2.gz MXXKYVKQKDLORK-NQIIRXRSSA-N 2 0 326.484 3.700 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442707081 1025434269 /nfs/dbraw/zinc/43/42/69/1025434269.db2.gz FSAYHGNMGRORMG-OVQGTLEDSA-N 2 0 325.500 3.946 20 30 EHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000353392431 1027766507 /nfs/dbraw/zinc/76/65/07/1027766507.db2.gz ZHWRANWHJOTVAO-JOCHJYFZSA-N 2 0 331.463 3.931 20 30 EHEDRP C=CCC[C@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422991523 1028100325 /nfs/dbraw/zinc/10/03/25/1028100325.db2.gz BLDBZIWSIXRMTH-HKUYNNGSSA-N 2 0 344.499 3.605 20 30 EHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424323464 1028970519 /nfs/dbraw/zinc/97/05/19/1028970519.db2.gz JEFRZBUOYHQPPG-CDJZJNNCSA-N 2 0 337.511 3.959 20 30 EHEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000121906868 1029348144 /nfs/dbraw/zinc/34/81/44/1029348144.db2.gz FAGYHHRIKDCAIV-UHFFFAOYSA-N 2 0 329.463 3.785 20 30 EHEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977824 1032056822 /nfs/dbraw/zinc/05/68/22/1032056822.db2.gz WMZGNJRATFNDAW-XVFGAMNESA-N 2 0 341.499 3.567 20 30 EHEDRP C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1O ZINC000173429642 1033327578 /nfs/dbraw/zinc/32/75/78/1033327578.db2.gz GOTKMAUTPRNTOZ-QGZVFWFLSA-N 2 0 346.515 3.683 20 30 EHEDRP N#Cc1cccc(OCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000603848383 1033972665 /nfs/dbraw/zinc/97/26/65/1033972665.db2.gz PJQKYOZINSXFHY-UHFFFAOYSA-N 2 0 341.499 3.525 20 30 EHEDRP CC1(C)C[N@H+](CC2(C#N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593154 1034308961 /nfs/dbraw/zinc/30/89/61/1034308961.db2.gz AFSVCIBKWANVGS-HXUWFJFHSA-N 2 0 337.511 3.913 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000065976644 1035047051 /nfs/dbraw/zinc/04/70/51/1035047051.db2.gz URIOIHQKPCUOAN-UHFFFAOYSA-N 2 0 336.479 3.829 20 30 EHEDRP C=CCCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414307388 1036578089 /nfs/dbraw/zinc/57/80/89/1036578089.db2.gz PFGHNSBDAPXNQM-LJQANCHMSA-N 2 0 330.516 3.738 20 30 EHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152479824 1036874839 /nfs/dbraw/zinc/87/48/39/1036874839.db2.gz AVOYUVHPYJMSSH-CVEARBPZSA-N 2 0 334.891 3.953 20 30 EHEDRP C=CCOc1c(Cl)cc(CNCC(C)(C)C[NH+](C)C)cc1OC ZINC000623335901 1126917919 /nfs/dbraw/zinc/91/79/19/1126917919.db2.gz KRWFVHLAZRPYRS-UHFFFAOYSA-N 2 0 340.895 3.591 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000153649054 1121550864 /nfs/dbraw/zinc/55/08/64/1121550864.db2.gz BBTICEXVKDJKCI-INIZCTEOSA-N 2 0 349.409 3.874 20 30 EHEDRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013375 1121611885 /nfs/dbraw/zinc/61/18/85/1121611885.db2.gz WHOZTOIHPPCHBQ-GCJKJVERSA-N 2 0 333.479 3.867 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000237550213 1123767277 /nfs/dbraw/zinc/76/72/77/1123767277.db2.gz RKOBLVKVOBPCBU-GUDVDZBRSA-N 2 0 343.515 3.825 20 30 EHEDRP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279866 /nfs/dbraw/zinc/27/98/66/1125279866.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 2 0 346.515 3.812 20 30 EHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(C#N)c1 ZINC000092821133 1129563299 /nfs/dbraw/zinc/56/32/99/1129563299.db2.gz CSCLPBXMCIORNA-UHFFFAOYSA-N 2 0 334.467 3.692 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922846953 1129689613 /nfs/dbraw/zinc/68/96/13/1129689613.db2.gz ICSKWAGVQSPUMM-UHFFFAOYSA-N 2 0 326.484 3.585 20 30 EHEDRP C=CCOC1CCC([N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001173326556 1132048035 /nfs/dbraw/zinc/04/80/35/1132048035.db2.gz KGKFYAZFYLQARX-HWELCPFYSA-N 2 0 342.527 3.954 20 30 EHEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C#N ZINC001169153802 1132680207 /nfs/dbraw/zinc/68/02/07/1132680207.db2.gz UJXJJISQDXUXJT-QGGRXXHISA-N 2 0 341.503 3.735 20 30 EHEDRP CC(C)C[N@H+](CCCOc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC001175600852 1132708091 /nfs/dbraw/zinc/70/80/91/1132708091.db2.gz CRMMMGLLJHKMQE-UHFFFAOYSA-N 2 0 343.515 3.627 20 30 EHEDRP C=C(C)CN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001194051822 1135221071 /nfs/dbraw/zinc/22/10/71/1135221071.db2.gz JRAGOKVLHGNAEJ-JOCHJYFZSA-N 2 0 338.495 3.558 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171179284 1137290823 /nfs/dbraw/zinc/29/08/23/1137290823.db2.gz QNAKTFIZXOLKOH-XXBNENTESA-N 2 0 347.506 3.991 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198598 1137309805 /nfs/dbraw/zinc/30/98/05/1137309805.db2.gz NLWYHZXKVQBEEE-XJABCFGWSA-N 2 0 348.494 3.656 20 30 EHEDRP C=CCN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866260068 1137340094 /nfs/dbraw/zinc/34/00/94/1137340094.db2.gz BANRUAQOBOIDPU-JOCHJYFZSA-N 2 0 335.495 3.996 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCN(CC2CCCCC2)C1 ZINC001172298905 1137549172 /nfs/dbraw/zinc/54/91/72/1137549172.db2.gz IEZHEOLZBREYAX-UWJYYQICSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300086 1137549281 /nfs/dbraw/zinc/54/92/81/1137549281.db2.gz QRVFTNUDLKAZDS-HSQYWUDLSA-N 2 0 348.494 3.656 20 30 EHEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000876708706 1137659505 /nfs/dbraw/zinc/65/95/05/1137659505.db2.gz YSLIZBQIWSBBJW-QGZVFWFLSA-N 2 0 349.906 3.860 20 30 EHEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000879249537 1137742537 /nfs/dbraw/zinc/74/25/37/1137742537.db2.gz TUMOJPYRYAGHCW-UHFFFAOYSA-N 2 0 325.500 3.796 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000176948989 1139589030 /nfs/dbraw/zinc/58/90/30/1139589030.db2.gz CAVYKQSNBZKFOZ-UHFFFAOYSA-N 2 0 343.496 3.630 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185781925 1140169359 /nfs/dbraw/zinc/16/93/59/1140169359.db2.gz UAKPLVYKFXQPSA-RBUKOAKNSA-N 2 0 329.488 3.579 20 30 EHEDRP COc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311869608 1017044826 /nfs/dbraw/zinc/04/48/26/1017044826.db2.gz YXQCRPSZVHSLAY-QFIPXVFZSA-N 2 0 349.478 3.569 20 30 EHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000602022941 1032593563 /nfs/dbraw/zinc/59/35/63/1032593563.db2.gz ULFIYSIBWMPNDZ-JOCHJYFZSA-N 2 0 331.463 3.761 20 30 EHEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000610271187 1017120753 /nfs/dbraw/zinc/12/07/53/1017120753.db2.gz HPYGQJTULRZXMV-UTKZUKDTSA-N 2 0 349.478 3.710 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000728712076 1018361616 /nfs/dbraw/zinc/36/16/16/1018361616.db2.gz XWGYJRHGIVTSFA-MSOLQXFVSA-N 2 0 329.488 3.722 20 30 EHEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000377886203 1018514938 /nfs/dbraw/zinc/51/49/38/1018514938.db2.gz ZCOWAVXMNXNYRO-HXUWFJFHSA-N 2 0 341.499 3.533 20 30 EHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602514894 1032927322 /nfs/dbraw/zinc/92/73/22/1032927322.db2.gz VTYBJUZHQDMBRO-SFHVURJKSA-N 2 0 343.515 3.717 20 30 EHEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185321 1021115001 /nfs/dbraw/zinc/11/50/01/1021115001.db2.gz FAAHASNRUWTPKE-OAQYLSRUSA-N 2 0 341.543 3.670 20 30 EHEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375767847 1033147345 /nfs/dbraw/zinc/14/73/45/1033147345.db2.gz JVJUEEBSZLVVAQ-NRFANRHFSA-N 2 0 325.500 3.914 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1C#N ZINC000610992026 1023975159 /nfs/dbraw/zinc/97/51/59/1023975159.db2.gz PLKGKEJWVXUYGI-UHFFFAOYSA-N 2 0 341.499 3.655 20 30 EHEDRP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc(C#N)cc1 ZINC000346129078 1024430723 /nfs/dbraw/zinc/43/07/23/1024430723.db2.gz FVMALRSAIHSMCU-UHFFFAOYSA-N 2 0 345.450 3.860 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442719541 1025453123 /nfs/dbraw/zinc/45/31/23/1025453123.db2.gz QFUOAGCVYNFCKI-NYUBLWNDSA-N 2 0 325.500 3.946 20 30 EHEDRP COc1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1C#N ZINC000442884771 1025564711 /nfs/dbraw/zinc/56/47/11/1025564711.db2.gz KWQMEVUCHVUEFJ-IBGZPJMESA-N 2 0 341.499 3.655 20 30 EHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422987261 1028111655 /nfs/dbraw/zinc/11/16/55/1028111655.db2.gz IBZQCWCYHJVXSO-XUVXKRRUSA-N 2 0 343.540 3.692 20 30 EHEDRP C=CCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423151050 1028213676 /nfs/dbraw/zinc/21/36/76/1028213676.db2.gz CLTWHHRJOULHFS-WIYYLYMNSA-N 2 0 326.484 3.968 20 30 EHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000424297028 1028939339 /nfs/dbraw/zinc/93/93/39/1028939339.db2.gz PPFNDNYAHXIYKP-CUUWFGFTSA-N 2 0 340.511 3.610 20 30 EHEDRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000447546458 1030279760 /nfs/dbraw/zinc/27/97/60/1030279760.db2.gz WBHVCCJROIOZLH-NRFANRHFSA-N 2 0 337.467 3.740 20 30 EHEDRP CCc1cccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000170908934 1033827569 /nfs/dbraw/zinc/82/75/69/1033827569.db2.gz JUEACXYFKQDZSP-UHFFFAOYSA-N 2 0 336.483 3.772 20 30 EHEDRP CC1(C)C[N@H+](CC2(C#N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593146 1034309615 /nfs/dbraw/zinc/30/96/15/1034309615.db2.gz AFSVCIBKWANVGS-FQEVSTJZSA-N 2 0 337.511 3.913 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000061743902 1034475063 /nfs/dbraw/zinc/47/50/63/1034475063.db2.gz NFWPZMKVNYGUFB-UHFFFAOYSA-N 2 0 336.479 3.830 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000613256193 1035478252 /nfs/dbraw/zinc/47/82/52/1035478252.db2.gz QREOVRHFPRPMMG-LLVBAIKDSA-N 2 0 337.511 3.959 20 30 EHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)ccc1F ZINC000271425872 1035893353 /nfs/dbraw/zinc/89/33/53/1035893353.db2.gz BENWBYKTIRFCAE-HRAATJIYSA-N 2 0 337.442 3.698 20 30 EHEDRP N#Cc1ccc(F)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121824383 1036346758 /nfs/dbraw/zinc/34/67/58/1036346758.db2.gz TUZKOVYRYCDXAV-UHFFFAOYSA-N 2 0 329.463 3.785 20 30 EHEDRP C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000399040466 1036606584 /nfs/dbraw/zinc/60/65/84/1036606584.db2.gz RAZGVGIDMYSEER-QFIPXVFZSA-N 2 0 333.479 3.707 20 30 EHEDRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266320 1039023494 /nfs/dbraw/zinc/02/34/94/1039023494.db2.gz SFCCRWUUHWCMIJ-XMSQKQJNSA-N 2 0 333.479 3.867 20 30 EHEDRP C=CCOc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000552356308 1039206345 /nfs/dbraw/zinc/20/63/45/1039206345.db2.gz MLHZCYVBJFEDJU-IBGZPJMESA-N 2 0 334.891 3.823 20 30 EHEDRP C[C@@H]1C[C@H](NCc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000921816798 1128783874 /nfs/dbraw/zinc/78/38/74/1128783874.db2.gz KCNITBLHPVGTKT-CRAIPNDOSA-N 2 0 325.481 3.762 20 30 EHEDRP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982209 /nfs/dbraw/zinc/98/22/09/1128982209.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 2 0 331.463 3.512 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248862249 1124709589 /nfs/dbraw/zinc/70/95/89/1124709589.db2.gz PVHGEPLDNOCXLW-GBMAXXPESA-N 2 0 325.500 3.815 20 30 EHEDRP C=CC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093359257 1125233748 /nfs/dbraw/zinc/23/37/48/1125233748.db2.gz QBQAKFYSLRYJNC-UHFFFAOYSA-N 2 0 327.516 3.615 20 30 EHEDRP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720154 1129714753 /nfs/dbraw/zinc/71/47/53/1129714753.db2.gz PCALBSOCBNYFOC-DYESRHJHSA-N 2 0 349.478 3.567 20 30 EHEDRP C[C@@H](CCCC#N)n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001172484776 1131740400 /nfs/dbraw/zinc/74/04/00/1131740400.db2.gz IKBLMOITRHOJAJ-KRWDZBQOSA-N 2 0 338.499 3.862 20 30 EHEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CC1 ZINC001173318928 1132060772 /nfs/dbraw/zinc/06/07/72/1132060772.db2.gz QMMOUKKWDHGQHF-UHFFFAOYSA-N 2 0 346.490 3.675 20 30 EHEDRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349962 1132646218 /nfs/dbraw/zinc/64/62/18/1132646218.db2.gz GUNZFWAZGSZSOU-HXUWFJFHSA-N 2 0 347.547 3.673 20 30 EHEDRP C[N@H+](C1CC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170396314 1134764112 /nfs/dbraw/zinc/76/41/12/1134764112.db2.gz XMCNVETXLCDIAK-UHFFFAOYSA-N 2 0 337.511 3.949 20 30 EHEDRP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170372026 1134765430 /nfs/dbraw/zinc/76/54/30/1134765430.db2.gz SSJJEBFUENOSTB-NEBFTCOFSA-N 2 0 325.500 3.853 20 30 EHEDRP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196937395 1135631395 /nfs/dbraw/zinc/63/13/95/1135631395.db2.gz YSSNAHSNJYZOKS-NRFANRHFSA-N 2 0 325.500 3.953 20 30 EHEDRP C#CCCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738622 1135882701 /nfs/dbraw/zinc/88/27/01/1135882701.db2.gz BZTARYXMELMTHD-UHFFFAOYSA-N 2 0 336.479 3.782 20 30 EHEDRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000105446121 1135947989 /nfs/dbraw/zinc/94/79/89/1135947989.db2.gz GFSSHIUPDLPZIX-UHFFFAOYSA-N 2 0 329.488 3.581 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001171221121 1137346907 /nfs/dbraw/zinc/34/69/07/1137346907.db2.gz IJCOSICWOWWARK-WIYYLYMNSA-N 2 0 325.500 3.830 20 30 EHEDRP C#CCCCCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000876782224 1137661208 /nfs/dbraw/zinc/66/12/08/1137661208.db2.gz UZONFLGZJZUHFW-UHFFFAOYSA-N 2 0 347.591 3.698 20 30 EHEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000877684331 1137685720 /nfs/dbraw/zinc/68/57/20/1137685720.db2.gz MJASNDKWPUCSEU-UHFFFAOYSA-N 2 0 341.499 3.677 20 30 EHEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000104155688 1139196604 /nfs/dbraw/zinc/19/66/04/1139196604.db2.gz ACSJBQWILHFRSH-KRWDZBQOSA-N 2 0 342.512 3.874 20 30 EHEDRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172836 1032267303 /nfs/dbraw/zinc/26/73/03/1032267303.db2.gz MNCFVDJCKPNMAX-RCKXYERXSA-N 2 0 325.500 3.959 20 30 EHEDRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000593324437 1032900197 /nfs/dbraw/zinc/90/01/97/1032900197.db2.gz WIVADZAMXUKDKV-UHFFFAOYSA-N 2 0 333.479 3.900 20 30 EHEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000602606739 1033024639 /nfs/dbraw/zinc/02/46/39/1033024639.db2.gz GLHQOEOPPNCELW-AYWYSENESA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@@H](CCC#N)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000602668963 1033067226 /nfs/dbraw/zinc/06/72/26/1033067226.db2.gz GVVUIVOCARBYEZ-IBGZPJMESA-N 2 0 325.500 3.914 20 30 EHEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810024 1023651184 /nfs/dbraw/zinc/65/11/84/1023651184.db2.gz WGXGKHIZKAOEAR-GHTZIAJQSA-N 2 0 326.484 3.700 20 30 EHEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000435730559 1025098625 /nfs/dbraw/zinc/09/86/25/1025098625.db2.gz FMZSBDPBOOZTKF-WOJBJXKFSA-N 2 0 330.516 3.715 20 30 EHEDRP N#CCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422994255 1028100831 /nfs/dbraw/zinc/10/08/31/1028100831.db2.gz HFDSVWUDQICEDV-JAXLGGSGSA-N 2 0 347.462 3.877 20 30 EHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422987258 1028111786 /nfs/dbraw/zinc/11/17/86/1028111786.db2.gz IBZQCWCYHJVXSO-HSALFYBXSA-N 2 0 343.540 3.692 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000135184657 1028171612 /nfs/dbraw/zinc/17/16/12/1028171612.db2.gz TURZRPNUOWEXOU-UHFFFAOYSA-N 2 0 325.500 3.796 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCN2C2CCCC2)CC1 ZINC000528015024 1031632939 /nfs/dbraw/zinc/63/29/39/1031632939.db2.gz WQBTUAFSBSGYCD-IRQNMHNUSA-N 2 0 337.511 3.997 20 30 EHEDRP N#CC1(c2ccc(C[NH2+]CCCCC[NH+]3CCCCC3)cc2)CC1 ZINC000594924321 1033546396 /nfs/dbraw/zinc/54/63/96/1033546396.db2.gz LHZUZOBGANOVHK-UHFFFAOYSA-N 2 0 325.500 3.988 20 30 EHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925551 1033546431 /nfs/dbraw/zinc/54/64/31/1033546431.db2.gz NUUOXOYOEDIIPN-SFHVURJKSA-N 2 0 325.500 3.986 20 30 EHEDRP C=CCCSCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000594959693 1033598890 /nfs/dbraw/zinc/59/88/90/1033598890.db2.gz ABTMEWODXDMMKL-UHFFFAOYSA-N 2 0 347.572 3.616 20 30 EHEDRP CC[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029800 1033983867 /nfs/dbraw/zinc/98/38/67/1033983867.db2.gz BLXYYFWYUSCACI-UHFFFAOYSA-N 2 0 337.467 3.521 20 30 EHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000595909251 1034027092 /nfs/dbraw/zinc/02/70/92/1034027092.db2.gz KWJUQWIKQFIDRK-CXAGYDPISA-N 2 0 339.405 3.916 20 30 EHEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000609157100 1035540934 /nfs/dbraw/zinc/54/09/34/1035540934.db2.gz RULZTRWKKASFHF-UHFFFAOYSA-N 2 0 333.479 3.999 20 30 EHEDRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000443966418 1036058531 /nfs/dbraw/zinc/05/85/31/1036058531.db2.gz BMMLKFCEILOBHO-UHFFFAOYSA-N 2 0 339.508 3.930 20 30 EHEDRP N#CC1CCC([NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517960 1039185942 /nfs/dbraw/zinc/18/59/42/1039185942.db2.gz DXICJDKOSBEXNY-DYSAJFINSA-N 2 0 337.511 3.959 20 30 EHEDRP C=CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676321 1042824663 /nfs/dbraw/zinc/82/46/63/1042824663.db2.gz VAQIKKLZMAHSMH-DYESRHJHSA-N 2 0 341.499 3.555 20 30 EHEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000662675682 1042825240 /nfs/dbraw/zinc/82/52/40/1042825240.db2.gz PRWYKXVXKFSKLA-UWJYYQICSA-N 2 0 341.499 3.698 20 30 EHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825667 1042956131 /nfs/dbraw/zinc/95/61/31/1042956131.db2.gz SJWIGUCLWSPFNM-TZIWHRDSSA-N 2 0 349.563 3.530 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001167838175 1043047311 /nfs/dbraw/zinc/04/73/11/1043047311.db2.gz RFWITZHAAGMPHO-GHTZIAJQSA-N 2 0 343.515 3.912 20 30 EHEDRP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309362 1131334090 /nfs/dbraw/zinc/33/40/90/1131334090.db2.gz LMUYMRCYTKPOHE-UHFFFAOYSA-N 2 0 349.906 3.796 20 30 EHEDRP C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806670 1125208020 /nfs/dbraw/zinc/20/80/20/1125208020.db2.gz RDFUIRWHHKKTFH-ZHRRBRCNSA-N 2 0 349.478 3.837 20 30 EHEDRP COc1cccc(C[N@H+]([C@@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172494009 1131757606 /nfs/dbraw/zinc/75/76/06/1131757606.db2.gz XGHBGNOMQSWMBL-WDSOQIARSA-N 2 0 329.488 3.849 20 30 EHEDRP COc1ccccc1CC1([NH3+])CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173333209 1132050513 /nfs/dbraw/zinc/05/05/13/1132050513.db2.gz JOABYISNGQKNNO-UHFFFAOYSA-N 2 0 341.499 3.503 20 30 EHEDRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4CCC(CC#N)CC4)C[C@@H]3C2)cc1 ZINC001173336419 1132052808 /nfs/dbraw/zinc/05/28/08/1132052808.db2.gz YKJFLSAMMRQQMZ-IITXJAJYSA-N 2 0 337.511 3.831 20 30 EHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000768927831 1133205133 /nfs/dbraw/zinc/20/51/33/1133205133.db2.gz XLFNPOZXSDXLTB-KRWDZBQOSA-N 2 0 329.488 3.530 20 30 EHEDRP C=CCC[C@H](CC)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001183533962 1133825836 /nfs/dbraw/zinc/82/58/36/1133825836.db2.gz OIJUHFXURYGVSC-FQEVSTJZSA-N 2 0 330.516 3.738 20 30 EHEDRP CN(C)c1cc[nH+]cc1C=[NH+][N-]c1ccnc2cc(Cl)ccc12 ZINC000776184259 1136017200 /nfs/dbraw/zinc/01/72/00/1136017200.db2.gz ZWKVJFYRYFMNHI-UHFFFAOYSA-N 2 0 325.803 3.795 20 30 EHEDRP SC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076256 1137530291 /nfs/dbraw/zinc/53/02/91/1137530291.db2.gz XGXUHTUFCZYSLJ-REPLKXPHSA-N 2 0 330.541 3.966 20 30 EHEDRP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1C#N ZINC000191022749 1140431002 /nfs/dbraw/zinc/43/10/02/1140431002.db2.gz IWHOQEXPFSWNIC-UHFFFAOYSA-N 2 0 336.483 3.563 20 30 EHEDRP COCCN(C)CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449128422 1032220325 /nfs/dbraw/zinc/22/03/25/1032220325.db2.gz SFKNUPIZFZVESX-NYLDSWQDSA-N 2 0 343.515 3.758 20 30 EHEDRP C[C@H]1C[C@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000513507144 1019751192 /nfs/dbraw/zinc/75/11/92/1019751192.db2.gz TUPQQVWOJVHUDH-AVRDEDQJSA-N 2 0 333.479 3.949 20 30 EHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602514892 1032928922 /nfs/dbraw/zinc/92/89/22/1032928922.db2.gz VTYBJUZHQDMBRO-GOSISDBHSA-N 2 0 343.515 3.717 20 30 EHEDRP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544249 1032953310 /nfs/dbraw/zinc/95/33/10/1032953310.db2.gz GQODPIHHVZCBIZ-QZTJIDSGSA-N 2 0 335.536 3.576 20 30 EHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602545932 1032956349 /nfs/dbraw/zinc/95/63/49/1032956349.db2.gz RTJRIBNDPKRWFX-IAGOWNOFSA-N 2 0 346.494 3.558 20 30 EHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000602552119 1032967478 /nfs/dbraw/zinc/96/74/78/1032967478.db2.gz SQVRSFJCFXKYMU-QGZVFWFLSA-N 2 0 325.456 3.941 20 30 EHEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000398984892 1024745476 /nfs/dbraw/zinc/74/54/76/1024745476.db2.gz GMEYDMVDMWDAFX-DNVJHFABSA-N 2 0 345.490 3.753 20 30 EHEDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000423482045 1028471512 /nfs/dbraw/zinc/47/15/12/1028471512.db2.gz XOERGHHMPPWCQW-MFMILTCTSA-N 2 0 337.442 3.741 20 30 EHEDRP C=CCCCC[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423528978 1028485796 /nfs/dbraw/zinc/48/57/96/1028485796.db2.gz PKSMFEZWKRGNKM-IBGZPJMESA-N 2 0 329.532 3.704 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC1CC1 ZINC000537849778 1031964540 /nfs/dbraw/zinc/96/45/40/1031964540.db2.gz RPFGENUPEITGCH-UHFFFAOYSA-N 2 0 325.500 3.892 20 30 EHEDRP C=CCCSCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000595057141 1033635144 /nfs/dbraw/zinc/63/51/44/1033635144.db2.gz ARIUKIHZEPUDSN-SFHVURJKSA-N 2 0 332.557 3.981 20 30 EHEDRP C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000595089953 1033698316 /nfs/dbraw/zinc/69/83/16/1033698316.db2.gz ARDGHNVYSWWBQQ-QGZVFWFLSA-N 2 0 329.488 3.752 20 30 EHEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000170908951 1033828311 /nfs/dbraw/zinc/82/83/11/1033828311.db2.gz WRBDBLQVCDWVDP-UHFFFAOYSA-N 2 0 348.494 3.698 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000171562877 1034463155 /nfs/dbraw/zinc/46/31/55/1034463155.db2.gz VMDUMZFQRKQRSS-SFHVURJKSA-N 2 0 349.478 3.863 20 30 EHEDRP C[C@H](CCC#N)C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520458 1039193255 /nfs/dbraw/zinc/19/32/55/1039193255.db2.gz ZDDQCUOAILMSCR-PBASOCQRSA-N 2 0 325.500 3.817 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000236926098 1040193843 /nfs/dbraw/zinc/19/38/43/1040193843.db2.gz FLEDCRKFXFSTPZ-UHFFFAOYSA-N 2 0 336.479 3.830 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642391 1040382516 /nfs/dbraw/zinc/38/25/16/1040382516.db2.gz PEQZBZWGCAXEIH-XPWALMASSA-N 2 0 345.490 3.949 20 30 EHEDRP C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131206272 1126968205 /nfs/dbraw/zinc/96/82/05/1126968205.db2.gz SMTXRTGBYMGAER-UHFFFAOYSA-N 2 0 349.478 3.665 20 30 EHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000404073382 1128676106 /nfs/dbraw/zinc/67/61/06/1128676106.db2.gz PTUUNSTYLLBRCQ-UHFFFAOYSA-N 2 0 337.442 3.699 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063319558 1128869975 /nfs/dbraw/zinc/86/99/75/1128869975.db2.gz JMLZBBJJXCQKIA-UHFFFAOYSA-N 2 0 349.478 3.569 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000915271143 1121291990 /nfs/dbraw/zinc/29/19/90/1121291990.db2.gz LJAKIMZAWUKYMT-NXLNCYEBSA-N 2 0 331.504 3.920 20 30 EHEDRP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(C#N)c1 ZINC000272325353 1121520811 /nfs/dbraw/zinc/52/08/11/1121520811.db2.gz WUWKLOFIXZZUOZ-INIZCTEOSA-N 2 0 349.482 3.657 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2ccccc2)N(C)C)c(O)c1 ZINC000920942396 1123441307 /nfs/dbraw/zinc/44/13/07/1123441307.db2.gz AQRUEBPVQXETOQ-AHFVYKFHSA-N 2 0 339.483 3.960 20 30 EHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000922242030 1129390138 /nfs/dbraw/zinc/39/01/38/1129390138.db2.gz AFXQHKKENWVEBY-UHFFFAOYSA-N 2 0 348.494 3.572 20 30 EHEDRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000245971028 1130335355 /nfs/dbraw/zinc/33/53/55/1130335355.db2.gz ZQTRUBKJXLPLMV-QZTJIDSGSA-N 2 0 349.478 3.630 20 30 EHEDRP CCCCCCCC[C@@H](CC)[NH2+]CCCOCCOCCC[NH3+] ZINC001172501284 1131761006 /nfs/dbraw/zinc/76/10/06/1131761006.db2.gz AYZHSGURJLOWTP-LJQANCHMSA-N 2 0 330.557 3.877 20 30 EHEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001173310786 1132037614 /nfs/dbraw/zinc/03/76/14/1132037614.db2.gz ZBLTVPSVPABSPD-ROUUACIJSA-N 2 0 327.557 3.739 20 30 EHEDRP CC1(C#N)CCC([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591070 1132097088 /nfs/dbraw/zinc/09/70/88/1132097088.db2.gz ITIXUQIMJAWAEV-CAAWEGIDSA-N 2 0 326.488 3.626 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601428 1132101834 /nfs/dbraw/zinc/10/18/34/1132101834.db2.gz SYJNKYSXGUYCJC-PHZLKFDYSA-N 2 0 337.511 3.913 20 30 EHEDRP CCCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201762856 1136060956 /nfs/dbraw/zinc/06/09/56/1136060956.db2.gz XTQGNWYKPKBMEV-GOSISDBHSA-N 2 0 338.536 3.696 20 30 EHEDRP CN(C)c1ccc(N2CCC([NH2+]CC3(C#N)CCCCC3)CC2)cc1 ZINC000850391532 1136247613 /nfs/dbraw/zinc/24/76/13/1136247613.db2.gz SZQPWMHHGVYVDF-UHFFFAOYSA-N 2 0 340.515 3.785 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001171228957 1137353578 /nfs/dbraw/zinc/35/35/78/1137353578.db2.gz JYSSQONMTHIZHE-JRGCBEDISA-N 2 0 325.500 3.828 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172311843 1137546338 /nfs/dbraw/zinc/54/63/38/1137546338.db2.gz ZHBQCRZXQJKVFC-DZFGPLHGSA-N 2 0 325.500 3.828 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172318937 1137546770 /nfs/dbraw/zinc/54/67/70/1137546770.db2.gz JNRJKMRBZAUDJJ-SXSPYAJSSA-N 2 0 345.490 3.553 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172290515 1137548031 /nfs/dbraw/zinc/54/80/31/1137548031.db2.gz QTKWOYDHWJQPCM-LJQANCHMSA-N 2 0 347.506 3.991 20 30 EHEDRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000067120628 1138079720 /nfs/dbraw/zinc/07/97/20/1138079720.db2.gz ACAVMDDZJFDVMW-UHFFFAOYSA-N 2 0 342.531 3.638 20 30 EHEDRP Cc1ccccc1C[NH+]1CCC(NCc2ccc(C#N)s2)CC1 ZINC000176949471 1139588834 /nfs/dbraw/zinc/58/88/34/1139588834.db2.gz LIYWGUGOEBTWSM-UHFFFAOYSA-N 2 0 325.481 3.682 20 30 EHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181681985 1139924068 /nfs/dbraw/zinc/92/40/68/1139924068.db2.gz UEZPAELBUACGMK-RXVVDRJESA-N 2 0 333.479 3.773 20 30 EHEDRP C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697163 1140164268 /nfs/dbraw/zinc/16/42/68/1140164268.db2.gz RXNQFNIAODAGLW-MJGOQNOKSA-N 2 0 341.499 3.570 20 30 EHEDRP C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266607589 1140707617 /nfs/dbraw/zinc/70/76/17/1140707617.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 2 0 349.478 3.543 20 30 EHEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065757 1141303845 /nfs/dbraw/zinc/30/38/45/1141303845.db2.gz JCOFRNGHZROXTF-OMYXNUHHSA-N 2 0 325.500 3.853 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000728712098 1018360643 /nfs/dbraw/zinc/36/06/43/1018360643.db2.gz ZONILXIRRIOJBC-ZWKOTPCHSA-N 2 0 329.488 3.579 20 30 EHEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483892 1032914213 /nfs/dbraw/zinc/91/42/13/1032914213.db2.gz JUCDDDSJBBZXEH-GIVPXCGWSA-N 2 0 325.500 3.913 20 30 EHEDRP CC(C)C[N@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000593644305 1032994510 /nfs/dbraw/zinc/99/45/10/1032994510.db2.gz AMHONGNIDGKXIK-UHFFFAOYSA-N 2 0 327.516 3.958 20 30 EHEDRP N#Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccc1F ZINC000121760781 1033062613 /nfs/dbraw/zinc/06/26/13/1033062613.db2.gz PHPOWPNRKDBHPO-UHFFFAOYSA-N 2 0 329.463 3.785 20 30 EHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665230436 1024681752 /nfs/dbraw/zinc/68/17/52/1024681752.db2.gz OTMISLVKJMWFGL-LYSIVYOWSA-N 2 0 326.484 3.967 20 30 EHEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000262256025 1025156441 /nfs/dbraw/zinc/15/64/41/1025156441.db2.gz JAPXUZRMFIDYMN-QGZVFWFLSA-N 2 0 342.512 3.929 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442719540 1025453889 /nfs/dbraw/zinc/45/38/89/1025453889.db2.gz QFUOAGCVYNFCKI-IIMDRIAPSA-N 2 0 325.500 3.946 20 30 EHEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000262491019 1026614566 /nfs/dbraw/zinc/61/45/66/1026614566.db2.gz UWLLWFBZGFBEOT-MNNVXMFVSA-N 2 0 328.504 3.944 20 30 EHEDRP C=CCn1c(C)cc(C(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000531255117 1026739198 /nfs/dbraw/zinc/73/91/98/1026739198.db2.gz PHFXEKIMCCAXDG-UHFFFAOYSA-N 2 0 345.531 3.526 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000078878046 1028283577 /nfs/dbraw/zinc/28/35/77/1028283577.db2.gz BPJTYVOYCZXCTF-GOSISDBHSA-N 2 0 349.478 3.884 20 30 EHEDRP N#CC1(c2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594940469 1033588405 /nfs/dbraw/zinc/58/84/05/1033588405.db2.gz YZEKIEFAXOSIGC-NRFANRHFSA-N 2 0 345.490 3.853 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095921 1033702532 /nfs/dbraw/zinc/70/25/32/1033702532.db2.gz TUZGWDHEKQTFLO-NJYVYQBISA-N 2 0 337.511 3.961 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000120846706 1034183049 /nfs/dbraw/zinc/18/30/49/1034183049.db2.gz QAVPNKBJYPKYND-HXUWFJFHSA-N 2 0 343.515 3.827 20 30 EHEDRP C=CCc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1O ZINC000534347815 1034422091 /nfs/dbraw/zinc/42/20/91/1034422091.db2.gz QEDMPQYTYLHVHH-UHFFFAOYSA-N 2 0 346.515 3.682 20 30 EHEDRP N#Cc1c(F)cccc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000602009850 1034857823 /nfs/dbraw/zinc/85/78/23/1034857823.db2.gz XZPJTPCPLSXESM-UHFFFAOYSA-N 2 0 343.471 3.761 20 30 EHEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000386485883 1035748771 /nfs/dbraw/zinc/74/87/71/1035748771.db2.gz WUZHQXPCJMXXTJ-JOCHJYFZSA-N 2 0 333.479 3.950 20 30 EHEDRP C[C@@H](CC[NH+]1CCC[C@](C)(C#N)C1)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000591026523 1037207418 /nfs/dbraw/zinc/20/74/18/1037207418.db2.gz JKXHYCOPCBDYFF-ACDBMABISA-N 2 0 330.520 3.654 20 30 EHEDRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271919664 1037772392 /nfs/dbraw/zinc/77/23/92/1037772392.db2.gz DLOGXGFEZQBLCC-OAHLLOKOSA-N 2 0 338.430 3.660 20 30 EHEDRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271919663 1037780077 /nfs/dbraw/zinc/78/00/77/1037780077.db2.gz DLOGXGFEZQBLCC-HNNXBMFYSA-N 2 0 338.430 3.660 20 30 EHEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]1 ZINC000662698899 1042834686 /nfs/dbraw/zinc/83/46/86/1042834686.db2.gz SWFZNBQPYUQNGW-NRFANRHFSA-N 2 0 341.499 3.699 20 30 EHEDRP N#Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309667504 1128911765 /nfs/dbraw/zinc/91/17/65/1128911765.db2.gz QLWDGQHIXHJWRS-KRWDZBQOSA-N 2 0 325.481 3.622 20 30 EHEDRP C[C@@H](NCc1ccc(C#N)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789434 1128914699 /nfs/dbraw/zinc/91/46/99/1128914699.db2.gz OGRJWTNTVDLIEM-WBVHZDCISA-N 2 0 325.481 3.620 20 30 EHEDRP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231032 1121102427 /nfs/dbraw/zinc/10/24/27/1121102427.db2.gz UQBUMHWOEFXPTH-XLIONFOSSA-N 2 0 349.478 3.567 20 30 EHEDRP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000272281161 1121509929 /nfs/dbraw/zinc/50/99/29/1121509929.db2.gz OTBJGVCVBNIALE-KRWDZBQOSA-N 2 0 349.478 3.839 20 30 EHEDRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013378 1121611696 /nfs/dbraw/zinc/61/16/96/1121611696.db2.gz WHOZTOIHPPCHBQ-PGRDOPGGSA-N 2 0 333.479 3.867 20 30 EHEDRP COc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccc1C#N ZINC000619674215 1125380448 /nfs/dbraw/zinc/38/04/48/1125380448.db2.gz WBNGIYVWRVCKKQ-UHFFFAOYSA-N 2 0 341.499 3.655 20 30 EHEDRP CC[NH+](CC)C1CCC([NH2+]CCCOc2ccccc2C#N)CC1 ZINC001173106716 1131968185 /nfs/dbraw/zinc/96/81/85/1131968185.db2.gz CBQHQPZCEUHAFX-UHFFFAOYSA-N 2 0 329.488 3.570 20 30 EHEDRP N#CCC1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336906 1132053433 /nfs/dbraw/zinc/05/34/33/1132053433.db2.gz QUMHNKCRFFYLFE-MOBXORJESA-N 2 0 337.511 3.913 20 30 EHEDRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C1CCC(C)(C#N)CC1)[C@@H]2C ZINC001173595287 1132099111 /nfs/dbraw/zinc/09/91/11/1132099111.db2.gz WHWSESXSCHALCZ-ZRZPHAQCSA-N 2 0 343.519 3.572 20 30 EHEDRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349960 1132645506 /nfs/dbraw/zinc/64/55/06/1132645506.db2.gz GUNZFWAZGSZSOU-FQEVSTJZSA-N 2 0 347.547 3.673 20 30 EHEDRP [NH2+]=C(Nc1cc[nH+]c(N2CCCCC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171185485 1137295568 /nfs/dbraw/zinc/29/55/68/1137295568.db2.gz YFQBLXAYKDFMRO-UHFFFAOYSA-N 2 0 346.434 3.968 20 30 EHEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000865716628 1137306317 /nfs/dbraw/zinc/30/63/17/1137306317.db2.gz CBTVIDGISQXRDG-KRWDZBQOSA-N 2 0 329.488 3.578 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001171221543 1137345856 /nfs/dbraw/zinc/34/58/56/1137345856.db2.gz OUYOFYNNHDWTDE-KRWDZBQOSA-N 2 0 325.500 3.543 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001171222120 1137348165 /nfs/dbraw/zinc/34/81/65/1137348165.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 2 0 345.490 3.553 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222347 1137348812 /nfs/dbraw/zinc/34/88/12/1137348812.db2.gz GBIMPJKYVJLKKQ-CVDCTZTESA-N 2 0 347.506 3.943 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1 ZINC001171398361 1137471168 /nfs/dbraw/zinc/47/11/68/1137471168.db2.gz TZTYCVBCWWSOAU-VQTJNVASSA-N 2 0 349.478 3.867 20 30 EHEDRP CCCCCCC[C@H](CC)[NH+]1CCC([NH3+])(CC(=O)OCC)CC1 ZINC001172358381 1137554604 /nfs/dbraw/zinc/55/46/04/1137554604.db2.gz OLKCSXAXOSFXFE-KRWDZBQOSA-N 2 0 326.525 3.872 20 30 EHEDRP C[NH+](CCCCCC[N@@H+](C)[C@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311976 1137744009 /nfs/dbraw/zinc/74/40/09/1137744009.db2.gz ZOPIHRCNCDTRLK-FGYAAKKASA-N 2 0 330.520 3.795 20 30 EHEDRP C[NH+](CCCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000118401362 1137933584 /nfs/dbraw/zinc/93/35/84/1137933584.db2.gz HFFBNZMIMJCRND-UHFFFAOYSA-N 2 0 346.478 3.774 20 30 EHEDRP C[NH+](CC1(CC#N)CC1)[C@H]1CC[C@H]([N@H+](C)CC2(CC#N)CC2)CC1 ZINC000886389701 1138073176 /nfs/dbraw/zinc/07/31/76/1138073176.db2.gz UODKTIRDKONGGV-IYARVYRRSA-N 2 0 328.504 3.549 20 30 EHEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1C ZINC000104155679 1139196564 /nfs/dbraw/zinc/19/65/64/1139196564.db2.gz IBMSWVPIUQDYHI-KRWDZBQOSA-N 2 0 342.512 3.929 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449302058 1032421648 /nfs/dbraw/zinc/42/16/48/1032421648.db2.gz UDOXOXYPTOCKNK-UZKOGDIHSA-N 2 0 342.527 3.653 20 30 EHEDRP CC[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC1 ZINC000507639555 1021405594 /nfs/dbraw/zinc/40/55/94/1021405594.db2.gz XGRZPWDZNISZHQ-KBWCOIMZSA-N 2 0 325.500 3.855 20 30 EHEDRP C[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434532 1021435143 /nfs/dbraw/zinc/43/51/43/1021435143.db2.gz BVRBVRPPMFZGRJ-RHSMWYFYSA-N 2 0 331.891 3.954 20 30 EHEDRP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602577560 1032995557 /nfs/dbraw/zinc/99/55/57/1032995557.db2.gz VRPSJBSZXPRNFM-QXWDQEIOSA-N 2 0 325.500 3.959 20 30 EHEDRP CCC(CC)CN(CCC#N)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346159390 1024471737 /nfs/dbraw/zinc/47/17/37/1024471737.db2.gz VFMDXHBATLFHPZ-UHFFFAOYSA-N 2 0 325.460 3.728 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442707080 1025433812 /nfs/dbraw/zinc/43/38/12/1025433812.db2.gz FSAYHGNMGRORMG-KJNZLNQQSA-N 2 0 325.500 3.946 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000089214848 1025570189 /nfs/dbraw/zinc/57/01/89/1025570189.db2.gz SOPDVYALSKJDOF-SFHVURJKSA-N 2 0 349.478 3.661 20 30 EHEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000442901085 1025586271 /nfs/dbraw/zinc/58/62/71/1025586271.db2.gz NNKBTFDRDJBZTH-KRWDZBQOSA-N 2 0 334.467 3.863 20 30 EHEDRP CC1(C#N)CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000423483161 1028475125 /nfs/dbraw/zinc/47/51/25/1028475125.db2.gz YLHRWBSRMKTZCJ-OXHPOLQJSA-N 2 0 329.463 3.581 20 30 EHEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886397 1030764427 /nfs/dbraw/zinc/76/44/27/1030764427.db2.gz OTQPCHJHTHUOGG-PZJWPPBQSA-N 2 0 342.527 3.860 20 30 EHEDRP C[NH+](C)CCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000343453619 1030957183 /nfs/dbraw/zinc/95/71/83/1030957183.db2.gz OYFOCCXDBPXFIP-UHFFFAOYSA-N 2 0 337.467 3.569 20 30 EHEDRP C=CC[N@@H+](Cc1cc(Br)ccc1F)CC1CC[NH2+]CC1 ZINC000178970424 1031726000 /nfs/dbraw/zinc/72/60/00/1031726000.db2.gz RVGRCPLDBBWRCW-UHFFFAOYSA-N 2 0 341.268 3.576 20 30 EHEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131836 1032045094 /nfs/dbraw/zinc/04/50/94/1032045094.db2.gz KUPMIQJIWXWPGZ-QUCCMNQESA-N 2 0 349.478 3.762 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594944282 1033591056 /nfs/dbraw/zinc/59/10/56/1033591056.db2.gz SNAJBLJFYYKWFS-HKUYNNGSSA-N 2 0 337.511 3.984 20 30 EHEDRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000599069180 1033710060 /nfs/dbraw/zinc/71/00/60/1033710060.db2.gz CTCCCPGVGWZRKA-KMFTYDHNSA-N 2 0 325.500 3.712 20 30 EHEDRP C=CCOc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000075758093 1033739782 /nfs/dbraw/zinc/73/97/82/1033739782.db2.gz KDBSISGPRGQDTD-UHFFFAOYSA-N 2 0 333.435 3.786 20 30 EHEDRP C[NH+](C)Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000179778946 1034599815 /nfs/dbraw/zinc/59/98/15/1034599815.db2.gz JUEGEMLENIJPDA-UHFFFAOYSA-N 2 0 348.494 3.696 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000613256194 1035478334 /nfs/dbraw/zinc/47/83/34/1035478334.db2.gz QREOVRHFPRPMMG-LXHROKJGSA-N 2 0 337.511 3.959 20 30 EHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000574005047 1037968530 /nfs/dbraw/zinc/96/85/30/1037968530.db2.gz BFPNMRODGNSMFI-NZQKXSOJSA-N 2 0 345.490 3.700 20 30 EHEDRP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2[nH+]1 ZINC000041872756 1040595773 /nfs/dbraw/zinc/59/57/73/1040595773.db2.gz PYPAUMZNBMECTP-UHFFFAOYSA-N 2 0 342.446 3.737 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237538314 1123080558 /nfs/dbraw/zinc/08/05/58/1123080558.db2.gz ZONILXIRRIOJBC-MSOLQXFVSA-N 2 0 329.488 3.579 20 30 EHEDRP CN(CCC#N)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922848282 1129690710 /nfs/dbraw/zinc/69/07/10/1129690710.db2.gz PXONDBNFRRBUJX-UHFFFAOYSA-N 2 0 340.515 3.533 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000246061826 1130339581 /nfs/dbraw/zinc/33/95/81/1130339581.db2.gz WDVZHENLVFYGES-OEWRPIJISA-N 2 0 333.479 3.804 20 30 EHEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733326243 1131025906 /nfs/dbraw/zinc/02/59/06/1131025906.db2.gz QYGWQTPGVKIDIG-QFIPXVFZSA-N 2 0 348.490 3.700 20 30 EHEDRP CCSC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294223 1132030453 /nfs/dbraw/zinc/03/04/53/1132030453.db2.gz FQFVPUGMPDALMJ-ATZDWAIDSA-N 2 0 331.529 3.772 20 30 EHEDRP N#CCC1CCC([NH2+]CCCP(CCC[NH3+])c2ccccc2)CC1 ZINC001173334811 1132051417 /nfs/dbraw/zinc/05/14/17/1132051417.db2.gz YCFUUBNXLXHOIC-UHFFFAOYSA-N 2 0 345.471 3.595 20 30 EHEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CC1 ZINC001173591759 1132096357 /nfs/dbraw/zinc/09/63/57/1132096357.db2.gz XXKSALRYZMTKKS-UHFFFAOYSA-N 2 0 329.463 3.634 20 30 EHEDRP C=CCC(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001178796141 1133199543 /nfs/dbraw/zinc/19/95/43/1133199543.db2.gz TUNJRTWYNMDEBD-UHFFFAOYSA-N 2 0 335.923 3.784 20 30 EHEDRP CC[C@H]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197744 1134713361 /nfs/dbraw/zinc/71/33/61/1134713361.db2.gz YCOGPJJRKGELFO-TUFLPTIASA-N 2 0 341.499 3.588 20 30 EHEDRP N#Cc1ccc(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253747 /nfs/dbraw/zinc/25/37/47/1135253747.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 2 0 345.490 3.699 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738601 1135882675 /nfs/dbraw/zinc/88/26/75/1135882675.db2.gz AZHNNKHRUKIUEI-KRWDZBQOSA-N 2 0 337.467 3.671 20 30 EHEDRP CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000865405751 1137280522 /nfs/dbraw/zinc/28/05/22/1137280522.db2.gz VBWUELPQHVKEPP-UHFFFAOYSA-N 2 0 348.494 3.510 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201123 1137317351 /nfs/dbraw/zinc/31/73/51/1137317351.db2.gz IFGVCTSYMKCBME-ZPMCFJSWSA-N 2 0 348.494 3.656 20 30 EHEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1Cc2ccccc2O1 ZINC000883227413 1137849400 /nfs/dbraw/zinc/84/94/00/1137849400.db2.gz QCQSLNDTPLSUJF-SMVGOTRKSA-N 2 0 326.484 3.540 20 30 EHEDRP N#CC1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886605315 1138100950 /nfs/dbraw/zinc/10/09/50/1138100950.db2.gz NSJZSSDDCPUSHV-ARKNQYIKSA-N 2 0 337.511 3.959 20 30 EHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614397602 1018965470 /nfs/dbraw/zinc/96/54/70/1018965470.db2.gz HZJXFHDZGKJFET-UHFFFAOYSA-N 2 0 325.500 3.955 20 30 EHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602545934 1032957008 /nfs/dbraw/zinc/95/70/08/1032957008.db2.gz RTJRIBNDPKRWFX-SJORKVTESA-N 2 0 346.494 3.558 20 30 EHEDRP C=C(C)COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000506394930 1023058728 /nfs/dbraw/zinc/05/87/28/1023058728.db2.gz MDRCIUPBNKOGDW-UHFFFAOYSA-N 2 0 346.515 3.955 20 30 EHEDRP COc1ccc(C#N)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610952783 1023903449 /nfs/dbraw/zinc/90/34/49/1023903449.db2.gz MFWXLUJEOJCMHG-UHFFFAOYSA-N 2 0 341.499 3.655 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895378082 1024427377 /nfs/dbraw/zinc/42/73/77/1024427377.db2.gz PNHPKKJIBGIDTH-MBOZVWFJSA-N 2 0 329.488 3.530 20 30 EHEDRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423038443 1028143344 /nfs/dbraw/zinc/14/33/44/1028143344.db2.gz YUBLTJOJSJAZFU-HRAATJIYSA-N 2 0 337.467 3.630 20 30 EHEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453368651 1030182172 /nfs/dbraw/zinc/18/21/72/1030182172.db2.gz UTYQHSFZBRNBIM-XNTOXWQXSA-N 2 0 326.484 3.505 20 30 EHEDRP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236308 /nfs/dbraw/zinc/23/63/08/1030236308.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 2 0 346.515 3.812 20 30 EHEDRP C[NH+](C)CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594519823 1033426924 /nfs/dbraw/zinc/42/69/24/1033426924.db2.gz LPVUBCMLZHEJRT-UHFFFAOYSA-N 2 0 349.478 3.668 20 30 EHEDRP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)C1 ZINC000594952154 1033596397 /nfs/dbraw/zinc/59/63/97/1033596397.db2.gz WZYBFKAGRGNOTC-IRLDBZIGSA-N 2 0 345.490 3.677 20 30 EHEDRP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059659 1034055962 /nfs/dbraw/zinc/05/59/62/1034055962.db2.gz UFOQUVAXQRGHFG-LJQANCHMSA-N 2 0 325.500 3.699 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000589336426 1036348625 /nfs/dbraw/zinc/34/86/25/1036348625.db2.gz DNKNISPHNHCNCM-LLGFUMIMSA-N 2 0 325.500 3.893 20 30 EHEDRP C=CCC[C@H](CCC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297665 1036517667 /nfs/dbraw/zinc/51/76/67/1036517667.db2.gz GLUPONGVTBLKHU-FQEVSTJZSA-N 2 0 330.516 3.738 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929787 1036567318 /nfs/dbraw/zinc/56/73/18/1036567318.db2.gz FQWQWNMCYKTBPE-GHTZIAJQSA-N 2 0 349.478 3.589 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006830 1036606433 /nfs/dbraw/zinc/60/64/33/1036606433.db2.gz YYHYOZLYZZDPCJ-PGRDOPGGSA-N 2 0 333.479 3.753 20 30 EHEDRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000278886467 1042838621 /nfs/dbraw/zinc/83/86/21/1042838621.db2.gz YHHDJMSYQWEOHU-FQEVSTJZSA-N 2 0 337.467 3.740 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001167833505 1043006273 /nfs/dbraw/zinc/00/62/73/1043006273.db2.gz CDMGLAHWYRLRHR-RXVVDRJESA-N 2 0 343.515 3.912 20 30 EHEDRP C=C(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000620756709 1128808542 /nfs/dbraw/zinc/80/85/42/1128808542.db2.gz OHWXJKUERXBSAQ-UHFFFAOYSA-N 2 0 336.479 3.964 20 30 EHEDRP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000272185778 1120523705 /nfs/dbraw/zinc/52/37/05/1120523705.db2.gz GOMVSAYGXFKTIO-KRWDZBQOSA-N 2 0 349.478 3.839 20 30 EHEDRP CC[N@@H+]1CC[C@@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000247248354 1124599579 /nfs/dbraw/zinc/59/95/79/1124599579.db2.gz UICNZNPTLOFKKG-MAUKXSAKSA-N 2 0 338.417 3.719 20 30 EHEDRP C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282419605 1129769718 /nfs/dbraw/zinc/76/97/18/1129769718.db2.gz SNYWGCDOGRVJFI-HZGZPEGRSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107935 1130323318 /nfs/dbraw/zinc/32/33/18/1130323318.db2.gz JIIHEMSKMQZZJU-WMLDXEAASA-N 2 0 325.481 3.859 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324707 1131025301 /nfs/dbraw/zinc/02/53/01/1131025301.db2.gz VIKKANVCFZHYTM-BGYRXZFFSA-N 2 0 342.527 3.936 20 30 EHEDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C4CCC(C)(C#N)CC4)C[C@H]3C2)cc1 ZINC001173594678 1132099282 /nfs/dbraw/zinc/09/92/82/1132099282.db2.gz DJCKMJYOPSNENH-JTVPBKEVSA-N 2 0 337.511 3.831 20 30 EHEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C#N ZINC001169153801 1132680382 /nfs/dbraw/zinc/68/03/82/1132680382.db2.gz UJXJJISQDXUXJT-PNYYXPLCSA-N 2 0 341.503 3.735 20 30 EHEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000768304152 1133123515 /nfs/dbraw/zinc/12/35/15/1133123515.db2.gz SZVRICJBZOYHAZ-KRWDZBQOSA-N 2 0 329.488 3.531 20 30 EHEDRP CCC[NH+]1C[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]2C1 ZINC001170398372 1134764853 /nfs/dbraw/zinc/76/48/53/1134764853.db2.gz PDHNWEVDIJVQIZ-RVEPMOMFSA-N 2 0 337.511 3.664 20 30 EHEDRP C#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001144571796 1137311563 /nfs/dbraw/zinc/31/15/63/1137311563.db2.gz ISMIGTPNFKJWOC-UHFFFAOYSA-N 2 0 345.490 3.551 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000772958280 1137380398 /nfs/dbraw/zinc/38/03/98/1137380398.db2.gz WLKDIRZWUVIYGR-HXUWFJFHSA-N 2 0 328.500 3.546 20 30 EHEDRP N#CC1(Nc2ccc(C3([NH3+])CC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171278012 1137391765 /nfs/dbraw/zinc/39/17/65/1137391765.db2.gz ZEZPARKANNLPBR-UHFFFAOYSA-N 2 0 346.478 3.605 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304501 1137545303 /nfs/dbraw/zinc/54/53/03/1137545303.db2.gz MKSCRZIRNDNCLD-XJABCFGWSA-N 2 0 348.494 3.656 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172312799 1137546403 /nfs/dbraw/zinc/54/64/03/1137546403.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 2 0 345.490 3.553 20 30 EHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300017 1137549007 /nfs/dbraw/zinc/54/90/07/1137549007.db2.gz QVGKNWGRYQDVIO-KRWDZBQOSA-N 2 0 327.516 3.979 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001172299904 1137549136 /nfs/dbraw/zinc/54/91/36/1137549136.db2.gz PNYKUQXDEVOTAQ-QGZVFWFLSA-N 2 0 325.500 3.591 20 30 EHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000348316878 1137945820 /nfs/dbraw/zinc/94/58/20/1137945820.db2.gz HNEMIFPBCVBFDK-RTBURBONSA-N 2 0 335.536 3.577 20 30 EHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000181512317 1139911549 /nfs/dbraw/zinc/91/15/49/1139911549.db2.gz LYFMFIAADSUTOG-GOSISDBHSA-N 2 0 329.488 3.752 20 30 EHEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000192789231 1140550674 /nfs/dbraw/zinc/55/06/74/1140550674.db2.gz BOHVYRLCGXDBRH-NRFANRHFSA-N 2 0 329.532 3.700 20 30 EHEDRP C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266607591 1140708009 /nfs/dbraw/zinc/70/80/09/1140708009.db2.gz ZAOFPPJGKPGINF-OAQYLSRUSA-N 2 0 349.478 3.543 20 30 EHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000348960932 1141615254 /nfs/dbraw/zinc/61/52/54/1141615254.db2.gz CRZSVFFDKKJRQT-UHFFFAOYSA-N 2 0 337.467 3.651 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000154325319 1015367515 /nfs/dbraw/zinc/36/75/15/1015367515.db2.gz XCSPMEOKGHEQHM-SJORKVTESA-N 2 0 337.467 3.910 20 30 EHEDRP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516779 1016801157 /nfs/dbraw/zinc/80/11/57/1016801157.db2.gz OQIDHRRQWVLCBD-QFIPXVFZSA-N 2 0 349.478 3.569 20 30 EHEDRP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1C#N ZINC000190909017 1032409898 /nfs/dbraw/zinc/40/98/98/1032409898.db2.gz TXBSYPVNHNWZCA-UHFFFAOYSA-N 2 0 336.483 3.563 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602572184 1032981881 /nfs/dbraw/zinc/98/18/81/1032981881.db2.gz YRDGZQGOSYUJHO-XHEHWMSISA-N 2 0 325.500 3.815 20 30 EHEDRP CC[NH+](CC)CCOC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000437580893 1021967020 /nfs/dbraw/zinc/96/70/20/1021967020.db2.gz RDEBFEZAUKDAAU-UHFFFAOYSA-N 2 0 348.918 3.514 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC000895378084 1024426430 /nfs/dbraw/zinc/42/64/30/1024426430.db2.gz PNHPKKJIBGIDTH-SQGPQFPESA-N 2 0 329.488 3.530 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1CNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168026940 1024467711 /nfs/dbraw/zinc/46/77/11/1024467711.db2.gz MKQQXYVXOMODIW-KNKQGSTJSA-N 2 0 341.543 3.668 20 30 EHEDRP N#Cc1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685171 1025068255 /nfs/dbraw/zinc/06/82/55/1025068255.db2.gz XIBILVXOQQFCHY-LJQANCHMSA-N 2 0 337.492 3.764 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442707078 1025434447 /nfs/dbraw/zinc/43/44/47/1025434447.db2.gz FSAYHGNMGRORMG-HRQSHJORSA-N 2 0 325.500 3.946 20 30 EHEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475222844 1026399596 /nfs/dbraw/zinc/39/95/96/1026399596.db2.gz DGNLRDZZZLROOS-NRFANRHFSA-N 2 0 336.479 3.863 20 30 EHEDRP N#CC1(c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031155 1034505381 /nfs/dbraw/zinc/50/53/81/1034505381.db2.gz VQHPRYUGBGNDQY-WIYYLYMNSA-N 2 0 335.495 3.690 20 30 EHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOc3ccc(C#N)cc3)CC2)C1 ZINC000090107832 1036048680 /nfs/dbraw/zinc/04/86/80/1036048680.db2.gz JAWASXXDWFMUEC-YLJYHZDGSA-N 2 0 341.499 3.570 20 30 EHEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591839143 1037648104 /nfs/dbraw/zinc/64/81/04/1037648104.db2.gz YHLVCKBTBGRTFA-KRWDZBQOSA-N 2 0 337.467 3.692 20 30 EHEDRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000463249701 1037951561 /nfs/dbraw/zinc/95/15/61/1037951561.db2.gz XBXFDPSTCZMZCO-XMSQKQJNSA-N 2 0 333.479 3.743 20 30 EHEDRP N#CC1(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000411504319 1040922292 /nfs/dbraw/zinc/92/22/92/1040922292.db2.gz ZAIJBJYYTBDZAB-UHFFFAOYSA-N 2 0 347.547 3.675 20 30 EHEDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000344529617 1044104809 /nfs/dbraw/zinc/10/48/09/1044104809.db2.gz CEKPNCNXXSHOHV-UHFFFAOYSA-N 2 0 348.922 3.511 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000764964303 1127560057 /nfs/dbraw/zinc/56/00/57/1127560057.db2.gz SCQWKTKOSGCLFU-OALUTQOASA-N 2 0 328.500 3.861 20 30 EHEDRP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000618191993 1125017803 /nfs/dbraw/zinc/01/78/03/1125017803.db2.gz CIMPZGCUFOFDIZ-OAQYLSRUSA-N 2 0 333.479 3.869 20 30 EHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000658034006 1130070322 /nfs/dbraw/zinc/07/03/22/1130070322.db2.gz FRKAILQAJQGNAB-RTWAWAEBSA-N 2 0 342.527 3.738 20 30 EHEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000733324644 1131025620 /nfs/dbraw/zinc/02/56/20/1131025620.db2.gz PXJWLXJSAUMBIC-OALUTQOASA-N 2 0 328.500 3.546 20 30 EHEDRP CO[C@@H]1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931542 1131910553 /nfs/dbraw/zinc/91/05/53/1131910553.db2.gz UZLMMZUQVPPLPE-XSDIEEQYSA-N 2 0 341.499 3.588 20 30 EHEDRP CCSC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294224 1132029792 /nfs/dbraw/zinc/02/97/92/1132029792.db2.gz FQFVPUGMPDALMJ-SNRMKQJTSA-N 2 0 331.529 3.772 20 30 EHEDRP C=CCOC1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173327667 1132048499 /nfs/dbraw/zinc/04/84/99/1132048499.db2.gz QQVXIEQCSBTSPF-PHZLKFDYSA-N 2 0 340.511 3.564 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601426 1132101802 /nfs/dbraw/zinc/10/18/02/1132101802.db2.gz SYJNKYSXGUYCJC-GEOZSUPMSA-N 2 0 337.511 3.913 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000774128648 1133619253 /nfs/dbraw/zinc/61/92/53/1133619253.db2.gz CIDFHKRHVSGFMN-DKUWSORSSA-N 2 0 331.463 3.843 20 30 EHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCN1CCc2ccccc2C1 ZINC001199239060 1135889385 /nfs/dbraw/zinc/88/93/85/1135889385.db2.gz YQLQXHUGACTCAW-UHFFFAOYSA-N 2 0 333.479 3.713 20 30 EHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000105448984 1135948095 /nfs/dbraw/zinc/94/80/95/1135948095.db2.gz DQMKUDYIPNBLKP-KRWDZBQOSA-N 2 0 337.467 3.719 20 30 EHEDRP CCCCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201776340 1136065523 /nfs/dbraw/zinc/06/55/23/1136065523.db2.gz CAVZRUMLJSOWMV-NHCUHLMSSA-N 2 0 345.531 3.575 20 30 EHEDRP C/C(N[C@H]1CCc2c(Cl)cccc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001171033265 1137114588 /nfs/dbraw/zinc/11/45/88/1137114588.db2.gz LUHQUJXHIYJLAE-SFHVURJKSA-N 2 0 341.886 3.864 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171179318 1137290826 /nfs/dbraw/zinc/29/08/26/1137290826.db2.gz RINGHIFXGGNKOR-PGRDOPGGSA-N 2 0 333.479 3.601 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]\C2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC000794849291 1137296892 /nfs/dbraw/zinc/29/68/92/1137296892.db2.gz WFLASUKRHHTFDL-QNGOZBTKSA-N 2 0 329.488 3.674 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001171194982 1137301477 /nfs/dbraw/zinc/30/14/77/1137301477.db2.gz OATJDGKPWJXRIY-KRWDZBQOSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001172308811 1137545952 /nfs/dbraw/zinc/54/59/52/1137545952.db2.gz ZWVKQAJILFVEMN-KRWDZBQOSA-N 2 0 325.500 3.543 20 30 EHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC([NH3+])(CC(=O)OCC)CC1 ZINC001172358384 1137554451 /nfs/dbraw/zinc/55/44/51/1137554451.db2.gz OLKCSXAXOSFXFE-QGZVFWFLSA-N 2 0 326.525 3.872 20 30 EHEDRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196766 1140019435 /nfs/dbraw/zinc/01/94/35/1140019435.db2.gz ZFGYWMIQPMAYDA-ZHALLVOQSA-N 2 0 341.499 3.893 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185782059 1140169301 /nfs/dbraw/zinc/16/93/01/1140169301.db2.gz NATIYHZXXUGQLA-IEBWSBKVSA-N 2 0 329.488 3.579 20 30 EHEDRP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271619231 1141408139 /nfs/dbraw/zinc/40/81/39/1141408139.db2.gz CNTDAVWLDHYERW-CALCHBBNSA-N 2 0 332.451 3.821 20 30 EHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000449061889 1032107419 /nfs/dbraw/zinc/10/74/19/1032107419.db2.gz WVWPKRINKYNTRH-SFHVURJKSA-N 2 0 330.516 3.868 20 30 EHEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000181436238 1016662523 /nfs/dbraw/zinc/66/25/23/1016662523.db2.gz DPVXNXCFJVBGKP-UHFFFAOYSA-N 2 0 341.405 3.591 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)C1 ZINC000602513307 1032947240 /nfs/dbraw/zinc/94/72/40/1032947240.db2.gz FTEXWUXWDZOZRQ-HDICACEKSA-N 2 0 348.494 3.721 20 30 EHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602545933 1032955940 /nfs/dbraw/zinc/95/59/40/1032955940.db2.gz RTJRIBNDPKRWFX-IRXDYDNUSA-N 2 0 346.494 3.558 20 30 EHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCC(C#N)CC1 ZINC000602572182 1032981620 /nfs/dbraw/zinc/98/16/20/1032981620.db2.gz YRDGZQGOSYUJHO-LBVWLFBPSA-N 2 0 325.500 3.815 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000346131201 1024434512 /nfs/dbraw/zinc/43/45/12/1024434512.db2.gz NCNWVCCPJXOEHI-CYBMUJFWSA-N 2 0 329.394 3.749 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442719542 1025453267 /nfs/dbraw/zinc/45/32/67/1025453267.db2.gz QFUOAGCVYNFCKI-TWFHAPMSSA-N 2 0 325.500 3.946 20 30 EHEDRP CC(C)(C#N)CCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000444667331 1028140428 /nfs/dbraw/zinc/14/04/28/1028140428.db2.gz CCCMAHCDUKRBTH-UHFFFAOYSA-N 2 0 335.536 3.531 20 30 EHEDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000423482046 1028472352 /nfs/dbraw/zinc/47/23/52/1028472352.db2.gz XOERGHHMPPWCQW-PAXLWEDBSA-N 2 0 337.442 3.741 20 30 EHEDRP C=CCC[C@@H](CCC)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423575469 1028524081 /nfs/dbraw/zinc/52/40/81/1028524081.db2.gz QFORCBRPSPOFGR-HXUWFJFHSA-N 2 0 329.532 3.704 20 30 EHEDRP C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1ccnc1 ZINC000245605168 1030160985 /nfs/dbraw/zinc/16/09/85/1030160985.db2.gz NBWVSMAZZMABMX-CRAIPNDOSA-N 2 0 347.384 3.837 20 30 EHEDRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594927210 1033548995 /nfs/dbraw/zinc/54/89/95/1033548995.db2.gz ZMJNWFFZXONJLM-ROUUACIJSA-N 2 0 325.500 3.699 20 30 EHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1ccc(C#N)cc1 ZINC000595435454 1033800614 /nfs/dbraw/zinc/80/06/14/1033800614.db2.gz FVQJSFJEMNFSOV-RTBURBONSA-N 2 0 347.506 3.847 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000414159205 1035812561 /nfs/dbraw/zinc/81/25/61/1035812561.db2.gz AZWMYTYGXZKUCW-AQNXPRMDSA-N 2 0 325.500 3.959 20 30 EHEDRP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1C#N ZINC000443986862 1036214446 /nfs/dbraw/zinc/21/44/46/1036214446.db2.gz GEIFNFMLFKYVHD-NRFANRHFSA-N 2 0 333.479 3.521 20 30 EHEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000592391393 1037953876 /nfs/dbraw/zinc/95/38/76/1037953876.db2.gz ALFQKJYVCPJWLP-LJQANCHMSA-N 2 0 347.506 3.938 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000236693515 1039595888 /nfs/dbraw/zinc/59/58/88/1039595888.db2.gz QBRWRFUJOTYKCY-UHFFFAOYSA-N 2 0 348.490 3.974 20 30 EHEDRP COc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000397485920 1041163580 /nfs/dbraw/zinc/16/35/80/1041163580.db2.gz BRURYUJRVFITDJ-UHFFFAOYSA-N 2 0 349.478 3.569 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000764964310 1127559734 /nfs/dbraw/zinc/55/97/34/1127559734.db2.gz SCQWKTKOSGCLFU-RTBURBONSA-N 2 0 328.500 3.861 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000764964307 1127559981 /nfs/dbraw/zinc/55/99/81/1127559981.db2.gz SCQWKTKOSGCLFU-RBUKOAKNSA-N 2 0 328.500 3.861 20 30 EHEDRP Cc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000488162621 1122248080 /nfs/dbraw/zinc/24/80/80/1122248080.db2.gz XIZFZAXPKDYMDX-UHFFFAOYSA-N 2 0 334.467 3.610 20 30 EHEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000922160579 1129181650 /nfs/dbraw/zinc/18/16/50/1129181650.db2.gz WBIDRKMQZLZFGP-UHFFFAOYSA-N 2 0 338.293 3.531 20 30 EHEDRP C=CC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019116 1129804131 /nfs/dbraw/zinc/80/41/31/1129804131.db2.gz KDOZJEUUFDEUSF-LAUBAEHRSA-N 2 0 339.483 3.990 20 30 EHEDRP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831813 1130175548 /nfs/dbraw/zinc/17/55/48/1130175548.db2.gz SOAAKSIRBHTUBT-NQIIRXRSSA-N 2 0 333.479 3.867 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324546 1131025504 /nfs/dbraw/zinc/02/55/04/1131025504.db2.gz JIBPQKJIVNXUMX-KDURUIRLSA-N 2 0 328.500 3.546 20 30 EHEDRP C=CCOC1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173312301 1132037268 /nfs/dbraw/zinc/03/72/68/1132037268.db2.gz XVOYIFLHGKULTK-QNGMFEMESA-N 2 0 328.500 3.612 20 30 EHEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C#N ZINC001169153799 1132680728 /nfs/dbraw/zinc/68/07/28/1132680728.db2.gz UJXJJISQDXUXJT-MQKWGWFZSA-N 2 0 341.503 3.735 20 30 EHEDRP C#CCCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000768927771 1133205214 /nfs/dbraw/zinc/20/52/14/1133205214.db2.gz WIPCUNDYNAMKOI-UHFFFAOYSA-N 2 0 328.500 3.641 20 30 EHEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC001202365955 1136134285 /nfs/dbraw/zinc/13/42/85/1136134285.db2.gz HVHPBNWXQGOGIS-MJGOQNOKSA-N 2 0 328.500 3.994 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827138 1137267782 /nfs/dbraw/zinc/26/77/82/1137267782.db2.gz ICLDHUZTTMJBHL-FPOVZHCZSA-N 2 0 348.490 3.871 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001171195311 1137301603 /nfs/dbraw/zinc/30/16/03/1137301603.db2.gz REBPHSPWIPECJS-QGZVFWFLSA-N 2 0 325.500 3.591 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000716730941 1137488481 /nfs/dbraw/zinc/48/84/81/1137488481.db2.gz IHSXBMMYEMPDSP-BDTNDASRSA-N 2 0 331.463 3.701 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000115624199 1137922579 /nfs/dbraw/zinc/92/25/79/1137922579.db2.gz QLGLKRGBWWYTLO-UHFFFAOYSA-N 2 0 340.442 3.579 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1)CC(C)C ZINC000886104842 1138047139 /nfs/dbraw/zinc/04/71/39/1138047139.db2.gz LXGPNDLXGHIBHY-HXUWFJFHSA-N 2 0 349.563 3.511 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183196745 1140019021 /nfs/dbraw/zinc/01/90/21/1140019021.db2.gz ZFGYWMIQPMAYDA-YQVWRLOYSA-N 2 0 341.499 3.893 20 30 EHEDRP C[NH+](C)C[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054506 1140562356 /nfs/dbraw/zinc/56/23/56/1140562356.db2.gz YXHPLLONPOCYAL-HXUWFJFHSA-N 2 0 347.506 3.770 20 30 EHEDRP C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271653578 1141413506 /nfs/dbraw/zinc/41/35/06/1141413506.db2.gz JOQYZCGLSXLGCG-ZFRRBFPSSA-N 2 0 344.462 3.988 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001167316191 1017949681 /nfs/dbraw/zinc/94/96/81/1017949681.db2.gz IYDITETXUZRMDR-HXUWFJFHSA-N 2 0 332.451 3.807 20 30 EHEDRP N#Cc1csc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177690522 1018496842 /nfs/dbraw/zinc/49/68/42/1018496842.db2.gz JIPMNTXJJBZOQV-UHFFFAOYSA-N 2 0 325.481 3.622 20 30 EHEDRP N#Cc1csc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000177693031 1018522889 /nfs/dbraw/zinc/52/28/89/1018522889.db2.gz WWGYDXSZKFZINJ-UHFFFAOYSA-N 2 0 331.510 3.683 20 30 EHEDRP C[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434536 1021434779 /nfs/dbraw/zinc/43/47/79/1021434779.db2.gz BVRBVRPPMFZGRJ-YOEHRIQHSA-N 2 0 331.891 3.954 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000299275782 1022023415 /nfs/dbraw/zinc/02/34/15/1022023415.db2.gz YIDJTBMKJSTNKM-SFHVURJKSA-N 2 0 330.520 3.637 20 30 EHEDRP N#CC1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665466 1033061714 /nfs/dbraw/zinc/06/17/14/1033061714.db2.gz BZEZAUIKGFXHEP-VEDCXYSMSA-N 2 0 325.500 3.961 20 30 EHEDRP C=CCOc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960456 /nfs/dbraw/zinc/96/04/56/1023960456.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 2 0 348.531 3.553 20 30 EHEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745052 1024402661 /nfs/dbraw/zinc/40/26/61/1024402661.db2.gz PVRFWFMUVFLFJV-NRFANRHFSA-N 2 0 349.478 3.569 20 30 EHEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000262256017 1025157390 /nfs/dbraw/zinc/15/73/90/1025157390.db2.gz JAPXUZRMFIDYMN-KRWDZBQOSA-N 2 0 342.512 3.929 20 30 EHEDRP COc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccc1C#N ZINC000442883465 1025565097 /nfs/dbraw/zinc/56/50/97/1025565097.db2.gz VIDRVBXDLZEMGB-UHFFFAOYSA-N 2 0 341.499 3.655 20 30 EHEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])Nc2ccccc2)c2ccccc2)CC1 ZINC000303375905 1027542890 /nfs/dbraw/zinc/54/28/90/1027542890.db2.gz OGHRWJABQWLPDO-FQEVSTJZSA-N 2 0 336.483 3.886 20 30 EHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(C)(C)C#N)CC1 ZINC000272004664 1029267739 /nfs/dbraw/zinc/26/77/39/1029267739.db2.gz IPUXQEGPBGTDFS-INIZCTEOSA-N 2 0 346.494 3.558 20 30 EHEDRP C=CCC[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000273590333 1029826159 /nfs/dbraw/zinc/82/61/59/1029826159.db2.gz OXZWQVYYPLXGGI-SFHVURJKSA-N 2 0 346.515 3.621 20 30 EHEDRP C[NH+](C)CCC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000092381069 1030440410 /nfs/dbraw/zinc/44/04/10/1030440410.db2.gz GDVMSYIGIWLOGP-UHFFFAOYSA-N 2 0 329.488 3.533 20 30 EHEDRP C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000399040463 1036607060 /nfs/dbraw/zinc/60/70/60/1036607060.db2.gz RAZGVGIDMYSEER-JOCHJYFZSA-N 2 0 333.479 3.707 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000610829902 1037240215 /nfs/dbraw/zinc/24/02/15/1037240215.db2.gz RGQDWAYZWOVDRO-DLBZAZTESA-N 2 0 337.467 3.910 20 30 EHEDRP C=CCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccco1 ZINC000552043551 1038906552 /nfs/dbraw/zinc/90/65/52/1038906552.db2.gz RQCGNPSOWZGJKF-LJQANCHMSA-N 2 0 345.531 3.827 20 30 EHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466715 1040286972 /nfs/dbraw/zinc/28/69/72/1040286972.db2.gz SELLKUZPVFUBOK-FUHWJXTLSA-N 2 0 337.442 3.870 20 30 EHEDRP C=CC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CC=C)C3)COC2)C1 ZINC000661380308 1042093721 /nfs/dbraw/zinc/09/37/21/1042093721.db2.gz FIUPNWIBQJMDOI-PMACEKPBSA-N 2 0 332.532 3.579 20 30 EHEDRP C[N@@H+]1CCC[C@@H](CNCc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775566 1128750780 /nfs/dbraw/zinc/75/07/80/1128750780.db2.gz GDLAPCTWXKCOOQ-YOEHRIQHSA-N 2 0 331.510 3.854 20 30 EHEDRP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000272281167 1121510799 /nfs/dbraw/zinc/51/07/99/1121510799.db2.gz OTBJGVCVBNIALE-QGZVFWFLSA-N 2 0 349.478 3.839 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000237550178 1123767132 /nfs/dbraw/zinc/76/71/32/1123767132.db2.gz RKOBLVKVOBPCBU-QRVBRYPASA-N 2 0 343.515 3.825 20 30 EHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506670 1131762228 /nfs/dbraw/zinc/76/22/28/1131762228.db2.gz ZAMHWTXZYXHCPS-HMXCVIKNSA-N 2 0 325.500 3.913 20 30 EHEDRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332879 1132050633 /nfs/dbraw/zinc/05/06/33/1132050633.db2.gz VKHZFPUQGONFOE-AXIYNFMDSA-N 2 0 325.500 3.959 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594463 1132099451 /nfs/dbraw/zinc/09/94/51/1132099451.db2.gz DTYXCFNDKRWZIX-FXQQTDPRSA-N 2 0 344.528 3.512 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171179316 1137290774 /nfs/dbraw/zinc/29/07/74/1137290774.db2.gz RINGHIFXGGNKOR-AVRDEDQJSA-N 2 0 333.479 3.601 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001171221117 1137346840 /nfs/dbraw/zinc/34/68/40/1137346840.db2.gz IJCOSICWOWWARK-NQIIRXRSSA-N 2 0 325.500 3.830 20 30 EHEDRP N#CC1(Nc2cc3[nH]cnc3cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001171277012 1137390246 /nfs/dbraw/zinc/39/02/46/1137390246.db2.gz HSXZNNORUFMTER-UHFFFAOYSA-N 2 0 349.413 3.672 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172289570 1137548068 /nfs/dbraw/zinc/54/80/68/1137548068.db2.gz FMUQIQFFDMRVSX-XMSQKQJNSA-N 2 0 333.479 3.601 20 30 EHEDRP C=CCc1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc(OC)c1O ZINC000873233053 1137594681 /nfs/dbraw/zinc/59/46/81/1137594681.db2.gz XWIGJRMROAVVPY-IBGZPJMESA-N 2 0 344.499 3.531 20 30 EHEDRP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000883191262 1137847854 /nfs/dbraw/zinc/84/78/54/1137847854.db2.gz XYXGZYFYMQFTDG-IRLDBZIGSA-N 2 0 342.527 3.654 20 30 EHEDRP COc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1C#N ZINC000174312861 1139413632 /nfs/dbraw/zinc/41/36/32/1139413632.db2.gz KVSMGKQMOZVQFE-UHFFFAOYSA-N 2 0 337.467 3.697 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196725 1140020157 /nfs/dbraw/zinc/02/01/57/1140020157.db2.gz ZFGYWMIQPMAYDA-ZIFCJYIRSA-N 2 0 341.499 3.893 20 30 EHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000090106784 1032573008 /nfs/dbraw/zinc/57/30/08/1032573008.db2.gz AKYJGLDESFUNEP-LAUBAEHRSA-N 2 0 341.499 3.570 20 30 EHEDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000610271191 1017120611 /nfs/dbraw/zinc/12/06/11/1017120611.db2.gz JBXYVDPKQVLBJM-LAUBAEHRSA-N 2 0 349.478 3.710 20 30 EHEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@@H+]([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499238 /nfs/dbraw/zinc/49/92/38/1022499238.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 2 0 340.515 3.549 20 30 EHEDRP C=CCC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000550226357 1022809316 /nfs/dbraw/zinc/80/93/16/1022809316.db2.gz KSSHUQMGWKVLAB-UHFFFAOYSA-N 2 0 329.532 3.909 20 30 EHEDRP N#CC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000602717837 1033104817 /nfs/dbraw/zinc/10/48/17/1033104817.db2.gz IQZCKTGAQIVGCT-CKHPTIKVSA-N 2 0 337.511 3.961 20 30 EHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665230438 1024681908 /nfs/dbraw/zinc/68/19/08/1024681908.db2.gz OTMISLVKJMWFGL-WQZMEWCLSA-N 2 0 326.484 3.967 20 30 EHEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000398984901 1024745799 /nfs/dbraw/zinc/74/57/99/1024745799.db2.gz GMEYDMVDMWDAFX-RJGXRXQPSA-N 2 0 345.490 3.753 20 30 EHEDRP C[C@@H](CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982711 1033286721 /nfs/dbraw/zinc/28/67/21/1033286721.db2.gz XENCSWUWPUNHIX-KJFMYELZSA-N 2 0 330.520 3.651 20 30 EHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440629006 1028447101 /nfs/dbraw/zinc/44/71/01/1028447101.db2.gz XOKTUCSJOCCBKA-RTBURBONSA-N 2 0 329.488 3.557 20 30 EHEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594607141 1033474128 /nfs/dbraw/zinc/47/41/28/1033474128.db2.gz PVIJTLMDJONQQU-IBGZPJMESA-N 2 0 325.500 3.651 20 30 EHEDRP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595058199 1033636809 /nfs/dbraw/zinc/63/68/09/1033636809.db2.gz ZGVVYIJFPWPKQM-PGRDOPGGSA-N 2 0 333.479 3.601 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000171562970 1034462449 /nfs/dbraw/zinc/46/24/49/1034462449.db2.gz PGZMSXHIQRBDAZ-GOSISDBHSA-N 2 0 349.478 3.863 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000613256195 1035478417 /nfs/dbraw/zinc/47/84/17/1035478417.db2.gz QREOVRHFPRPMMG-QMCAAQAGSA-N 2 0 337.511 3.959 20 30 EHEDRP CC[NH+](CC)CCCC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000541085484 1035970126 /nfs/dbraw/zinc/97/01/26/1035970126.db2.gz FNVXHQVJCQLHMQ-UHFFFAOYSA-N 2 0 343.515 3.771 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)s2)CC1)CC1CC1 ZINC000539958347 1037406931 /nfs/dbraw/zinc/40/69/31/1037406931.db2.gz RCBJOEOPKHAUAD-UHFFFAOYSA-N 2 0 331.529 3.954 20 30 EHEDRP C[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000552275786 1039150830 /nfs/dbraw/zinc/15/08/30/1039150830.db2.gz ADFSKKDROFIOTK-OKZBNKHCSA-N 2 0 336.401 3.519 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522016 1039197919 /nfs/dbraw/zinc/19/79/19/1039197919.db2.gz IKKVJHBHKRIJIZ-QYZOEREBSA-N 2 0 335.451 3.542 20 30 EHEDRP COc1cccc(NC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000178567609 1044626434 /nfs/dbraw/zinc/62/64/34/1044626434.db2.gz JILVDLOGBNXHKN-OAHLLOKOSA-N 2 0 340.471 3.551 20 30 EHEDRP C=C(C[NH+](C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000764103270 1127443092 /nfs/dbraw/zinc/44/30/92/1127443092.db2.gz UZBWKUCRAHBJDL-UHFFFAOYSA-N 2 0 329.488 3.507 20 30 EHEDRP N#Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309667505 1128911638 /nfs/dbraw/zinc/91/16/38/1128911638.db2.gz QLWDGQHIXHJWRS-QGZVFWFLSA-N 2 0 325.481 3.622 20 30 EHEDRP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266316 1123699084 /nfs/dbraw/zinc/69/90/84/1123699084.db2.gz SFCCRWUUHWCMIJ-AVRDEDQJSA-N 2 0 333.479 3.867 20 30 EHEDRP C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282419619 1129770164 /nfs/dbraw/zinc/77/01/64/1129770164.db2.gz SNYWGCDOGRVJFI-OXKPJDFFSA-N 2 0 325.500 3.817 20 30 EHEDRP C=CCOC1CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173319077 1132060651 /nfs/dbraw/zinc/06/06/51/1132060651.db2.gz XDMHZHPERRZFLI-GOHCJOFJSA-N 2 0 343.515 3.667 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000113315488 1136694110 /nfs/dbraw/zinc/69/41/10/1136694110.db2.gz LYEDBABSAGUHTQ-UHFFFAOYSA-N 2 0 348.490 3.974 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000113317907 1136694616 /nfs/dbraw/zinc/69/46/16/1136694616.db2.gz AXKBEZVMXWSPOQ-UHFFFAOYSA-N 2 0 334.463 3.584 20 30 EHEDRP C=C(C)COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820821175 1137005645 /nfs/dbraw/zinc/00/56/45/1137005645.db2.gz CVWHWGJOSDOBAD-SEJPIABJSA-N 2 0 328.500 3.754 20 30 EHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000866467991 1137357223 /nfs/dbraw/zinc/35/72/23/1137357223.db2.gz WTVZKSZPNYYYQV-KRWDZBQOSA-N 2 0 329.488 3.750 20 30 EHEDRP Cc1[nH]c2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC001171276388 1137388639 /nfs/dbraw/zinc/38/86/39/1137388639.db2.gz AIENKCINFMZJFG-UHFFFAOYSA-N 2 0 345.450 3.842 20 30 EHEDRP N#CC1(Nc2cccc3c2CC[C@@H]3[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001171276832 1137389069 /nfs/dbraw/zinc/38/90/69/1137389069.db2.gz FAENHGKMUHAYKZ-FQEVSTJZSA-N 2 0 346.478 3.603 20 30 EHEDRP C[NH+](CCCCCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311979 1137744096 /nfs/dbraw/zinc/74/40/96/1137744096.db2.gz ZOPIHRCNCDTRLK-WTGUMLROSA-N 2 0 330.520 3.795 20 30 EHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000348316874 1137945843 /nfs/dbraw/zinc/94/58/43/1137945843.db2.gz HNEMIFPBCVBFDK-MOPGFXCFSA-N 2 0 335.536 3.577 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000067120605 1138079703 /nfs/dbraw/zinc/07/97/03/1138079703.db2.gz SRPHRLKSVPKTDF-LJQANCHMSA-N 2 0 342.531 3.781 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000174600585 1139430850 /nfs/dbraw/zinc/43/08/50/1139430850.db2.gz ZYKDQSJCLFOPDR-YQQQUEKLSA-N 2 0 344.499 3.755 20 30 EHEDRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681953 1139924490 /nfs/dbraw/zinc/92/44/90/1139924490.db2.gz JMMOFUKJOLXCPA-WIYYLYMNSA-N 2 0 333.479 3.773 20 30 EHEDRP CC(C)C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH2+][C@H](C)c1ccccc1 ZINC000267416944 1140788514 /nfs/dbraw/zinc/78/85/14/1140788514.db2.gz JNWMNCGHERPUEP-SJLPKXTDSA-N 2 0 339.487 3.574 20 30 EHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000449061888 1032107022 /nfs/dbraw/zinc/10/70/22/1032107022.db2.gz WVWPKRINKYNTRH-GOSISDBHSA-N 2 0 330.516 3.868 20 30 EHEDRP COCCN(C)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449128421 1032219884 /nfs/dbraw/zinc/21/98/84/1032219884.db2.gz SFKNUPIZFZVESX-KBWCOIMZSA-N 2 0 343.515 3.758 20 30 EHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000090106776 1032573183 /nfs/dbraw/zinc/57/31/83/1032573183.db2.gz AKYJGLDESFUNEP-UTKZUKDTSA-N 2 0 341.499 3.570 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134996441 1017994501 /nfs/dbraw/zinc/99/45/01/1017994501.db2.gz BNPQXLLRJNPHEA-UHFFFAOYSA-N 2 0 329.488 3.511 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000593322387 1032897963 /nfs/dbraw/zinc/89/79/63/1032897963.db2.gz MLUCMRDDNQPRQM-UHFFFAOYSA-N 2 0 337.442 3.778 20 30 EHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602545920 1032955614 /nfs/dbraw/zinc/95/56/14/1032955614.db2.gz RTJRIBNDPKRWFX-DLBZAZTESA-N 2 0 346.494 3.558 20 30 EHEDRP CC(C)C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N(C)C ZINC000507636823 1021406227 /nfs/dbraw/zinc/40/62/27/1021406227.db2.gz OOUAPRBPUHFQCO-KBWCOIMZSA-N 2 0 327.516 3.956 20 30 EHEDRP CC(CN(C)Cc1cccc(C#N)c1)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000346429012 1024727738 /nfs/dbraw/zinc/72/77/38/1024727738.db2.gz FNDJLFWHDCAXTR-UHFFFAOYSA-N 2 0 346.478 3.630 20 30 EHEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000305749391 1027879788 /nfs/dbraw/zinc/87/97/88/1027879788.db2.gz XKRJOSVGXRGXFT-UHFFFAOYSA-N 2 0 330.520 3.656 20 30 EHEDRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423038454 1028144013 /nfs/dbraw/zinc/14/40/13/1028144013.db2.gz YUBLTJOJSJAZFU-IIBYNOLFSA-N 2 0 337.467 3.630 20 30 EHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535484 1028503757 /nfs/dbraw/zinc/50/37/57/1028503757.db2.gz XVEIPXPAECNWAB-FDFHNCONSA-N 2 0 331.463 3.671 20 30 EHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000424297032 1028939272 /nfs/dbraw/zinc/93/92/72/1028939272.db2.gz PPFNDNYAHXIYKP-POHUPDAJSA-N 2 0 340.511 3.610 20 30 EHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000343071991 1028958997 /nfs/dbraw/zinc/95/89/97/1028958997.db2.gz RPBZOPXZIUGLME-UHFFFAOYSA-N 2 0 325.431 3.829 20 30 EHEDRP C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+]1CCCCC1 ZINC000237376044 1029081063 /nfs/dbraw/zinc/08/10/63/1029081063.db2.gz LVKPBFDXIUCIFK-SFHVURJKSA-N 2 0 329.488 3.581 20 30 EHEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453368649 1030182877 /nfs/dbraw/zinc/18/28/77/1030182877.db2.gz UTYQHSFZBRNBIM-ADAARDCZSA-N 2 0 326.484 3.505 20 30 EHEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000177500146 1031548226 /nfs/dbraw/zinc/54/82/26/1031548226.db2.gz YAGUGCNMZVEONH-HDICACEKSA-N 2 0 335.536 3.528 20 30 EHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594927209 1033549934 /nfs/dbraw/zinc/54/99/34/1033549934.db2.gz ZMJNWFFZXONJLM-QZTJIDSGSA-N 2 0 325.500 3.699 20 30 EHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055181 1033633152 /nfs/dbraw/zinc/63/31/52/1033633152.db2.gz ACDHFYLYWVSGSL-UTKZUKDTSA-N 2 0 325.500 3.733 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000574003894 1037970628 /nfs/dbraw/zinc/97/06/28/1037970628.db2.gz HUQHOLXARPUEMM-IRQNMHNUSA-N 2 0 337.511 3.997 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522015 1039196664 /nfs/dbraw/zinc/19/66/64/1039196664.db2.gz IKKVJHBHKRIJIZ-CEXWTWQISA-N 2 0 335.451 3.542 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000602023004 1042657203 /nfs/dbraw/zinc/65/72/03/1042657203.db2.gz VQPXHASTYKADAT-DDRJZQQSSA-N 2 0 347.506 3.940 20 30 EHEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000662674350 1042823064 /nfs/dbraw/zinc/82/30/64/1042823064.db2.gz BPRLOISTOKSPEP-NRFANRHFSA-N 2 0 341.499 3.555 20 30 EHEDRP N#Cc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000921630263 1127899996 /nfs/dbraw/zinc/89/99/96/1127899996.db2.gz RLXHXQONHQBENQ-UHFFFAOYSA-N 2 0 331.510 3.683 20 30 EHEDRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013372 1121611790 /nfs/dbraw/zinc/61/17/90/1121611790.db2.gz WHOZTOIHPPCHBQ-AVRDEDQJSA-N 2 0 333.479 3.867 20 30 EHEDRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000181572986 1124934407 /nfs/dbraw/zinc/93/44/07/1124934407.db2.gz LJPXXIFCOIVWDN-MSOLQXFVSA-N 2 0 349.478 3.630 20 30 EHEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000922846632 1129689609 /nfs/dbraw/zinc/68/96/09/1129689609.db2.gz DFWRXUVECYIAHL-UHFFFAOYSA-N 2 0 341.499 3.866 20 30 EHEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733326242 1131026695 /nfs/dbraw/zinc/02/66/95/1131026695.db2.gz QYGWQTPGVKIDIG-JOCHJYFZSA-N 2 0 348.490 3.700 20 30 EHEDRP CC[C@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197743 1134712628 /nfs/dbraw/zinc/71/26/28/1134712628.db2.gz YCOGPJJRKGELFO-NCYKPQTJSA-N 2 0 341.499 3.588 20 30 EHEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000809611437 1135857432 /nfs/dbraw/zinc/85/74/32/1135857432.db2.gz CHCWHKDANJEWPD-UHFFFAOYSA-N 2 0 348.490 3.678 20 30 EHEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C1 ZINC001199336427 1135895757 /nfs/dbraw/zinc/89/57/57/1135895757.db2.gz OIZNTKLVXCCDMK-KNQAVFIVSA-N 2 0 341.543 3.659 20 30 EHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617376 1137369856 /nfs/dbraw/zinc/36/98/56/1137369856.db2.gz IBSQGRZYWDYZLN-NPFVIJTESA-N 2 0 337.511 3.658 20 30 EHEDRP C=CCOc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1OC ZINC000877684867 1137685851 /nfs/dbraw/zinc/68/58/51/1137685851.db2.gz BFOXHFDCKFUSKJ-UHFFFAOYSA-N 2 0 344.499 3.568 20 30 EHEDRP N#CC1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000877697383 1137686118 /nfs/dbraw/zinc/68/61/18/1137686118.db2.gz KHEWPCVAPRIPRV-UHFFFAOYSA-N 2 0 325.500 3.961 20 30 EHEDRP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@H+](C)[C@H]2CC[C@H](C#N)C2)CC1 ZINC000886389246 1138073065 /nfs/dbraw/zinc/07/30/65/1138073065.db2.gz AHZOZINUHHFSKD-RPZLJYRGSA-N 2 0 328.504 3.546 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886605094 1138101140 /nfs/dbraw/zinc/10/11/40/1138101140.db2.gz JKWNIWDTYNXRAF-WIYBCGNWSA-N 2 0 340.511 3.610 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000091412316 1138219369 /nfs/dbraw/zinc/21/93/69/1138219369.db2.gz CFTLICHITJUPQT-LEWJYISDSA-N 2 0 331.463 3.942 20 30 EHEDRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682035 1139924181 /nfs/dbraw/zinc/92/41/81/1139924181.db2.gz UEZPAELBUACGMK-WIYYLYMNSA-N 2 0 333.479 3.773 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000266231021 1140657698 /nfs/dbraw/zinc/65/76/98/1140657698.db2.gz URWJUBAMKYQGOY-UHFFFAOYSA-N 2 0 331.504 3.827 20 30 EHEDRP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271653572 1141413658 /nfs/dbraw/zinc/41/36/58/1141413658.db2.gz JOQYZCGLSXLGCG-GEWVGOBGSA-N 2 0 344.462 3.988 20 30 EHEDRP COc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311869607 1017045140 /nfs/dbraw/zinc/04/51/40/1017045140.db2.gz YXQCRPSZVHSLAY-JOCHJYFZSA-N 2 0 349.478 3.569 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000610829925 1023780328 /nfs/dbraw/zinc/78/03/28/1023780328.db2.gz SANASUFYPGJVOG-SJORKVTESA-N 2 0 337.467 3.910 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC000895378083 1024428211 /nfs/dbraw/zinc/42/82/11/1024428211.db2.gz PNHPKKJIBGIDTH-QKLQHJQFSA-N 2 0 329.488 3.530 20 30 EHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000153657122 1028301940 /nfs/dbraw/zinc/30/19/40/1028301940.db2.gz HBCPNFIXOOHYAS-HNNXBMFYSA-N 2 0 347.459 3.685 20 30 EHEDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000423477868 1028460558 /nfs/dbraw/zinc/46/05/58/1028460558.db2.gz SNYXGMKUINKRLP-MFMILTCTSA-N 2 0 337.442 3.741 20 30 EHEDRP N#Cc1ccc(N2CCC([NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000423509615 1028480065 /nfs/dbraw/zinc/48/00/65/1028480065.db2.gz LOWNBOAJKCKNRM-QFIPXVFZSA-N 2 0 348.494 3.597 20 30 EHEDRP CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(C#N)cc1 ZINC000278276730 1029909953 /nfs/dbraw/zinc/90/99/53/1029909953.db2.gz PMXUFDXEFJPHDU-QFIPXVFZSA-N 2 0 349.478 3.631 20 30 EHEDRP N#CCCCOc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000595001090 1033626055 /nfs/dbraw/zinc/62/60/55/1033626055.db2.gz QJPQHRPTZJPGNY-UHFFFAOYSA-N 2 0 341.499 3.581 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000603856934 1033983272 /nfs/dbraw/zinc/98/32/72/1033983272.db2.gz GARQHVUCIPDFOV-UHFFFAOYSA-N 2 0 338.499 3.755 20 30 EHEDRP CCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000595886376 1034019848 /nfs/dbraw/zinc/01/98/48/1034019848.db2.gz WMVWXLCBVZSVNB-UHFFFAOYSA-N 2 0 325.378 3.541 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000414159214 1035813652 /nfs/dbraw/zinc/81/36/52/1035813652.db2.gz AZWMYTYGXZKUCW-XUVXKRRUSA-N 2 0 325.500 3.959 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000113327990 1037782157 /nfs/dbraw/zinc/78/21/57/1037782157.db2.gz KDYTXCVDVJCCDV-UHFFFAOYSA-N 2 0 349.409 3.703 20 30 EHEDRP CCC[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000540360546 1037865769 /nfs/dbraw/zinc/86/57/69/1037865769.db2.gz YUTYSVLTUHPVPA-UHFFFAOYSA-N 2 0 341.499 3.712 20 30 EHEDRP C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000574004944 1037969684 /nfs/dbraw/zinc/96/96/84/1037969684.db2.gz ANVUIVLQYYUQFS-AWEZNQCLSA-N 2 0 339.405 3.789 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000574003900 1037970046 /nfs/dbraw/zinc/97/00/46/1037970046.db2.gz HUQHOLXARPUEMM-NJEKYYFSSA-N 2 0 337.511 3.997 20 30 EHEDRP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513527 1038431694 /nfs/dbraw/zinc/43/16/94/1038431694.db2.gz NQIGAHWOUJWCDN-BZSNNMDCSA-N 2 0 329.488 3.608 20 30 EHEDRP C=CCN1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302178 1039642488 /nfs/dbraw/zinc/64/24/88/1039642488.db2.gz CDVGNWBEQLRCLV-LJQANCHMSA-N 2 0 329.444 3.602 20 30 EHEDRP C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000175012775 1126864585 /nfs/dbraw/zinc/86/45/85/1126864585.db2.gz VYPINMFSUFNEJC-ROUUACIJSA-N 2 0 332.488 3.613 20 30 EHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cc(C#N)cs1 ZINC000153585835 1128474321 /nfs/dbraw/zinc/47/43/21/1128474321.db2.gz XFSXTWYARVFEQV-HOTGVXAUSA-N 2 0 339.508 3.866 20 30 EHEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000282125563 1121846751 /nfs/dbraw/zinc/84/67/51/1121846751.db2.gz BBTSAWYMTNMOFU-FSHZEEBSSA-N 2 0 337.511 3.817 20 30 EHEDRP CO[C@H]1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931539 1131910529 /nfs/dbraw/zinc/91/05/29/1131910529.db2.gz UZLMMZUQVPPLPE-TUFLPTIASA-N 2 0 341.499 3.588 20 30 EHEDRP CCSC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173300104 1132032299 /nfs/dbraw/zinc/03/22/99/1132032299.db2.gz YOIUROITMMKTKW-SNRMKQJTSA-N 2 0 331.529 3.772 20 30 EHEDRP CCCCCCCC[C@@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001173310778 1132037685 /nfs/dbraw/zinc/03/76/85/1132037685.db2.gz ZBLTVPSVPABSPD-MSOLQXFVSA-N 2 0 327.557 3.739 20 30 EHEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254013 /nfs/dbraw/zinc/25/40/13/1135254013.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 2 0 345.490 3.699 20 30 EHEDRP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196937397 1135631235 /nfs/dbraw/zinc/63/12/35/1135631235.db2.gz YSSNAHSNJYZOKS-OAQYLSRUSA-N 2 0 325.500 3.953 20 30 EHEDRP CCCCCCCCC[N@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201846909 1136070587 /nfs/dbraw/zinc/07/05/87/1136070587.db2.gz PDHXQPRKNRGHMO-RTWAWAEBSA-N 2 0 346.563 3.924 20 30 EHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171194866 1137301526 /nfs/dbraw/zinc/30/15/26/1137301526.db2.gz MYVFCDRCXNQHPI-KRWDZBQOSA-N 2 0 327.516 3.979 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001171195341 1137301552 /nfs/dbraw/zinc/30/15/52/1137301552.db2.gz RRVSUJLBXBAMNP-QGZVFWFLSA-N 2 0 327.516 3.837 20 30 EHEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000865716904 1137306107 /nfs/dbraw/zinc/30/61/07/1137306107.db2.gz HORBIXBQWVPVKJ-UHFFFAOYSA-N 2 0 325.500 3.842 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716731495 1137488705 /nfs/dbraw/zinc/48/87/05/1137488705.db2.gz KGIQSOFWFOFJMK-BDTNDASRSA-N 2 0 331.463 3.701 20 30 EHEDRP CC(C)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC[NH+](C)CC1 ZINC000877767455 1137689028 /nfs/dbraw/zinc/68/90/28/1137689028.db2.gz KAYDFFSOSILURS-SFHVURJKSA-N 2 0 343.515 3.777 20 30 EHEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(Cl)ccc1OCC#N ZINC000880516941 1137780393 /nfs/dbraw/zinc/78/03/93/1137780393.db2.gz FHRWCOFBVIPCQG-UHFFFAOYSA-N 2 0 349.906 3.940 20 30 EHEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000067120609 1138079766 /nfs/dbraw/zinc/07/97/66/1138079766.db2.gz DDPCTDMMCJAXOA-LJQANCHMSA-N 2 0 342.531 3.638 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185781992 1140169014 /nfs/dbraw/zinc/16/90/14/1140169014.db2.gz UAKPLVYKFXQPSA-MOPGFXCFSA-N 2 0 329.488 3.579 20 30 EHEDRP C[C@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271619234 1141407844 /nfs/dbraw/zinc/40/78/44/1141407844.db2.gz CNTDAVWLDHYERW-IRXDYDNUSA-N 2 0 332.451 3.821 20 30 EHEDRP N#Cc1ccc(CC[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001208927472 1015610778 /nfs/dbraw/zinc/61/07/78/1015610778.db2.gz KKFNTRLSIVHOHB-UHFFFAOYSA-N 2 0 345.490 3.699 20 30 EHEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000449121329 1032211845 /nfs/dbraw/zinc/21/18/45/1032211845.db2.gz HIBYFRJGIYRXHF-MWXLCCTBSA-N 2 0 325.500 3.613 20 30 EHEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000449305657 1032425621 /nfs/dbraw/zinc/42/56/21/1032425621.db2.gz TVIIYCFAOOHRRA-IBGZPJMESA-N 2 0 347.506 3.786 20 30 EHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000614403151 1018979243 /nfs/dbraw/zinc/97/92/43/1018979243.db2.gz HKLQEWPEEPZDBG-UHFFFAOYSA-N 2 0 325.500 3.955 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000160473378 1019198454 /nfs/dbraw/zinc/19/84/54/1019198454.db2.gz WEAAIFIDWAPSSG-QGZVFWFLSA-N 2 0 326.484 3.756 20 30 EHEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000602606741 1033024083 /nfs/dbraw/zinc/02/40/83/1033024083.db2.gz GLHQOEOPPNCELW-BVOGOJNSSA-N 2 0 325.500 3.817 20 30 EHEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810026 1023651075 /nfs/dbraw/zinc/65/10/75/1023651075.db2.gz WGXGKHIZKAOEAR-RXVVDRJESA-N 2 0 326.484 3.700 20 30 EHEDRP CCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000442827844 1025514092 /nfs/dbraw/zinc/51/40/92/1025514092.db2.gz KVHCPVAOWCCXLT-VQTJNVASSA-N 2 0 325.500 3.961 20 30 EHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000424294255 1028935425 /nfs/dbraw/zinc/93/54/25/1028935425.db2.gz KCKZIJWJUUFMTK-HAMDTZRPSA-N 2 0 328.500 3.610 20 30 EHEDRP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595058200 1033637462 /nfs/dbraw/zinc/63/74/62/1033637462.db2.gz ZGVVYIJFPWPKQM-XMSQKQJNSA-N 2 0 333.479 3.601 20 30 EHEDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372420 1033891506 /nfs/dbraw/zinc/89/15/06/1033891506.db2.gz JLUKGHSGEAKPQM-PGRDOPGGSA-N 2 0 333.479 3.867 20 30 EHEDRP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1C#N ZINC000443986865 1036230546 /nfs/dbraw/zinc/23/05/46/1036230546.db2.gz GEIFNFMLFKYVHD-OAQYLSRUSA-N 2 0 333.479 3.521 20 30 EHEDRP CC(C)(C#N)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000539570069 1036930125 /nfs/dbraw/zinc/93/01/25/1036930125.db2.gz LCZSAPBAMQDWLM-OAQYLSRUSA-N 2 0 325.500 3.914 20 30 EHEDRP C=CCN1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302177 1039643460 /nfs/dbraw/zinc/64/34/60/1039643460.db2.gz CDVGNWBEQLRCLV-IBGZPJMESA-N 2 0 329.444 3.602 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)CC(C)(C)C#N)CC2)cc1 ZINC000924857440 1040817672 /nfs/dbraw/zinc/81/76/72/1040817672.db2.gz VAHNZOITVLAXDK-QGZVFWFLSA-N 2 0 343.515 3.825 20 30 EHEDRP C=CC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380311 1042093403 /nfs/dbraw/zinc/09/34/03/1042093403.db2.gz FIUPNWIBQJMDOI-WOJBJXKFSA-N 2 0 332.532 3.579 20 30 EHEDRP C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000282429452 1129790968 /nfs/dbraw/zinc/79/09/68/1129790968.db2.gz TWLOFCMCBVDPGU-AOCRQIFASA-N 2 0 329.488 3.608 20 30 EHEDRP C=CC[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](CC=C)C3)c2)C1 ZINC000625701029 1129986103 /nfs/dbraw/zinc/98/61/03/1129986103.db2.gz GKONBKQIYJKMOH-KDURUIRLSA-N 2 0 325.500 3.878 20 30 EHEDRP CC(C)OCC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172445594 1131744551 /nfs/dbraw/zinc/74/45/51/1131744551.db2.gz SDSOQEJMMDZQCA-YYWHXJBOSA-N 2 0 343.515 3.834 20 30 EHEDRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1 ZINC001173108143 1131969294 /nfs/dbraw/zinc/96/92/94/1131969294.db2.gz YLQURGFJJVWIPY-UHFFFAOYSA-N 2 0 339.483 3.904 20 30 EHEDRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4CCC(C)(C#N)CC4)C[C@@H]3C2)cc1 ZINC001173594680 1132099768 /nfs/dbraw/zinc/09/97/68/1132099768.db2.gz DJCKMJYOPSNENH-PHZLKFDYSA-N 2 0 337.511 3.831 20 30 EHEDRP COc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1C#N ZINC000775367473 1134672149 /nfs/dbraw/zinc/67/21/49/1134672149.db2.gz VMYHFUSNJDZWKU-UHFFFAOYSA-N 2 0 329.488 3.701 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817919869 1136846333 /nfs/dbraw/zinc/84/63/33/1136846333.db2.gz WBIPNMKUMRJQOJ-CWJKEVGVSA-N 2 0 341.499 3.768 20 30 EHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCOc2cccc(C#N)c2)cc1 ZINC000859214616 1137008370 /nfs/dbraw/zinc/00/83/70/1137008370.db2.gz LKHKHVKONOWCHI-UHFFFAOYSA-N 2 0 337.467 3.521 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172308279 1137545672 /nfs/dbraw/zinc/54/56/72/1137545672.db2.gz JMHVRUWXGIOQGA-WIYYLYMNSA-N 2 0 337.511 3.900 20 30 EHEDRP CC(C)(CCC#N)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000174280500 1139411256 /nfs/dbraw/zinc/41/12/56/1139411256.db2.gz ULMGURDGAAPEJJ-UHFFFAOYSA-N 2 0 342.531 3.508 20 30 EHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682019 1139924386 /nfs/dbraw/zinc/92/43/86/1139924386.db2.gz UEZPAELBUACGMK-GHTZIAJQSA-N 2 0 333.479 3.773 20 30 EHEDRP CC(C)C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000267416947 1140788064 /nfs/dbraw/zinc/78/80/64/1140788064.db2.gz JNWMNCGHERPUEP-WMZOPIPTSA-N 2 0 339.487 3.574 20 30 EHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000269391780 1141102790 /nfs/dbraw/zinc/10/27/90/1141102790.db2.gz CSQWORSAHSBUFR-UHFFFAOYSA-N 2 0 343.471 3.761 20 30 EHEDRP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000271069857 1141303315 /nfs/dbraw/zinc/30/33/15/1141303315.db2.gz LAIXEVLQXQJPGN-PELRDEGISA-N 2 0 325.500 3.712 20 30 EHEDRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000311549322 1016823500 /nfs/dbraw/zinc/82/35/00/1016823500.db2.gz VTHRPZLPPVFUBO-HXUWFJFHSA-N 2 0 349.478 3.569 20 30 EHEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000602019159 1032593210 /nfs/dbraw/zinc/59/32/10/1032593210.db2.gz CVUXPSUYVNUMRQ-SCCNAQOGSA-N 2 0 325.500 3.758 20 30 EHEDRP [NH2+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cc(F)ccc1F ZINC000262298132 1029809941 /nfs/dbraw/zinc/80/99/41/1029809941.db2.gz PLNZCELZJBTJKE-SFHVURJKSA-N 2 0 344.409 3.529 20 30 EHEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000446886611 1029848312 /nfs/dbraw/zinc/84/83/12/1029848312.db2.gz HNXNIOZPULMRQE-UHFFFAOYSA-N 2 0 334.891 3.869 20 30 EHEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453354112 1030147685 /nfs/dbraw/zinc/14/76/85/1030147685.db2.gz NAYITEZMARZVGI-VFUGHAIPSA-N 2 0 328.500 3.753 20 30 EHEDRP C[N@H+](CCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC1 ZINC000453419378 1030270523 /nfs/dbraw/zinc/27/05/23/1030270523.db2.gz YZGYNZUGRMIBSX-UHFFFAOYSA-N 2 0 325.500 3.855 20 30 EHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152480044 1036879261 /nfs/dbraw/zinc/87/92/61/1036879261.db2.gz AVOYUVHPYJMSSH-HZPDHXFCSA-N 2 0 334.891 3.953 20 30 EHEDRP CC(C)(C#N)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000539570062 1036928954 /nfs/dbraw/zinc/92/89/54/1036928954.db2.gz LCZSAPBAMQDWLM-NRFANRHFSA-N 2 0 325.500 3.914 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)cc1 ZINC001167701580 1037068956 /nfs/dbraw/zinc/06/89/56/1037068956.db2.gz PWISJLJKUDLEPH-HXUWFJFHSA-N 2 0 332.451 3.807 20 30 EHEDRP C=CCc1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc(OC)c1O ZINC000506851501 1038110940 /nfs/dbraw/zinc/11/09/40/1038110940.db2.gz ONHABLABMBNDOW-UHFFFAOYSA-N 2 0 346.515 3.683 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000236688971 1039283794 /nfs/dbraw/zinc/28/37/94/1039283794.db2.gz MNSWAJDCYUDKRV-UHFFFAOYSA-N 2 0 348.490 3.974 20 30 EHEDRP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)nc1 ZINC000512623262 1040291956 /nfs/dbraw/zinc/29/19/56/1040291956.db2.gz DVOQZJHBNZENAV-OAHLLOKOSA-N 2 0 338.430 3.720 20 30 EHEDRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919127 1040938030 /nfs/dbraw/zinc/93/80/30/1040938030.db2.gz HABLAYZWTIPTRK-GOSISDBHSA-N 2 0 337.467 3.762 20 30 EHEDRP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982332 /nfs/dbraw/zinc/98/23/32/1128982332.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 2 0 331.463 3.512 20 30 EHEDRP CC[NH+](CC)C1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001173107555 1131969113 /nfs/dbraw/zinc/96/91/13/1131969113.db2.gz WXIHXGPMSZWSKR-UHFFFAOYSA-N 2 0 338.499 3.840 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173601429 1132101752 /nfs/dbraw/zinc/10/17/52/1132101752.db2.gz SYJNKYSXGUYCJC-QINBWVTOSA-N 2 0 337.511 3.913 20 30 EHEDRP C=CC[C@H](CC)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001181266638 1133473805 /nfs/dbraw/zinc/47/38/05/1133473805.db2.gz MARKDYSKFMLYNE-IBGZPJMESA-N 2 0 345.487 3.794 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000817949971 1136850921 /nfs/dbraw/zinc/85/09/21/1136850921.db2.gz VBUXHLVCIJWHIV-UHFFFAOYSA-N 2 0 333.479 3.682 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000794827139 1137267773 /nfs/dbraw/zinc/26/77/73/1137267773.db2.gz ICLDHUZTTMJBHL-PZJWPPBQSA-N 2 0 348.490 3.871 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171179319 1137290693 /nfs/dbraw/zinc/29/06/93/1137290693.db2.gz RINGHIFXGGNKOR-XMSQKQJNSA-N 2 0 333.479 3.601 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001171228960 1137353735 /nfs/dbraw/zinc/35/37/35/1137353735.db2.gz JYSSQONMTHIZHE-QMMLZNLJSA-N 2 0 325.500 3.828 20 30 EHEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883343322 1137855979 /nfs/dbraw/zinc/85/59/79/1137855979.db2.gz IQTCRIRQNONZAH-RTBURBONSA-N 2 0 330.516 3.594 20 30 EHEDRP C[NH+](C)CCCCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000266995352 1140748356 /nfs/dbraw/zinc/74/83/56/1140748356.db2.gz XMQMMKUYEQVGAZ-UHFFFAOYSA-N 2 0 326.444 3.547 20 30 EHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000269445033 1141110005 /nfs/dbraw/zinc/11/00/05/1141110005.db2.gz UPQGFBBUYUXFSI-UHFFFAOYSA-N 2 0 325.431 3.827 20 30 EHEDRP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000544858048 1015984007 /nfs/dbraw/zinc/98/40/07/1015984007.db2.gz PWRHROSILVGJPR-UHFFFAOYSA-N 2 0 342.446 3.737 20 30 EHEDRP CCC1(C[NH2+]Cc2cccc(C#N)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000602575595 1032996918 /nfs/dbraw/zinc/99/69/18/1032996918.db2.gz GCESJXSRGAJMPK-UHFFFAOYSA-N 2 0 348.494 3.735 20 30 EHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000657874637 1033105899 /nfs/dbraw/zinc/10/58/99/1033105899.db2.gz WNOCFCYCHJZHKG-UNMCSNQZSA-N 2 0 342.527 3.868 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610829905 1023780240 /nfs/dbraw/zinc/78/02/40/1023780240.db2.gz RGQDWAYZWOVDRO-SJORKVTESA-N 2 0 337.467 3.910 20 30 EHEDRP C[C@@H]1CC(NC(=[NH2+])c2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012539 1025121374 /nfs/dbraw/zinc/12/13/74/1025121374.db2.gz BWJHNZNWUIQJAU-IAGOWNOFSA-N 2 0 346.478 3.705 20 30 EHEDRP C=CCN1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453101704 1027364597 /nfs/dbraw/zinc/36/45/97/1027364597.db2.gz OPZNGZFPHRKWCT-WOJBJXKFSA-N 2 0 348.918 3.670 20 30 EHEDRP CCN(Cc1ccccc1CN(CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000246108446 1027743714 /nfs/dbraw/zinc/74/37/14/1027743714.db2.gz IYUCPDSYOOEOQH-QZTJIDSGSA-N 2 0 326.488 3.650 20 30 EHEDRP CC[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278220730 1029723142 /nfs/dbraw/zinc/72/31/42/1029723142.db2.gz JCBVLGJEQMBYEE-JOCHJYFZSA-N 2 0 349.478 3.631 20 30 EHEDRP C=CCC[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000273590329 1029826373 /nfs/dbraw/zinc/82/63/73/1029826373.db2.gz OXZWQVYYPLXGGI-GOSISDBHSA-N 2 0 346.515 3.621 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000061052420 1033512206 /nfs/dbraw/zinc/51/22/06/1033512206.db2.gz KWFCPRZDSSJCSJ-UHFFFAOYSA-N 2 0 337.467 3.569 20 30 EHEDRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000595893193 1034023606 /nfs/dbraw/zinc/02/36/06/1034023606.db2.gz NDOTWNOEMGYWGC-ZDUSSCGKSA-N 2 0 337.389 3.541 20 30 EHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000589350829 1036370779 /nfs/dbraw/zinc/37/07/79/1036370779.db2.gz HOIYFGUYJHHAAV-QHAWAJNXSA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513508 1038431957 /nfs/dbraw/zinc/43/19/57/1038431957.db2.gz NQIGAHWOUJWCDN-KSZLIROESA-N 2 0 329.488 3.608 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522943 1039197230 /nfs/dbraw/zinc/19/72/30/1039197230.db2.gz WBNNYUYDYFHUKA-LXHROKJGSA-N 2 0 337.511 3.959 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000236699450 1041305335 /nfs/dbraw/zinc/30/53/35/1041305335.db2.gz JCMRYYOCBRAHAQ-SFHVURJKSA-N 2 0 329.488 3.579 20 30 EHEDRP CSc1ccc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)cc1C#N ZINC000925771994 1042828902 /nfs/dbraw/zinc/82/89/02/1042828902.db2.gz FWANSHCUONGGDP-MOPGFXCFSA-N 2 0 337.492 3.863 20 30 EHEDRP C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OC ZINC000175012794 1126864405 /nfs/dbraw/zinc/86/44/05/1126864405.db2.gz VYPINMFSUFNEJC-QZTJIDSGSA-N 2 0 332.488 3.613 20 30 EHEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000367905185 1127412613 /nfs/dbraw/zinc/41/26/13/1127412613.db2.gz VYSZDTSTATUNBH-SLFFLAALSA-N 2 0 325.500 3.817 20 30 EHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057843679 1128715923 /nfs/dbraw/zinc/71/59/23/1128715923.db2.gz DPDRUKDTCLLEFD-UHFFFAOYSA-N 2 0 333.479 3.902 20 30 EHEDRP C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+]1CCCCC1 ZINC000237550678 1123767343 /nfs/dbraw/zinc/76/73/43/1123767343.db2.gz LVKPBFDXIUCIFK-GOSISDBHSA-N 2 0 329.488 3.581 20 30 EHEDRP CN(CCC#N)c1ccc(C[NH2+]CCCCCCC[NH+](C)C)cc1 ZINC000068478684 1123953336 /nfs/dbraw/zinc/95/33/36/1123953336.db2.gz MZBZJPMSUMCNOX-UHFFFAOYSA-N 2 0 330.520 3.638 20 30 EHEDRP COc1ccccc1C[N@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486261 1131739904 /nfs/dbraw/zinc/73/99/04/1131739904.db2.gz COLUDBDRSITXLO-BHIYHBOVSA-N 2 0 329.488 3.849 20 30 EHEDRP CC(C)OCC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446072 1131744723 /nfs/dbraw/zinc/74/47/23/1131744723.db2.gz VWMMJPYPTMPMGF-DUXKGJEZSA-N 2 0 343.515 3.834 20 30 EHEDRP C=CC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccncc1 ZINC000817893976 1136844266 /nfs/dbraw/zinc/84/42/66/1136844266.db2.gz JZEWEFWQYPECFN-ZJOUEHCJSA-N 2 0 335.451 3.544 20 30 EHEDRP Cc1cc(C#N)cc(Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000865549096 1137294047 /nfs/dbraw/zinc/29/40/47/1137294047.db2.gz QBNKCZKMBWZYLV-UHFFFAOYSA-N 2 0 349.482 3.783 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199170 1137311780 /nfs/dbraw/zinc/31/17/80/1137311780.db2.gz VQGPDFGQKABDBB-HSQYWUDLSA-N 2 0 348.494 3.656 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001172300224 1137549465 /nfs/dbraw/zinc/54/94/65/1137549465.db2.gz SFIMQWWZZSQBDM-KRWDZBQOSA-N 2 0 325.500 3.733 20 30 EHEDRP CCC1([NH+]2CCCCC2)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000880255508 1137772258 /nfs/dbraw/zinc/77/22/58/1137772258.db2.gz NAUULOPXQFPAAH-UHFFFAOYSA-N 2 0 347.547 3.817 20 30 EHEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883343321 1137856035 /nfs/dbraw/zinc/85/60/35/1137856035.db2.gz IQTCRIRQNONZAH-RBUKOAKNSA-N 2 0 330.516 3.594 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185781948 1140169464 /nfs/dbraw/zinc/16/94/64/1140169464.db2.gz UAKPLVYKFXQPSA-OALUTQOASA-N 2 0 329.488 3.579 20 30 EHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000269385860 1141102444 /nfs/dbraw/zinc/10/24/44/1141102444.db2.gz AXSHSZJLYRATFV-UHFFFAOYSA-N 2 0 325.431 3.827 20 30 EHEDRP C=CCOc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414816024 1017215686 /nfs/dbraw/zinc/21/56/86/1017215686.db2.gz YXEMZBHLOHAPLI-HNNXBMFYSA-N 2 0 326.440 3.570 20 30 EHEDRP N#Cc1csc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000177699012 1018535778 /nfs/dbraw/zinc/53/57/78/1018535778.db2.gz MCBWXQKRMRHXKA-YQQQUEKLSA-N 2 0 337.492 3.905 20 30 EHEDRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513502199 1019759189 /nfs/dbraw/zinc/75/91/89/1019759189.db2.gz YCAZERYGCMSQHK-GCJKJVERSA-N 2 0 333.479 3.949 20 30 EHEDRP C[C@H](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000602574379 1032984266 /nfs/dbraw/zinc/98/42/66/1032984266.db2.gz ZONQYPGTLCYZKA-RBUKOAKNSA-N 2 0 343.515 3.586 20 30 EHEDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000108428760 1023125375 /nfs/dbraw/zinc/12/53/75/1023125375.db2.gz JUNRFZYUMGQIBI-OAQYLSRUSA-N 2 0 349.478 3.569 20 30 EHEDRP C#CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183101975 1024167746 /nfs/dbraw/zinc/16/77/46/1024167746.db2.gz YJRSDJFCHDHQJI-UYAOXDASSA-N 2 0 340.511 3.831 20 30 EHEDRP CCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000442827842 1025513077 /nfs/dbraw/zinc/51/30/77/1025513077.db2.gz KVHCPVAOWCCXLT-UXHICEINSA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000467447580 1025638243 /nfs/dbraw/zinc/63/82/43/1025638243.db2.gz ASTJCDMMHLWZGF-LAUBAEHRSA-N 2 0 325.500 3.733 20 30 EHEDRP C[N@H+](CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000594915713 1033545212 /nfs/dbraw/zinc/54/52/12/1033545212.db2.gz WFDGGTGJFMRKRV-UHFFFAOYSA-N 2 0 325.500 3.986 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594961364 1033600721 /nfs/dbraw/zinc/60/07/21/1033600721.db2.gz XVJBEIMUBAUGEP-LJQANCHMSA-N 2 0 325.500 3.699 20 30 EHEDRP CC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658515 1034092108 /nfs/dbraw/zinc/09/21/08/1034092108.db2.gz ADSARYDDOZVHEG-UHFFFAOYSA-N 2 0 343.515 3.671 20 30 EHEDRP Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1F ZINC000443976742 1036142135 /nfs/dbraw/zinc/14/21/35/1036142135.db2.gz FTVPFYCXOVUECN-UHFFFAOYSA-N 2 0 334.398 3.790 20 30 EHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000589350827 1036369615 /nfs/dbraw/zinc/36/96/15/1036369615.db2.gz HOIYFGUYJHHAAV-NJDAHSKKSA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006829 1036606253 /nfs/dbraw/zinc/60/62/53/1036606253.db2.gz YYHYOZLYZZDPCJ-GCJKJVERSA-N 2 0 333.479 3.753 20 30 EHEDRP N#Cc1cccc(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443608296 1036690390 /nfs/dbraw/zinc/69/03/90/1036690390.db2.gz SJTWNFXUYRZENB-UHFFFAOYSA-N 2 0 341.499 3.525 20 30 EHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152479918 1036876967 /nfs/dbraw/zinc/87/69/67/1036876967.db2.gz AVOYUVHPYJMSSH-JKSUJKDBSA-N 2 0 334.891 3.953 20 30 EHEDRP C=CCC1([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551115 1039580186 /nfs/dbraw/zinc/58/01/86/1039580186.db2.gz HYDXNZRNSGDRAX-AZUAARDMSA-N 2 0 328.500 3.612 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512642389 1040382313 /nfs/dbraw/zinc/38/23/13/1040382313.db2.gz PEQZBZWGCAXEIH-DNVJHFABSA-N 2 0 345.490 3.949 20 30 EHEDRP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000311120751 1128982158 /nfs/dbraw/zinc/98/21/58/1128982158.db2.gz HBIDSQLNGJEBEX-FGZHOGPDSA-N 2 0 331.463 3.512 20 30 EHEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccco1 ZINC000658071147 1130120378 /nfs/dbraw/zinc/12/03/78/1130120378.db2.gz VESOBCPHGYXBSG-IBGZPJMESA-N 2 0 332.488 3.768 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000733324709 1131025608 /nfs/dbraw/zinc/02/56/08/1131025608.db2.gz VIKKANVCFZHYTM-WOJBJXKFSA-N 2 0 342.527 3.936 20 30 EHEDRP CC(C)OCC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446073 1131744841 /nfs/dbraw/zinc/74/48/41/1131744841.db2.gz VWMMJPYPTMPMGF-YYWHXJBOSA-N 2 0 343.515 3.834 20 30 EHEDRP CC[NH+](CC)C1CCC([NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC001173108087 1131969146 /nfs/dbraw/zinc/96/91/46/1131969146.db2.gz WUMIEQFWBJQPRR-UHFFFAOYSA-N 2 0 329.488 3.570 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC001170377197 1134766072 /nfs/dbraw/zinc/76/60/72/1134766072.db2.gz XGGJJHNSUUQAPT-UHFFFAOYSA-N 2 0 337.511 3.951 20 30 EHEDRP CCCCCCCC[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201813598 1136064863 /nfs/dbraw/zinc/06/48/63/1136064863.db2.gz GWYIKTKMWYUZED-UHFFFAOYSA-N 2 0 332.536 3.698 20 30 EHEDRP C=CCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856607175 1136799058 /nfs/dbraw/zinc/79/90/58/1136799058.db2.gz XLWJDZJSDNERBQ-HXUWFJFHSA-N 2 0 331.504 3.731 20 30 EHEDRP C=CC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccncc1 ZINC000817893974 1136843848 /nfs/dbraw/zinc/84/38/48/1136843848.db2.gz JZEWEFWQYPECFN-IRFCIJBXSA-N 2 0 335.451 3.544 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171179317 1137290726 /nfs/dbraw/zinc/29/07/26/1137290726.db2.gz RINGHIFXGGNKOR-GCJKJVERSA-N 2 0 333.479 3.601 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222348 1137348854 /nfs/dbraw/zinc/34/88/54/1137348854.db2.gz GBIMPJKYVJLKKQ-WMZHIEFXSA-N 2 0 347.506 3.943 20 30 EHEDRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1(C)C ZINC001171624107 1137501245 /nfs/dbraw/zinc/50/12/45/1137501245.db2.gz MXSGSPORJPECHW-UHFFFAOYSA-N 2 0 339.483 3.902 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172299585 1137549022 /nfs/dbraw/zinc/54/90/22/1137549022.db2.gz LTRODWMXTTUTPW-QGZVFWFLSA-N 2 0 325.500 3.876 20 30 EHEDRP N#CCOc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000269836324 1141149126 /nfs/dbraw/zinc/14/91/26/1141149126.db2.gz TZTCCTWPALJEGL-UHFFFAOYSA-N 2 0 341.499 3.677 20 30 EHEDRP C[C@@H]([NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271619233 1141407913 /nfs/dbraw/zinc/40/79/13/1141407913.db2.gz CNTDAVWLDHYERW-IAGOWNOFSA-N 2 0 332.451 3.821 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449302057 1032421279 /nfs/dbraw/zinc/42/12/79/1032421279.db2.gz UDOXOXYPTOCKNK-DWLFOUALSA-N 2 0 342.527 3.653 20 30 EHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC[C@@H](C#N)CCC#N)cc2)C1 ZINC000549193831 1017591412 /nfs/dbraw/zinc/59/14/12/1017591412.db2.gz ASNUWEFUCZELLX-DBXWQHBBSA-N 2 0 338.499 3.698 20 30 EHEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000610972183 1023918786 /nfs/dbraw/zinc/91/87/86/1023918786.db2.gz YMLKKYYNDLALKS-OAQYLSRUSA-N 2 0 337.467 3.762 20 30 EHEDRP C#CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183101954 1024167704 /nfs/dbraw/zinc/16/77/04/1024167704.db2.gz YJRSDJFCHDHQJI-AZUAARDMSA-N 2 0 340.511 3.831 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895378081 1024428091 /nfs/dbraw/zinc/42/80/91/1024428091.db2.gz PNHPKKJIBGIDTH-HLIPFELVSA-N 2 0 329.488 3.530 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000280953356 1024482055 /nfs/dbraw/zinc/48/20/55/1024482055.db2.gz XSSVNNGNAGAEPE-YXIAPDDASA-N 2 0 340.511 3.753 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000895685664 1024736781 /nfs/dbraw/zinc/73/67/81/1024736781.db2.gz MSYZZCNNVHFVQD-SFHVURJKSA-N 2 0 329.488 3.675 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000611586677 1025900122 /nfs/dbraw/zinc/90/01/22/1025900122.db2.gz GTUNYTZDEZURHI-YTFSRNRJSA-N 2 0 345.490 3.949 20 30 EHEDRP N#CCSCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247942628 1028831055 /nfs/dbraw/zinc/83/10/55/1028831055.db2.gz DEEXAXGBDXSLFF-WOJBJXKFSA-N 2 0 343.540 3.620 20 30 EHEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594920907 1033547691 /nfs/dbraw/zinc/54/76/91/1033547691.db2.gz BUJORCAHKJSQKK-GOSISDBHSA-N 2 0 325.500 3.843 20 30 EHEDRP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595001840 1033627335 /nfs/dbraw/zinc/62/73/35/1033627335.db2.gz ZZLOXTPCUKOBSU-JOCHJYFZSA-N 2 0 345.490 3.950 20 30 EHEDRP C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000595091609 1033697802 /nfs/dbraw/zinc/69/78/02/1033697802.db2.gz SAYVEAIEMAGBPG-KRWDZBQOSA-N 2 0 329.488 3.752 20 30 EHEDRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000365496130 1035101975 /nfs/dbraw/zinc/10/19/75/1035101975.db2.gz UANUYCUQQZKKHX-OAQYLSRUSA-N 2 0 334.467 3.911 20 30 EHEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000590643874 1036987306 /nfs/dbraw/zinc/98/73/06/1036987306.db2.gz HIIYCAWNMCEBEP-QNGMFEMESA-N 2 0 325.500 3.961 20 30 EHEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000590643872 1036989087 /nfs/dbraw/zinc/98/90/87/1036989087.db2.gz HIIYCAWNMCEBEP-MWXLCCTBSA-N 2 0 325.500 3.961 20 30 EHEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522942 1039198195 /nfs/dbraw/zinc/19/81/95/1039198195.db2.gz WBNNYUYDYFHUKA-BDHVOXNPSA-N 2 0 337.511 3.959 20 30 EHEDRP CCC1(C[NH2+]C[C@@H](C#N)CCC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000554801507 1039747401 /nfs/dbraw/zinc/74/74/01/1039747401.db2.gz GNYZYCOFFCWXKV-HXUWFJFHSA-N 2 0 338.499 3.712 20 30 EHEDRP CC(C)(C#N)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000614159590 1040308364 /nfs/dbraw/zinc/30/83/64/1040308364.db2.gz IAWLIJYGEQTQQS-UHFFFAOYSA-N 2 0 325.500 3.796 20 30 EHEDRP Cc1cc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1C#N ZINC000486677339 1040342718 /nfs/dbraw/zinc/34/27/18/1040342718.db2.gz PIQGBFAZOWHQNH-FQEVSTJZSA-N 2 0 325.500 3.811 20 30 EHEDRP C=CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCC[NH2+]1 ZINC000662698901 1042834899 /nfs/dbraw/zinc/83/48/99/1042834899.db2.gz SWFZNBQPYUQNGW-OAQYLSRUSA-N 2 0 341.499 3.699 20 30 EHEDRP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000090107574 1043565853 /nfs/dbraw/zinc/56/58/53/1043565853.db2.gz FBQAARCGKPBKHO-GHTZIAJQSA-N 2 0 349.478 3.580 20 30 EHEDRP C=CCC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000542671815 1128467604 /nfs/dbraw/zinc/46/76/04/1128467604.db2.gz WEEFWIAQNIQMHK-HXUWFJFHSA-N 2 0 329.532 3.842 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000152992463 1125413720 /nfs/dbraw/zinc/41/37/20/1125413720.db2.gz ZYOKPPFWYXGPHX-GHTZIAJQSA-N 2 0 333.564 3.660 20 30 EHEDRP N#CCc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000543141072 1129279350 /nfs/dbraw/zinc/27/93/50/1129279350.db2.gz HANQUJHTSSOPOQ-UHFFFAOYSA-N 2 0 325.500 3.841 20 30 EHEDRP C[NH+]1CCC2(CC[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)CC1 ZINC001170395178 1134763086 /nfs/dbraw/zinc/76/30/86/1134763086.db2.gz HWLZIJDXALADRF-UHFFFAOYSA-N 2 0 337.511 3.808 20 30 EHEDRP CC[N@H+](C)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170399194 1134765474 /nfs/dbraw/zinc/76/54/74/1134765474.db2.gz ZGGASXQWYJDDGQ-UHFFFAOYSA-N 2 0 325.500 3.807 20 30 EHEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC001202365956 1136134221 /nfs/dbraw/zinc/13/42/21/1136134221.db2.gz HVHPBNWXQGOGIS-PKOBYXMFSA-N 2 0 328.500 3.994 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001171193795 1137302125 /nfs/dbraw/zinc/30/21/25/1137302125.db2.gz CDMUZFONUCPFCT-KRWDZBQOSA-N 2 0 325.500 3.876 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1 ZINC001171327064 1137420679 /nfs/dbraw/zinc/42/06/79/1137420679.db2.gz IISVWAAVJNYORZ-NRFANRHFSA-N 2 0 332.451 3.807 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1 ZINC001171398368 1137471190 /nfs/dbraw/zinc/47/11/90/1137471190.db2.gz TZTYCVBCWWSOAU-WOJBJXKFSA-N 2 0 349.478 3.867 20 30 EHEDRP C=CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976306 1137525568 /nfs/dbraw/zinc/52/55/68/1137525568.db2.gz QZTZBXHFECYGPA-SFTDATJTSA-N 2 0 341.543 3.670 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304500 1137545392 /nfs/dbraw/zinc/54/53/92/1137545392.db2.gz MKSCRZIRNDNCLD-NQSCKRDGSA-N 2 0 348.494 3.656 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C[C@H](C)O1 ZINC000266177077 1140651219 /nfs/dbraw/zinc/65/12/19/1140651219.db2.gz DYTRQWROINOAOV-HDICACEKSA-N 2 0 343.515 3.715 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000177686151 1018464634 /nfs/dbraw/zinc/46/46/34/1018464634.db2.gz BWCIVZSHADWZGS-UHFFFAOYSA-N 2 0 343.496 3.630 20 30 EHEDRP C[C@H](CCC#N)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602484531 1032914065 /nfs/dbraw/zinc/91/40/65/1032914065.db2.gz NZTFCCWFOQSEDF-LJQANCHMSA-N 2 0 325.500 3.914 20 30 EHEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483896 1032914584 /nfs/dbraw/zinc/91/45/84/1032914584.db2.gz JUCDDDSJBBZXEH-HMXCVIKNSA-N 2 0 325.500 3.913 20 30 EHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602520175 1032932087 /nfs/dbraw/zinc/93/20/87/1032932087.db2.gz JPGWVHFMONFEMQ-SFHVURJKSA-N 2 0 343.515 3.717 20 30 EHEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000449733569 1033127225 /nfs/dbraw/zinc/12/72/25/1033127225.db2.gz IOJCPPDCAQHVSI-UHFFFAOYSA-N 2 0 337.442 3.973 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594944283 1033590839 /nfs/dbraw/zinc/59/08/39/1033590839.db2.gz SNAJBLJFYYKWFS-IEBWSBKVSA-N 2 0 337.511 3.984 20 30 EHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOc3ccc(C#N)cc3)CC2)C1 ZINC000090107825 1036036884 /nfs/dbraw/zinc/03/68/84/1036036884.db2.gz JAWASXXDWFMUEC-XLIONFOSSA-N 2 0 341.499 3.570 20 30 EHEDRP Cc1ccccc1CN1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443974800 1036142044 /nfs/dbraw/zinc/14/20/44/1036142044.db2.gz WLCBVNGMGUCUGF-UHFFFAOYSA-N 2 0 333.479 3.929 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006828 1036607185 /nfs/dbraw/zinc/60/71/85/1036607185.db2.gz YYHYOZLYZZDPCJ-AVRDEDQJSA-N 2 0 333.479 3.753 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237510671 1039377205 /nfs/dbraw/zinc/37/72/05/1039377205.db2.gz RKOBLVKVOBPCBU-CEXWTWQISA-N 2 0 343.515 3.825 20 30 EHEDRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919113 1040936833 /nfs/dbraw/zinc/93/68/33/1040936833.db2.gz HABLAYZWTIPTRK-SFHVURJKSA-N 2 0 337.467 3.762 20 30 EHEDRP C=CCSc1nc2ccccc2n1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000728907229 1044431682 /nfs/dbraw/zinc/43/16/82/1044431682.db2.gz QZWIQVTXTOHQSO-UHFFFAOYSA-N 2 0 344.528 3.546 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(C[NH+](C)C)c2)c(O)c1 ZINC000914702171 1120956142 /nfs/dbraw/zinc/95/61/42/1120956142.db2.gz YEPREHBEYHIJET-JCMHNJIXSA-N 2 0 339.483 3.919 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]CC2CC[NH+](CCC)CC2)ccc1OC ZINC000236773310 1121463666 /nfs/dbraw/zinc/46/36/66/1121463666.db2.gz ZMOVJFBHTOKPJR-UHFFFAOYSA-N 2 0 346.515 3.862 20 30 EHEDRP CN(c1ccccc1C=[NH+]OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000915960172 1121993605 /nfs/dbraw/zinc/99/36/05/1121993605.db2.gz STEVNXZDQNSMDI-UHFFFAOYSA-N 2 0 337.467 3.768 20 30 EHEDRP CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000247248367 1124600109 /nfs/dbraw/zinc/60/01/09/1124600109.db2.gz UICNZNPTLOFKKG-YJBOKZPZSA-N 2 0 338.417 3.719 20 30 EHEDRP C[NH+](C/C=C\C[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000255895765 1129221222 /nfs/dbraw/zinc/22/12/22/1129221222.db2.gz DQGPUXHGPSDFHN-ARJAWSKDSA-N 2 0 344.462 3.550 20 30 EHEDRP CCSC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173300103 1132032443 /nfs/dbraw/zinc/03/24/43/1132032443.db2.gz YOIUROITMMKTKW-ATZDWAIDSA-N 2 0 331.529 3.772 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594466 1132099703 /nfs/dbraw/zinc/09/97/03/1132099703.db2.gz DTYXCFNDKRWZIX-XNGIKWSVSA-N 2 0 344.528 3.512 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173601427 1132101581 /nfs/dbraw/zinc/10/15/81/1132101581.db2.gz SYJNKYSXGUYCJC-JTVPBKEVSA-N 2 0 337.511 3.913 20 30 EHEDRP CCN(Cc1csc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001179945216 1133303417 /nfs/dbraw/zinc/30/34/17/1133303417.db2.gz FJUIHOGPTHSJFE-GOSISDBHSA-N 2 0 339.508 3.964 20 30 EHEDRP C=CCN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866260069 1137340139 /nfs/dbraw/zinc/34/01/39/1137340139.db2.gz BANRUAQOBOIDPU-QFIPXVFZSA-N 2 0 335.495 3.996 20 30 EHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000866467992 1137357242 /nfs/dbraw/zinc/35/72/42/1137357242.db2.gz WTVZKSZPNYYYQV-QGZVFWFLSA-N 2 0 329.488 3.750 20 30 EHEDRP N#C[C@H]1CCC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866469159 1137357401 /nfs/dbraw/zinc/35/74/01/1137357401.db2.gz HIZHTYROTZRSDG-SFTDATJTSA-N 2 0 325.500 3.961 20 30 EHEDRP N#Cc1cnc(Cl)c(C[NH2+]CCCCCCC[NH+]2CCCC2)c1 ZINC000877019465 1137667817 /nfs/dbraw/zinc/66/78/17/1137667817.db2.gz MTBGUXRLEKJWFE-UHFFFAOYSA-N 2 0 334.895 3.743 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337134479 1138475031 /nfs/dbraw/zinc/47/50/31/1138475031.db2.gz LTHZCLJKVRGSPN-UHFFFAOYSA-N 2 0 335.536 3.531 20 30 EHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681895 1139924281 /nfs/dbraw/zinc/92/42/81/1139924281.db2.gz JMMOFUKJOLXCPA-RXVVDRJESA-N 2 0 333.479 3.773 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181755310 1139928299 /nfs/dbraw/zinc/92/82/99/1139928299.db2.gz SUUCXEFLLIMNED-OAHLLOKOSA-N 2 0 341.430 3.640 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000185803872 1140170944 /nfs/dbraw/zinc/17/09/44/1140170944.db2.gz VWEAXBIBBQREJS-WOJBJXKFSA-N 2 0 341.499 3.579 20 30 EHEDRP CN(c1ccccc1C=[NH+]OC1CCCCC1)C1CC[NH+](C)CC1 ZINC000777460687 1140407387 /nfs/dbraw/zinc/40/73/87/1140407387.db2.gz ZXPMPORHWRRAOU-UHFFFAOYSA-N 2 0 329.488 3.900 20 30 EHEDRP C=CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000092504268 1014807953 /nfs/dbraw/zinc/80/79/53/1014807953.db2.gz UWVLDPXHEPDRMO-UHFFFAOYSA-N 2 0 349.478 3.687 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000728712077 1018361001 /nfs/dbraw/zinc/36/10/01/1018361001.db2.gz XWGYJRHGIVTSFA-QZTJIDSGSA-N 2 0 329.488 3.722 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470718 1032911108 /nfs/dbraw/zinc/91/11/08/1032911108.db2.gz FISXSLMEXMQHRX-NJDAHSKKSA-N 2 0 331.463 3.703 20 30 EHEDRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602592041 1032990861 /nfs/dbraw/zinc/99/08/61/1032990861.db2.gz GXXLHFQQDIIENC-GOSISDBHSA-N 2 0 343.515 3.715 20 30 EHEDRP N#CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000602608281 1033023782 /nfs/dbraw/zinc/02/37/82/1033023782.db2.gz LSOOBGWAHOCVQD-KPUASWNJSA-N 2 0 337.511 3.959 20 30 EHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000517741514 1022611725 /nfs/dbraw/zinc/61/17/25/1022611725.db2.gz SIJYTVPPEZLBRY-DYESRHJHSA-N 2 0 325.500 3.885 20 30 EHEDRP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000610829923 1023779784 /nfs/dbraw/zinc/77/97/84/1023779784.db2.gz SANASUFYPGJVOG-IAGOWNOFSA-N 2 0 337.467 3.910 20 30 EHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000515075145 1024996773 /nfs/dbraw/zinc/99/67/73/1024996773.db2.gz XAHNROLXZCSRDI-ZDUSSCGKSA-N 2 0 338.293 3.535 20 30 EHEDRP N#Cc1c(F)cccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000428300483 1025393271 /nfs/dbraw/zinc/39/32/71/1025393271.db2.gz MMSXKGQIJUYCHS-UHFFFAOYSA-N 2 0 329.463 3.785 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000153039415 1026918828 /nfs/dbraw/zinc/91/88/28/1026918828.db2.gz SYQJUAVLDKXBQG-WIYYLYMNSA-N 2 0 333.564 3.660 20 30 EHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000421334768 1028301408 /nfs/dbraw/zinc/30/14/08/1028301408.db2.gz QRFGZGOBBALENJ-UHFFFAOYSA-N 2 0 325.431 3.829 20 30 EHEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152209 1029362989 /nfs/dbraw/zinc/36/29/89/1029362989.db2.gz AERBCPIYSZUXNQ-WMQCIHAUSA-N 2 0 343.515 3.736 20 30 EHEDRP N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000595055484 1033632423 /nfs/dbraw/zinc/63/24/23/1033632423.db2.gz FRJVCLQXKQFKNL-WBDAEOGXSA-N 2 0 345.490 3.886 20 30 EHEDRP C[C@@H]1C[NH+](CC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000375943682 1034981252 /nfs/dbraw/zinc/98/12/52/1034981252.db2.gz WMQBDTPQMDCNOI-QZTJIDSGSA-N 2 0 335.536 3.528 20 30 EHEDRP C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610829903 1037239758 /nfs/dbraw/zinc/23/97/58/1037239758.db2.gz RGQDWAYZWOVDRO-IAGOWNOFSA-N 2 0 337.467 3.910 20 30 EHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000176955620 1037284505 /nfs/dbraw/zinc/28/45/05/1037284505.db2.gz MKPXRHZSNAFODE-UHFFFAOYSA-N 2 0 325.481 3.622 20 30 EHEDRP CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353534 1039796227 /nfs/dbraw/zinc/79/62/27/1039796227.db2.gz HSRIGYJUZDPKNW-PMACEKPBSA-N 2 0 325.500 3.770 20 30 EHEDRP CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310353536 1039797466 /nfs/dbraw/zinc/79/74/66/1039797466.db2.gz HSRIGYJUZDPKNW-VQTJNVASSA-N 2 0 325.500 3.770 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]\C[C@@H](C)[NH+]2CCCCCC2)c(O)c1 ZINC000915979072 1122004845 /nfs/dbraw/zinc/00/48/45/1122004845.db2.gz CQROVJSKEMXHQC-RRMQHPPMSA-N 2 0 331.504 3.922 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183099828 1125443608 /nfs/dbraw/zinc/44/36/08/1125443608.db2.gz XLQHXDUPSSAELN-ZHALLVOQSA-N 2 0 341.499 3.720 20 30 EHEDRP CN(C)c1ccc(C#N)cc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922506009 1129556819 /nfs/dbraw/zinc/55/68/19/1129556819.db2.gz WRZLZPXEGVEEQE-UHFFFAOYSA-N 2 0 340.515 3.511 20 30 EHEDRP CC[NH+]1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766111830 1130326147 /nfs/dbraw/zinc/32/61/47/1130326147.db2.gz GLLVBCFFQWDTKB-UHFFFAOYSA-N 2 0 325.481 3.861 20 30 EHEDRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337837 1132053348 /nfs/dbraw/zinc/05/33/48/1132053348.db2.gz UEXAOGHMMFUNOT-CKHPTIKVSA-N 2 0 325.500 3.913 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000774128672 1133619164 /nfs/dbraw/zinc/61/91/64/1133619164.db2.gz CIDFHKRHVSGFMN-KOUNCHBCSA-N 2 0 331.463 3.843 20 30 EHEDRP CC[C@@H]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197746 1134713453 /nfs/dbraw/zinc/71/34/53/1134713453.db2.gz YCOGPJJRKGELFO-XSDIEEQYSA-N 2 0 341.499 3.588 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001170375939 1134766401 /nfs/dbraw/zinc/76/64/01/1134766401.db2.gz IKYJQZPTZKEUNW-UHFFFAOYSA-N 2 0 346.478 3.608 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001171175402 1137286494 /nfs/dbraw/zinc/28/64/94/1137286494.db2.gz KFOLTLKNPYEMOS-GOSISDBHSA-N 2 0 333.479 3.875 20 30 EHEDRP C=CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976305 1137525125 /nfs/dbraw/zinc/52/51/25/1137525125.db2.gz QZTZBXHFECYGPA-RTWAWAEBSA-N 2 0 341.543 3.670 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001172290787 1137548271 /nfs/dbraw/zinc/54/82/71/1137548271.db2.gz FWTBOJJKWHTCCH-SFHVURJKSA-N 2 0 333.479 3.875 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172297289 1137548896 /nfs/dbraw/zinc/54/88/96/1137548896.db2.gz COBXTYAXQRQTOF-SFHVURJKSA-N 2 0 339.527 3.981 20 30 EHEDRP C[NH+](C/C=C/C[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000052580719 1138046032 /nfs/dbraw/zinc/04/60/32/1138046032.db2.gz DQGPUXHGPSDFHN-ONEGZZNKSA-N 2 0 344.462 3.550 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886605092 1138100938 /nfs/dbraw/zinc/10/09/38/1138100938.db2.gz JKWNIWDTYNXRAF-CUUWFGFTSA-N 2 0 340.511 3.610 20 30 EHEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513213 1139911634 /nfs/dbraw/zinc/91/16/34/1139911634.db2.gz KENUJALHNJKZMX-FHWLQOOXSA-N 2 0 343.515 3.998 20 30 EHEDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681932 1139924318 /nfs/dbraw/zinc/92/43/18/1139924318.db2.gz JMMOFUKJOLXCPA-GHTZIAJQSA-N 2 0 333.479 3.773 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185781969 1140169306 /nfs/dbraw/zinc/16/93/06/1140169306.db2.gz UAKPLVYKFXQPSA-RTBURBONSA-N 2 0 329.488 3.579 20 30 EHEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000267440832 1140791178 /nfs/dbraw/zinc/79/11/78/1140791178.db2.gz OYTXKIZYQJSSNP-OAHLLOKOSA-N 2 0 340.471 3.551 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000271083855 1141305854 /nfs/dbraw/zinc/30/58/54/1141305854.db2.gz SGNVOWLXHNIYHC-UHFFFAOYSA-N 2 0 337.511 3.997 20 30 EHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000349001750 1141620710 /nfs/dbraw/zinc/62/07/10/1141620710.db2.gz HTKXAJZJWVZCJX-UHFFFAOYSA-N 2 0 337.467 3.651 20 30 EHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819249 1015429966 /nfs/dbraw/zinc/42/99/66/1015429966.db2.gz BIDOGDPMALNOLV-PZJWPPBQSA-N 2 0 341.543 3.527 20 30 EHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000602022942 1032593649 /nfs/dbraw/zinc/59/36/49/1032593649.db2.gz ULFIYSIBWMPNDZ-QFIPXVFZSA-N 2 0 331.463 3.761 20 30 EHEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000175990910 1020588639 /nfs/dbraw/zinc/58/86/39/1020588639.db2.gz MRPYXWFWVFXGAW-GOSISDBHSA-N 2 0 343.515 3.825 20 30 EHEDRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602534612 1032966856 /nfs/dbraw/zinc/96/68/56/1032966856.db2.gz KKOQVOJOLFSPBU-GOSISDBHSA-N 2 0 343.515 3.715 20 30 EHEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439431586 1021431694 /nfs/dbraw/zinc/43/16/94/1021431694.db2.gz QSGSWTNFNAULDG-UHFFFAOYSA-N 2 0 349.906 3.534 20 30 EHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000517741515 1022612397 /nfs/dbraw/zinc/61/23/97/1022612397.db2.gz SIJYTVPPEZLBRY-LAUBAEHRSA-N 2 0 325.500 3.885 20 30 EHEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000398984915 1024747165 /nfs/dbraw/zinc/74/71/65/1024747165.db2.gz GMEYDMVDMWDAFX-YTFSRNRJSA-N 2 0 345.490 3.753 20 30 EHEDRP CC(CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982713 1033285263 /nfs/dbraw/zinc/28/52/63/1033285263.db2.gz XENCSWUWPUNHIX-UAFMIMERSA-N 2 0 330.520 3.651 20 30 EHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424323469 1028970874 /nfs/dbraw/zinc/97/08/74/1028970874.db2.gz JEFRZBUOYHQPPG-LXHROKJGSA-N 2 0 337.511 3.959 20 30 EHEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000177500176 1031548823 /nfs/dbraw/zinc/54/88/23/1031548823.db2.gz YAGUGCNMZVEONH-QZTJIDSGSA-N 2 0 335.536 3.528 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095919 1033703092 /nfs/dbraw/zinc/70/30/92/1033703092.db2.gz TUZGWDHEKQTFLO-HKBOAZHASA-N 2 0 337.511 3.961 20 30 EHEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOc3ccc(C#N)cc3)CC2)C1 ZINC000090107829 1036048766 /nfs/dbraw/zinc/04/87/66/1036048766.db2.gz JAWASXXDWFMUEC-PXNSSMCTSA-N 2 0 341.499 3.570 20 30 EHEDRP C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000610829904 1037240396 /nfs/dbraw/zinc/24/03/96/1037240396.db2.gz RGQDWAYZWOVDRO-IRXDYDNUSA-N 2 0 337.467 3.910 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000157389056 1037501499 /nfs/dbraw/zinc/50/14/99/1037501499.db2.gz QBJPUEKVEZNVFM-KRWDZBQOSA-N 2 0 346.519 3.568 20 30 EHEDRP C=CCC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000573390761 1037505437 /nfs/dbraw/zinc/50/54/37/1037505437.db2.gz DBGMCOAJAGBHLZ-NRFANRHFSA-N 2 0 328.500 3.994 20 30 EHEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000540182271 1037666864 /nfs/dbraw/zinc/66/68/64/1037666864.db2.gz SGFBDXODMMWQOL-WQUXRXDGSA-N 2 0 341.499 3.568 20 30 EHEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CCCCCC1 ZINC000092277824 1038265480 /nfs/dbraw/zinc/26/54/80/1038265480.db2.gz JRIKGVWRLDFWTC-INIZCTEOSA-N 2 0 348.560 3.587 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522941 1039196889 /nfs/dbraw/zinc/19/68/89/1039196889.db2.gz WBNNYUYDYFHUKA-AANPDWTMSA-N 2 0 337.511 3.959 20 30 EHEDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905935 1042278374 /nfs/dbraw/zinc/27/83/74/1042278374.db2.gz VCKNNMJJSYTEKW-LJQANCHMSA-N 2 0 349.478 3.569 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001167838177 1043047760 /nfs/dbraw/zinc/04/77/60/1043047760.db2.gz RFWITZHAAGMPHO-RXVVDRJESA-N 2 0 343.515 3.912 20 30 EHEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000367905184 1127412569 /nfs/dbraw/zinc/41/25/69/1127412569.db2.gz VYSZDTSTATUNBH-HSALFYBXSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000403980963 1128672798 /nfs/dbraw/zinc/67/27/98/1128672798.db2.gz ATZPCTAHLPPODR-JXFKEZNVSA-N 2 0 337.442 3.698 20 30 EHEDRP C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309763649 1128914435 /nfs/dbraw/zinc/91/44/35/1128914435.db2.gz FKZRAMJGUSZVBB-QAPCUYQASA-N 2 0 325.481 3.620 20 30 EHEDRP C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000618804293 1125207895 /nfs/dbraw/zinc/20/78/95/1125207895.db2.gz KQMRKNOUNWWKOI-OPAMFIHVSA-N 2 0 349.478 3.837 20 30 EHEDRP Cn1cncc1CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000347741952 1129675682 /nfs/dbraw/zinc/67/56/82/1129675682.db2.gz YIUPQKPLFFSKLE-UHFFFAOYSA-N 2 0 348.425 3.676 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000751148608 1129685409 /nfs/dbraw/zinc/68/54/09/1129685409.db2.gz ZMQSKXYZXODVOG-KKXNLOMOSA-N 2 0 341.499 3.864 20 30 EHEDRP CC1(C)CC(=O)C=C(Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001169953054 1132907481 /nfs/dbraw/zinc/90/74/81/1132907481.db2.gz LYZCAOIVRLOPAL-UHFFFAOYSA-N 2 0 341.499 3.542 20 30 EHEDRP C#CCOc1cccc(Cl)c1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC001180124062 1133334505 /nfs/dbraw/zinc/33/45/05/1133334505.db2.gz DLKWNFJATUSHML-UHFFFAOYSA-N 2 0 348.918 3.906 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001171178299 1137288341 /nfs/dbraw/zinc/28/83/41/1137288341.db2.gz FFFXCTZIAAHHEK-LJQANCHMSA-N 2 0 347.506 3.991 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001171196296 1137303440 /nfs/dbraw/zinc/30/34/40/1137303440.db2.gz YEHGTNFXZGVAQN-GOSISDBHSA-N 2 0 339.527 3.981 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000716730950 1137488509 /nfs/dbraw/zinc/48/85/09/1137488509.db2.gz IHSXBMMYEMPDSP-FKBYEOEOSA-N 2 0 331.463 3.701 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001172299581 1137549163 /nfs/dbraw/zinc/54/91/63/1137549163.db2.gz LTRODWMXTTUTPW-KRWDZBQOSA-N 2 0 325.500 3.876 20 30 EHEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1Cc2ccccc2O1 ZINC000883227411 1137849513 /nfs/dbraw/zinc/84/95/13/1137849513.db2.gz QCQSLNDTPLSUJF-GYDKDSOHSA-N 2 0 326.484 3.540 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154325430 1015366919 /nfs/dbraw/zinc/36/69/19/1015366919.db2.gz XCSPMEOKGHEQHM-DLBZAZTESA-N 2 0 337.467 3.910 20 30 EHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000090106779 1032572911 /nfs/dbraw/zinc/57/29/11/1032572911.db2.gz AKYJGLDESFUNEP-UWJYYQICSA-N 2 0 341.499 3.570 20 30 EHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535977 1032966552 /nfs/dbraw/zinc/96/65/52/1032966552.db2.gz UIWKWMPMPSACMO-QUCCMNQESA-N 2 0 347.547 3.720 20 30 EHEDRP C[C@@H]1CCCCN1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507653478 1021418355 /nfs/dbraw/zinc/41/83/55/1021418355.db2.gz LYEGVVMVZZOOKB-KMFTYDHNSA-N 2 0 325.500 3.855 20 30 EHEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000610972182 1023918849 /nfs/dbraw/zinc/91/88/49/1023918849.db2.gz YMLKKYYNDLALKS-NRFANRHFSA-N 2 0 337.467 3.762 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](Cc2cc(C#N)cs2)CC1)CC1CC1 ZINC000538858509 1024551180 /nfs/dbraw/zinc/55/11/80/1024551180.db2.gz ZSIJPGDGYGLWRK-UHFFFAOYSA-N 2 0 331.529 3.954 20 30 EHEDRP Cc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000262371706 1025343496 /nfs/dbraw/zinc/34/34/96/1025343496.db2.gz WTPJEPBSJYETAE-INIZCTEOSA-N 2 0 328.485 3.620 20 30 EHEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000425533074 1025663326 /nfs/dbraw/zinc/66/33/26/1025663326.db2.gz KECOUHABZUOSTE-GOSISDBHSA-N 2 0 349.478 3.583 20 30 EHEDRP COc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)ccc1C#N ZINC000440620389 1028430298 /nfs/dbraw/zinc/43/02/98/1028430298.db2.gz XFNMZHRWAHGXRG-UHFFFAOYSA-N 2 0 341.499 3.700 20 30 EHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424323467 1028971790 /nfs/dbraw/zinc/97/17/90/1028971790.db2.gz JEFRZBUOYHQPPG-LLVBAIKDSA-N 2 0 337.511 3.959 20 30 EHEDRP C[NH+]1CCC(C)(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000272512690 1029491997 /nfs/dbraw/zinc/49/19/97/1029491997.db2.gz GKTXBETWULWROV-UHFFFAOYSA-N 2 0 325.500 3.712 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000061051712 1033510024 /nfs/dbraw/zinc/51/00/24/1033510024.db2.gz JUNSGKXBSZQPIX-UHFFFAOYSA-N 2 0 337.467 3.569 20 30 EHEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C(F)(F)F)c1 ZINC000595895331 1034022874 /nfs/dbraw/zinc/02/28/74/1034022874.db2.gz IXYDIKLBYBKEBM-QGZVFWFLSA-N 2 0 337.389 3.541 20 30 EHEDRP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596059587 1034056870 /nfs/dbraw/zinc/05/68/70/1034056870.db2.gz RLUQETPZYNQOQP-FQEVSTJZSA-N 2 0 341.499 3.581 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000171562965 1034461618 /nfs/dbraw/zinc/46/16/18/1034461618.db2.gz PGZMSXHIQRBDAZ-SFHVURJKSA-N 2 0 349.478 3.863 20 30 EHEDRP CCc1ccc(C)[nH+]c1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597184163 1034588954 /nfs/dbraw/zinc/58/89/54/1034588954.db2.gz LUKNQDLJXKFATQ-UHFFFAOYSA-N 2 0 334.467 3.901 20 30 EHEDRP N#Cc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1F ZINC000340883125 1035000432 /nfs/dbraw/zinc/00/04/32/1035000432.db2.gz NTWSAUFBIITWQW-UHFFFAOYSA-N 2 0 329.463 3.785 20 30 EHEDRP CC(C)(C#N)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291453563 1035498504 /nfs/dbraw/zinc/49/85/04/1035498504.db2.gz MINOWSSLCDFEIO-UHFFFAOYSA-N 2 0 325.500 3.914 20 30 EHEDRP CC(C)(C#N)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000540713200 1035619150 /nfs/dbraw/zinc/61/91/50/1035619150.db2.gz KIHKHCVBSATWRQ-UHFFFAOYSA-N 2 0 325.500 3.914 20 30 EHEDRP Cc1cc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)ccc1C#N ZINC000443978750 1036151028 /nfs/dbraw/zinc/15/10/28/1036151028.db2.gz LQJDVLYVTODQIX-SFHVURJKSA-N 2 0 339.508 3.930 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000589350826 1036370085 /nfs/dbraw/zinc/37/00/85/1036370085.db2.gz HOIYFGUYJHHAAV-HKBOAZHASA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399006831 1036605904 /nfs/dbraw/zinc/60/59/04/1036605904.db2.gz YYHYOZLYZZDPCJ-XMSQKQJNSA-N 2 0 333.479 3.753 20 30 EHEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000591839145 1037646800 /nfs/dbraw/zinc/64/68/00/1037646800.db2.gz ZCIGZPBOUGJDDA-INIZCTEOSA-N 2 0 331.423 3.640 20 30 EHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000658034004 1130070914 /nfs/dbraw/zinc/07/09/14/1130070914.db2.gz FRKAILQAJQGNAB-NHCUHLMSSA-N 2 0 342.527 3.738 20 30 EHEDRP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172495603 1131758887 /nfs/dbraw/zinc/75/88/87/1131758887.db2.gz GLHUYIDTUKHWTL-MRXNPFEDSA-N 2 0 344.503 3.804 20 30 EHEDRP CCCCCCC[C@@H](CCC)[NH2+]CCCOCCOCCC[NH3+] ZINC001172501848 1131761433 /nfs/dbraw/zinc/76/14/33/1131761433.db2.gz LBVAZKZZOYETTC-LJQANCHMSA-N 2 0 330.557 3.877 20 30 EHEDRP CO[C@H]1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928076 1131908798 /nfs/dbraw/zinc/90/87/98/1131908798.db2.gz IQOSNZLXQBEPIN-TUFLPTIASA-N 2 0 341.499 3.588 20 30 EHEDRP N#CCC1CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173331289 1132048987 /nfs/dbraw/zinc/04/89/87/1132048987.db2.gz BISBAHVENKPWMI-SUVNUQANSA-N 2 0 326.488 3.626 20 30 EHEDRP COc1ccc(CC2([NH3+])CC[NH+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173591225 1132096332 /nfs/dbraw/zinc/09/63/32/1132096332.db2.gz MNVDFMBELLXXMX-UHFFFAOYSA-N 2 0 341.499 3.503 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594464 1132099871 /nfs/dbraw/zinc/09/98/71/1132099871.db2.gz DTYXCFNDKRWZIX-SDDULXJBSA-N 2 0 344.528 3.512 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001169592040 1132791044 /nfs/dbraw/zinc/79/10/44/1132791044.db2.gz UEALYNUIBPXOOJ-OAQYLSRUSA-N 2 0 348.494 3.948 20 30 EHEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000771855407 1133607386 /nfs/dbraw/zinc/60/73/86/1133607386.db2.gz JKOSRNGLJQOUMF-QFIPXVFZSA-N 2 0 348.494 3.573 20 30 EHEDRP CC[C@@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195988 1134712178 /nfs/dbraw/zinc/71/21/78/1134712178.db2.gz QZQLLIKDYYNPHS-XRXFAXGQSA-N 2 0 341.499 3.588 20 30 EHEDRP C[N@H+](CC1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387145 1134762102 /nfs/dbraw/zinc/76/21/02/1134762102.db2.gz RTPHYIUJBUZQAD-UHFFFAOYSA-N 2 0 325.500 3.664 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000113315475 1136694234 /nfs/dbraw/zinc/69/42/34/1136694234.db2.gz NJDAUOSMEIFLOF-UHFFFAOYSA-N 2 0 334.463 3.584 20 30 EHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617120 1137369932 /nfs/dbraw/zinc/36/99/32/1137369932.db2.gz FMGFDRYTPZXWLC-HVETUWLQSA-N 2 0 337.511 3.658 20 30 EHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000067120606 1138079846 /nfs/dbraw/zinc/07/98/46/1138079846.db2.gz SRPHRLKSVPKTDF-IBGZPJMESA-N 2 0 342.531 3.781 20 30 EHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000176958789 1139589591 /nfs/dbraw/zinc/58/95/91/1139589591.db2.gz BVPOCDYIFFNHEV-UHFFFAOYSA-N 2 0 331.510 3.683 20 30 EHEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000182000536 1139944652 /nfs/dbraw/zinc/94/46/52/1139944652.db2.gz VTVOAYKMUHBHMM-SFHVURJKSA-N 2 0 329.488 3.896 20 30 EHEDRP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000513507147 1019749243 /nfs/dbraw/zinc/74/92/43/1019749243.db2.gz TUPQQVWOJVHUDH-PGRDOPGGSA-N 2 0 333.479 3.949 20 30 EHEDRP N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000602527093 1032962891 /nfs/dbraw/zinc/96/28/91/1032962891.db2.gz YFYUSBJPDBUDCB-UHFFFAOYSA-N 2 0 334.467 3.619 20 30 EHEDRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602534613 1032967419 /nfs/dbraw/zinc/96/74/19/1032967419.db2.gz KKOQVOJOLFSPBU-SFHVURJKSA-N 2 0 343.515 3.715 20 30 EHEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507580548 1021370248 /nfs/dbraw/zinc/37/02/48/1021370248.db2.gz OWSHFNNOWKLWMG-PELRDEGISA-N 2 0 325.500 3.712 20 30 EHEDRP N#C[C@@H]1CC[C@H]([NH+]2CCCC3(CCC[N@@H+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784797 1022499864 /nfs/dbraw/zinc/49/98/64/1022499864.db2.gz OALGJEWVCXTEAF-AUGMSIGLSA-N 2 0 340.515 3.549 20 30 EHEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602716170 1033103094 /nfs/dbraw/zinc/10/30/94/1033103094.db2.gz ADXAGUNPGFIZIE-AZUAARDMSA-N 2 0 325.500 3.818 20 30 EHEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000442777935 1025469276 /nfs/dbraw/zinc/46/92/76/1025469276.db2.gz GOIHQTIUQICYDT-WMZOPIPTSA-N 2 0 331.891 3.834 20 30 EHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131829 1032044597 /nfs/dbraw/zinc/04/45/97/1032044597.db2.gz KUPMIQJIWXWPGZ-ICSRJNTNSA-N 2 0 349.478 3.762 20 30 EHEDRP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000595065272 1033642202 /nfs/dbraw/zinc/64/22/02/1033642202.db2.gz CEUGLOKYTUHHQF-JOCHJYFZSA-N 2 0 348.494 3.906 20 30 EHEDRP C[N@H+](CCc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000595334129 1033732452 /nfs/dbraw/zinc/73/24/52/1033732452.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 2 0 333.479 3.555 20 30 EHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000174278718 1033893016 /nfs/dbraw/zinc/89/30/16/1033893016.db2.gz IILYAZDUHMFFQW-UHFFFAOYSA-N 2 0 337.467 3.698 20 30 EHEDRP N#CC1(c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506622 /nfs/dbraw/zinc/50/66/22/1034506622.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 2 0 335.495 3.690 20 30 EHEDRP N#Cc1ccccc1OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000060468635 1034572239 /nfs/dbraw/zinc/57/22/39/1034572239.db2.gz FIDGFYSSZCBKCH-UHFFFAOYSA-N 2 0 341.499 3.525 20 30 EHEDRP N#CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997748 1036607478 /nfs/dbraw/zinc/60/74/78/1036607478.db2.gz QQECZSSPIGDBPY-XZOQPEGZSA-N 2 0 345.490 3.707 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001167838679 1043045985 /nfs/dbraw/zinc/04/59/85/1043045985.db2.gz VWKXBKDSWSCNCD-ICSRJNTNSA-N 2 0 343.515 3.912 20 30 EHEDRP C=C(C)COCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183338510 1125530011 /nfs/dbraw/zinc/53/00/11/1125530011.db2.gz DOINQAWBEDWXSG-SFHVURJKSA-N 2 0 346.515 3.924 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000764964302 1127560039 /nfs/dbraw/zinc/56/00/39/1127560039.db2.gz SCQWKTKOSGCLFU-MOPGFXCFSA-N 2 0 328.500 3.861 20 30 EHEDRP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939501 /nfs/dbraw/zinc/93/95/01/1123939501.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 2 0 346.515 3.812 20 30 EHEDRP C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000282429455 1129791157 /nfs/dbraw/zinc/79/11/57/1129791157.db2.gz TWLOFCMCBVDPGU-WWDZGPRUSA-N 2 0 329.488 3.608 20 30 EHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCOc2ccc(C#N)cc2)cc1 ZINC000859213720 1137007816 /nfs/dbraw/zinc/00/78/16/1137007816.db2.gz AMSRMCZPPPAJMJ-UHFFFAOYSA-N 2 0 337.467 3.521 20 30 EHEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000865846935 1137316356 /nfs/dbraw/zinc/31/63/56/1137316356.db2.gz BGNXBTXQPQQXML-NLSFWIRASA-N 2 0 345.490 3.668 20 30 EHEDRP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000865846934 1137316371 /nfs/dbraw/zinc/31/63/71/1137316371.db2.gz BGNXBTXQPQQXML-MQNAVGNWSA-N 2 0 345.490 3.668 20 30 EHEDRP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866618311 1137369777 /nfs/dbraw/zinc/36/97/77/1137369777.db2.gz YOOIOKSXMHJJAE-JWNTYJGQSA-N 2 0 345.490 3.526 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1 ZINC001171327066 1137420732 /nfs/dbraw/zinc/42/07/32/1137420732.db2.gz IISVWAAVJNYORZ-OAQYLSRUSA-N 2 0 332.451 3.807 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1F ZINC000716672069 1137488213 /nfs/dbraw/zinc/48/82/13/1137488213.db2.gz SNIOEIAVIRLVLS-TYPHKJRUSA-N 2 0 349.453 3.840 20 30 EHEDRP N#CCc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000886629535 1138103790 /nfs/dbraw/zinc/10/37/90/1138103790.db2.gz HQEBFMJIGUXQBZ-ZRBLBEILSA-N 2 0 345.490 3.895 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182045520 1139947175 /nfs/dbraw/zinc/94/71/75/1139947175.db2.gz RIVKCDQJYUHJDI-ROUUACIJSA-N 2 0 329.488 3.608 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000185803888 1140170548 /nfs/dbraw/zinc/17/05/48/1140170548.db2.gz VWEAXBIBBQREJS-UXHICEINSA-N 2 0 341.499 3.579 20 30 EHEDRP CC(C)C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH2+][C@H](C)c1ccccc1 ZINC000267416935 1140788276 /nfs/dbraw/zinc/78/82/76/1140788276.db2.gz JNWMNCGHERPUEP-AEFFLSMTSA-N 2 0 339.487 3.574 20 30 EHEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000459727770 1032432758 /nfs/dbraw/zinc/43/27/58/1032432758.db2.gz HJIJGEDDZQVTOU-KMFTYDHNSA-N 2 0 325.500 3.712 20 30 EHEDRP CN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975482 1017546185 /nfs/dbraw/zinc/54/61/85/1017546185.db2.gz LTTCMBKOEGFOKA-SUMWQHHRSA-N 2 0 331.510 3.854 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001167316190 1017949049 /nfs/dbraw/zinc/94/90/49/1017949049.db2.gz IYDITETXUZRMDR-FQEVSTJZSA-N 2 0 332.451 3.807 20 30 EHEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC[C@@]3(CCC[N@@H+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784806 1022500100 /nfs/dbraw/zinc/50/01/00/1022500100.db2.gz OALGJEWVCXTEAF-SSSFQFABSA-N 2 0 340.515 3.549 20 30 EHEDRP CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278776253 1033168418 /nfs/dbraw/zinc/16/84/18/1033168418.db2.gz PKQXDZSUHKFRTJ-FQEVSTJZSA-N 2 0 325.431 4.000 20 30 EHEDRP C[C@H](CCC#N)C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740581 1024779306 /nfs/dbraw/zinc/77/93/06/1024779306.db2.gz WSKPPCUOLATHBN-QRVBRYPASA-N 2 0 343.515 3.667 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929799 1036565784 /nfs/dbraw/zinc/56/57/84/1036565784.db2.gz FQWQWNMCYKTBPE-WIYYLYMNSA-N 2 0 349.478 3.589 20 30 EHEDRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000463249695 1037951879 /nfs/dbraw/zinc/95/18/79/1037951879.db2.gz XBXFDPSTCZMZCO-GCJKJVERSA-N 2 0 333.479 3.743 20 30 EHEDRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266318 1039022260 /nfs/dbraw/zinc/02/22/60/1039022260.db2.gz SFCCRWUUHWCMIJ-PGRDOPGGSA-N 2 0 333.479 3.867 20 30 EHEDRP C=CCC1([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551121 1039578759 /nfs/dbraw/zinc/57/87/59/1039578759.db2.gz HYDXNZRNSGDRAX-QUCCMNQESA-N 2 0 328.500 3.612 20 30 EHEDRP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176171 1040377076 /nfs/dbraw/zinc/37/70/76/1040377076.db2.gz OKJDVJQWNUGGSD-NQIIRXRSSA-N 2 0 337.511 3.936 20 30 EHEDRP C=CCOCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132065 1040867170 /nfs/dbraw/zinc/86/71/70/1040867170.db2.gz WRJGMGKEMQPNGW-UHFFFAOYSA-N 2 0 328.500 3.567 20 30 EHEDRP CC1CC[NH+](CCCNCc2cccc(OCCCC#N)c2)CC1 ZINC000236702738 1041465584 /nfs/dbraw/zinc/46/55/84/1041465584.db2.gz XYVSPNIULYKPJS-UHFFFAOYSA-N 2 0 329.488 3.581 20 30 EHEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000367905187 1127412437 /nfs/dbraw/zinc/41/24/37/1127412437.db2.gz VYSZDTSTATUNBH-XUVXKRRUSA-N 2 0 325.500 3.817 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000917069705 1122475238 /nfs/dbraw/zinc/47/52/38/1122475238.db2.gz XWVGEIPPFFUYRP-UHFFFAOYSA-N 2 0 343.515 3.771 20 30 EHEDRP C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282419624 1129769896 /nfs/dbraw/zinc/76/98/96/1129769896.db2.gz SNYWGCDOGRVJFI-YXUAKONQSA-N 2 0 325.500 3.817 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245952716 1130334236 /nfs/dbraw/zinc/33/42/36/1130334236.db2.gz CFTLICHITJUPQT-RTWAWAEBSA-N 2 0 331.463 3.942 20 30 EHEDRP CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928077 1131908955 /nfs/dbraw/zinc/90/89/55/1131908955.db2.gz IQOSNZLXQBEPIN-XRXFAXGQSA-N 2 0 341.499 3.588 20 30 EHEDRP C=CCOC1CCC([N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001173325018 1132047041 /nfs/dbraw/zinc/04/70/41/1132047041.db2.gz XPJBCADCTKCKJU-LPOKXYRGSA-N 2 0 346.540 3.626 20 30 EHEDRP C[NH+](C)Cc1ccc(CSCC[NH2+]C2CCC(C)(C#N)CC2)o1 ZINC001173589680 1132096887 /nfs/dbraw/zinc/09/68/87/1132096887.db2.gz IWQYQDUZTXBEKG-UHFFFAOYSA-N 2 0 335.517 3.636 20 30 EHEDRP CN(C)/C=[NH+]/c1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1C#N ZINC001170451399 1135073248 /nfs/dbraw/zinc/07/32/48/1135073248.db2.gz LSCIGAKGFUNCQJ-HYARGMPZSA-N 2 0 341.503 3.843 20 30 EHEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC001202365953 1136134219 /nfs/dbraw/zinc/13/42/19/1136134219.db2.gz HVHPBNWXQGOGIS-HKUYNNGSSA-N 2 0 328.500 3.994 20 30 EHEDRP C[C@@]1(C#N)CC[NH+](CCCCCCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852686112 1136477891 /nfs/dbraw/zinc/47/78/91/1136477891.db2.gz FYTZAHVJTFGPFM-PMACEKPBSA-N 2 0 330.520 3.798 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000113343824 1136697488 /nfs/dbraw/zinc/69/74/88/1136697488.db2.gz HTSCRIRBALOSTB-GOSISDBHSA-N 2 0 329.488 3.723 20 30 EHEDRP C=CCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856607174 1136799143 /nfs/dbraw/zinc/79/91/43/1136799143.db2.gz XLWJDZJSDNERBQ-FQEVSTJZSA-N 2 0 331.504 3.731 20 30 EHEDRP C=C(C)CN1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819024380 1136904469 /nfs/dbraw/zinc/90/44/69/1136904469.db2.gz PDOQMUMEQRZNGI-KRWDZBQOSA-N 2 0 343.298 3.657 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]/C2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC000794849300 1137296949 /nfs/dbraw/zinc/29/69/49/1137296949.db2.gz WFLASUKRHHTFDL-RCCKNPSSSA-N 2 0 329.488 3.674 20 30 EHEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000865716629 1137306104 /nfs/dbraw/zinc/30/61/04/1137306104.db2.gz CBTVIDGISQXRDG-QGZVFWFLSA-N 2 0 329.488 3.578 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172289567 1137548163 /nfs/dbraw/zinc/54/81/63/1137548163.db2.gz FMUQIQFFDMRVSX-AVRDEDQJSA-N 2 0 333.479 3.601 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172299664 1137549047 /nfs/dbraw/zinc/54/90/47/1137549047.db2.gz MPAVIKFLIIOGCP-GOSISDBHSA-N 2 0 333.479 3.525 20 30 EHEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271077738 1141305488 /nfs/dbraw/zinc/30/54/88/1141305488.db2.gz PKAFBDAVMKWHDN-PELRDEGISA-N 2 0 325.500 3.712 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000602023005 1032593348 /nfs/dbraw/zinc/59/33/48/1032593348.db2.gz VQPXHASTYKADAT-UVKLAMSESA-N 2 0 347.506 3.940 20 30 EHEDRP C[C@@H](CCC#N)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602484529 1032913519 /nfs/dbraw/zinc/91/35/19/1032913519.db2.gz NZTFCCWFOQSEDF-IBGZPJMESA-N 2 0 325.500 3.914 20 30 EHEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808576 1023660378 /nfs/dbraw/zinc/66/03/78/1023660378.db2.gz MXXKYVKQKDLORK-WIYYLYMNSA-N 2 0 326.484 3.700 20 30 EHEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000442901088 1025586040 /nfs/dbraw/zinc/58/60/40/1025586040.db2.gz NNKBTFDRDJBZTH-QGZVFWFLSA-N 2 0 334.467 3.863 20 30 EHEDRP C=CCN1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453101702 1027363042 /nfs/dbraw/zinc/36/30/42/1027363042.db2.gz OPZNGZFPHRKWCT-VQTJNVASSA-N 2 0 348.918 3.670 20 30 EHEDRP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CCCCCC1 ZINC000305740126 1027876991 /nfs/dbraw/zinc/87/69/91/1027876991.db2.gz CHWWVXYKFJUJSS-INIZCTEOSA-N 2 0 334.533 3.512 20 30 EHEDRP CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000422997622 1028113883 /nfs/dbraw/zinc/11/38/83/1028113883.db2.gz VAMYJIHNMABBDG-NTFDOXNWSA-N 2 0 341.499 3.759 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000423419043 1028414845 /nfs/dbraw/zinc/41/48/45/1028414845.db2.gz IIAOHPVZNJVRNF-XURKDWKJSA-N 2 0 325.500 3.745 20 30 EHEDRP CC(C)(CCC#N)C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271737959 1029148715 /nfs/dbraw/zinc/14/87/15/1029148715.db2.gz ZZGOQXXBTQWAMJ-UHFFFAOYSA-N 2 0 343.515 3.623 20 30 EHEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152207 1029363733 /nfs/dbraw/zinc/36/37/33/1029363733.db2.gz AERBCPIYSZUXNQ-UIFIKXQLSA-N 2 0 343.515 3.736 20 30 EHEDRP N#CCCCOc1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683534 1030652459 /nfs/dbraw/zinc/65/24/59/1030652459.db2.gz PORWGGAVOHTCCC-FQEVSTJZSA-N 2 0 341.499 3.677 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594927208 1033549268 /nfs/dbraw/zinc/54/92/68/1033549268.db2.gz ZMJNWFFZXONJLM-HDICACEKSA-N 2 0 325.500 3.699 20 30 EHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658135478 1033970345 /nfs/dbraw/zinc/97/03/45/1033970345.db2.gz DXWKXHULAOHVCP-WOJBJXKFSA-N 2 0 340.467 3.643 20 30 EHEDRP N#CCCCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596059588 1034056274 /nfs/dbraw/zinc/05/62/74/1034056274.db2.gz RLUQETPZYNQOQP-HXUWFJFHSA-N 2 0 341.499 3.581 20 30 EHEDRP CC(CC[NH+]1CCC[C@@](C)(C#N)C1)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000591026524 1037207917 /nfs/dbraw/zinc/20/79/17/1037207917.db2.gz JKXHYCOPCBDYFF-PMACEKPBSA-N 2 0 330.520 3.654 20 30 EHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000573390784 1037503966 /nfs/dbraw/zinc/50/39/66/1037503966.db2.gz DBGMCOAJAGBHLZ-OAQYLSRUSA-N 2 0 328.500 3.994 20 30 EHEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000491737320 1037647019 /nfs/dbraw/zinc/64/70/19/1037647019.db2.gz BMYUDUBJIAOFEG-LJQANCHMSA-N 2 0 325.843 3.668 20 30 EHEDRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000463249694 1037950678 /nfs/dbraw/zinc/95/06/78/1037950678.db2.gz XBXFDPSTCZMZCO-AVRDEDQJSA-N 2 0 333.479 3.743 20 30 EHEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522944 1039196850 /nfs/dbraw/zinc/19/68/50/1039196850.db2.gz WBNNYUYDYFHUKA-QMCAAQAGSA-N 2 0 337.511 3.959 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000236920386 1040177519 /nfs/dbraw/zinc/17/75/19/1040177519.db2.gz LCPIPDLBSWGTNO-UHFFFAOYSA-N 2 0 336.479 3.830 20 30 EHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925623043 1040267528 /nfs/dbraw/zinc/26/75/28/1040267528.db2.gz SRFRXSYSIIXANB-FQEVSTJZSA-N 2 0 339.508 3.861 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000236699405 1041303516 /nfs/dbraw/zinc/30/35/16/1041303516.db2.gz OAMGYJYUBGHKQO-UHFFFAOYSA-N 2 0 328.500 3.690 20 30 EHEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311078228 1128979865 /nfs/dbraw/zinc/97/98/65/1128979865.db2.gz WDRRSELGKHXILM-QFIPXVFZSA-N 2 0 333.479 3.950 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)[NH+]2CCCCCC2)c(O)c1 ZINC000915979070 1122003983 /nfs/dbraw/zinc/00/39/83/1122003983.db2.gz CQROVJSKEMXHQC-QFGIDJEJSA-N 2 0 331.504 3.922 20 30 EHEDRP C#CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183102012 1125444356 /nfs/dbraw/zinc/44/43/56/1125444356.db2.gz YJRSDJFCHDHQJI-QUCCMNQESA-N 2 0 340.511 3.831 20 30 EHEDRP N#CCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC001173327682 1132048417 /nfs/dbraw/zinc/04/84/17/1132048417.db2.gz FNZYRHATDNWRGN-KPUASWNJSA-N 2 0 337.511 3.959 20 30 EHEDRP CC1(C#N)CCC([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590827 1132096438 /nfs/dbraw/zinc/09/64/38/1132096438.db2.gz CXHDFXGJIALXNW-RTWGARKQSA-N 2 0 326.488 3.626 20 30 EHEDRP CCC[NH+](CCC)CCCN1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600345 1132102094 /nfs/dbraw/zinc/10/20/94/1132102094.db2.gz BGOYAKMSCDLFCA-UHFFFAOYSA-N 2 0 348.579 3.589 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1 ZINC001168845861 1132586798 /nfs/dbraw/zinc/58/67/98/1132586798.db2.gz HPAFHQFEEUYEAJ-HXUWFJFHSA-N 2 0 332.451 3.807 20 30 EHEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H](C)Cc1ccccc1Cl ZINC001170267803 1134728749 /nfs/dbraw/zinc/72/87/49/1134728749.db2.gz YTAPFLMZBXGRCX-AWEZNQCLSA-N 2 0 329.875 3.938 20 30 EHEDRP CCCCCCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001201840147 1136069575 /nfs/dbraw/zinc/06/95/75/1136069575.db2.gz NJXLUAQTHDPESA-SFHVURJKSA-N 2 0 338.536 3.696 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001171204313 1137324779 /nfs/dbraw/zinc/32/47/79/1137324779.db2.gz VMTNSJHESMCSIF-RBUKOAKNSA-N 2 0 337.511 3.900 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001171228963 1137353703 /nfs/dbraw/zinc/35/37/03/1137353703.db2.gz JYSSQONMTHIZHE-YYWHXJBOSA-N 2 0 325.500 3.828 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773078160 1137463625 /nfs/dbraw/zinc/46/36/25/1137463625.db2.gz VFEPCLQUQXJLOH-RTBURBONSA-N 2 0 328.500 3.717 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001172299567 1137549012 /nfs/dbraw/zinc/54/90/12/1137549012.db2.gz LQAPXQNWLUXNNV-QGZVFWFLSA-N 2 0 327.516 3.837 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134917836 1138712770 /nfs/dbraw/zinc/71/27/70/1138712770.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 2 0 337.511 3.936 20 30 EHEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268917395 1141024969 /nfs/dbraw/zinc/02/49/69/1141024969.db2.gz VMWZFXFQKGFNBT-DENIHFKCSA-N 2 0 341.543 3.670 20 30 EHEDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000610271186 1017120554 /nfs/dbraw/zinc/12/05/54/1017120554.db2.gz HPYGQJTULRZXMV-LAUBAEHRSA-N 2 0 349.478 3.710 20 30 EHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)C1 ZINC000602513310 1032948284 /nfs/dbraw/zinc/94/82/84/1032948284.db2.gz FTEXWUXWDZOZRQ-QZTJIDSGSA-N 2 0 348.494 3.721 20 30 EHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000657874634 1033105795 /nfs/dbraw/zinc/10/57/95/1033105795.db2.gz WNOCFCYCHJZHKG-IFMALSPDSA-N 2 0 342.527 3.868 20 30 EHEDRP N#CCCC1CC[NH+](CCCC[NH+]2CCC(CCC#N)CC2)CC1 ZINC000518370003 1023260169 /nfs/dbraw/zinc/26/01/69/1023260169.db2.gz JRBXNLYIEICWIC-UHFFFAOYSA-N 2 0 330.520 3.798 20 30 EHEDRP C=CCC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000895260021 1024138955 /nfs/dbraw/zinc/13/89/55/1024138955.db2.gz NQFLJAZZSZGVQC-HBMCJLEFSA-N 2 0 340.511 3.754 20 30 EHEDRP CC[NH+]1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047697811 1024244393 /nfs/dbraw/zinc/24/43/93/1024244393.db2.gz AZAMMSKNDHWZMU-UHFFFAOYSA-N 2 0 349.478 3.711 20 30 EHEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000435730558 1025097786 /nfs/dbraw/zinc/09/77/86/1025097786.db2.gz FMZSBDPBOOZTKF-VQTJNVASSA-N 2 0 330.516 3.715 20 30 EHEDRP COc1cc(C#N)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000347288945 1025834879 /nfs/dbraw/zinc/83/48/79/1025834879.db2.gz ZPNHNMWIWKVFID-UHFFFAOYSA-N 2 0 341.499 3.655 20 30 EHEDRP N#CCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422994256 1028100840 /nfs/dbraw/zinc/10/08/40/1028100840.db2.gz HFDSVWUDQICEDV-ONTIZHBOSA-N 2 0 347.462 3.877 20 30 EHEDRP N#CCCCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134204800 1028102247 /nfs/dbraw/zinc/10/22/47/1028102247.db2.gz KFHBZNIIXOBASZ-UHFFFAOYSA-N 2 0 341.499 3.677 20 30 EHEDRP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)c1O ZINC000173446719 1033339804 /nfs/dbraw/zinc/33/98/04/1033339804.db2.gz LHYSUOCROIOWDH-KRWDZBQOSA-N 2 0 346.515 3.683 20 30 EHEDRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372418 1033891814 /nfs/dbraw/zinc/89/18/14/1033891814.db2.gz JLUKGHSGEAKPQM-AVRDEDQJSA-N 2 0 333.479 3.867 20 30 EHEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000386485885 1035750411 /nfs/dbraw/zinc/75/04/11/1035750411.db2.gz WUZHQXPCJMXXTJ-QFIPXVFZSA-N 2 0 333.479 3.950 20 30 EHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000271425877 1035894007 /nfs/dbraw/zinc/89/40/07/1035894007.db2.gz BENWBYKTIRFCAE-KKSFZXQISA-N 2 0 337.442 3.698 20 30 EHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152479707 1036873882 /nfs/dbraw/zinc/87/38/82/1036873882.db2.gz AVOYUVHPYJMSSH-HOTGVXAUSA-N 2 0 334.891 3.953 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000171130604 1037478304 /nfs/dbraw/zinc/47/83/04/1037478304.db2.gz FFOKGUIXELJPCY-KRWDZBQOSA-N 2 0 337.467 3.740 20 30 EHEDRP N#CC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517959 1039186208 /nfs/dbraw/zinc/18/62/08/1039186208.db2.gz DXICJDKOSBEXNY-BLQBXXAQSA-N 2 0 337.511 3.959 20 30 EHEDRP CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121602132 1042809989 /nfs/dbraw/zinc/80/99/89/1042809989.db2.gz NOUIPDFSPGEKSR-IBGZPJMESA-N 2 0 337.442 3.651 20 30 EHEDRP C=CCCCCCC[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279270968 1043571671 /nfs/dbraw/zinc/57/16/71/1043571671.db2.gz ISPHASZJORYMJS-UHFFFAOYSA-N 2 0 330.520 3.834 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000153649155 1121550339 /nfs/dbraw/zinc/55/03/39/1121550339.db2.gz BBTICEXVKDJKCI-MRXNPFEDSA-N 2 0 349.409 3.874 20 30 EHEDRP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000618804291 1125207516 /nfs/dbraw/zinc/20/75/16/1125207516.db2.gz KQMRKNOUNWWKOI-AOMKIAJQSA-N 2 0 349.478 3.837 20 30 EHEDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690249 /nfs/dbraw/zinc/69/02/49/1129690249.db2.gz HOWMYIUYWRXOME-JOCHJYFZSA-N 2 0 331.463 3.753 20 30 EHEDRP N#CCC1CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173331216 1132049262 /nfs/dbraw/zinc/04/92/62/1132049262.db2.gz AYKGNHNSHDZBKR-YAEFEIELSA-N 2 0 326.488 3.626 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC001170360036 1134755650 /nfs/dbraw/zinc/75/56/50/1134755650.db2.gz NVNZRAPIGOQNEB-UHFFFAOYSA-N 2 0 325.500 3.856 20 30 EHEDRP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170374110 1134765672 /nfs/dbraw/zinc/76/56/72/1134765672.db2.gz SSJJEBFUENOSTB-NHFBTNOQSA-N 2 0 325.500 3.853 20 30 EHEDRP C[C@]1(C#N)CC[NH+](CCCCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686113 1136477904 /nfs/dbraw/zinc/47/79/04/1136477904.db2.gz FYTZAHVJTFGPFM-WOJBJXKFSA-N 2 0 330.520 3.798 20 30 EHEDRP C=CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccncc1 ZINC000817893977 1136843827 /nfs/dbraw/zinc/84/38/27/1136843827.db2.gz JZEWEFWQYPECFN-ZVDOUQERSA-N 2 0 335.451 3.544 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001171222117 1137348311 /nfs/dbraw/zinc/34/83/11/1137348311.db2.gz DXXHDZMWJNPPRZ-LEOXJPRUSA-N 2 0 345.490 3.553 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001171228953 1137353517 /nfs/dbraw/zinc/35/35/17/1137353517.db2.gz JYSSQONMTHIZHE-DZFGPLHGSA-N 2 0 325.500 3.828 20 30 EHEDRP N#CC1(Nc2cccc3c2CC[C@H]3[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001171276839 1137389135 /nfs/dbraw/zinc/38/91/35/1137389135.db2.gz FAENHGKMUHAYKZ-HXUWFJFHSA-N 2 0 346.478 3.603 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001172289823 1137548123 /nfs/dbraw/zinc/54/81/23/1137548123.db2.gz IQKYZSQYJODQHY-WMZHIEFXSA-N 2 0 347.506 3.991 20 30 EHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000877113639 1137670356 /nfs/dbraw/zinc/67/03/56/1137670356.db2.gz MYXUIXAJBZSFDF-UHFFFAOYSA-N 2 0 346.906 3.739 20 30 EHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000883207351 1137848693 /nfs/dbraw/zinc/84/86/93/1137848693.db2.gz KZOIMSHAWNVOAF-FSSWDIPSSA-N 2 0 342.527 3.531 20 30 EHEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000176943397 1139588565 /nfs/dbraw/zinc/58/85/65/1139588565.db2.gz KCVIBKGFYZRPIH-UHFFFAOYSA-N 2 0 325.481 3.895 20 30 EHEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065759 1141303671 /nfs/dbraw/zinc/30/36/71/1141303671.db2.gz JCOFRNGHZROXTF-RKDVLTNBSA-N 2 0 325.500 3.853 20 30 EHEDRP N#CC[C@@H]1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000449444685 1032560178 /nfs/dbraw/zinc/56/01/78/1032560178.db2.gz CJEMTMMCWCVYGV-PXNSSMCTSA-N 2 0 329.463 3.505 20 30 EHEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000377886202 1018514541 /nfs/dbraw/zinc/51/45/41/1018514541.db2.gz ZCOWAVXMNXNYRO-FQEVSTJZSA-N 2 0 341.499 3.533 20 30 EHEDRP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000398103244 1018969374 /nfs/dbraw/zinc/96/93/74/1018969374.db2.gz AUGUIIJLZVEULB-UTKZUKDTSA-N 2 0 349.478 3.567 20 30 EHEDRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513502198 1019758928 /nfs/dbraw/zinc/75/89/28/1019758928.db2.gz YCAZERYGCMSQHK-AVRDEDQJSA-N 2 0 333.479 3.949 20 30 EHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000602574380 1032983734 /nfs/dbraw/zinc/98/37/34/1032983734.db2.gz ZONQYPGTLCYZKA-RTBURBONSA-N 2 0 343.515 3.586 20 30 EHEDRP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc2cc(O)ccc2c1 ZINC001167970492 1022385025 /nfs/dbraw/zinc/38/50/25/1022385025.db2.gz LOJOQBKVQLSLKP-IHWFROFDSA-N 2 0 349.478 3.656 20 30 EHEDRP N#CC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000602717838 1033105700 /nfs/dbraw/zinc/10/57/00/1033105700.db2.gz IQZCKTGAQIVGCT-VEDCXYSMSA-N 2 0 337.511 3.961 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000346131202 1024434852 /nfs/dbraw/zinc/43/48/52/1024434852.db2.gz NCNWVCCPJXOEHI-ZDUSSCGKSA-N 2 0 329.394 3.749 20 30 EHEDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000423477873 1028460463 /nfs/dbraw/zinc/46/04/63/1028460463.db2.gz SNYXGMKUINKRLP-PAXLWEDBSA-N 2 0 337.442 3.741 20 30 EHEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000177500161 1031549059 /nfs/dbraw/zinc/54/90/59/1031549059.db2.gz YAGUGCNMZVEONH-ROUUACIJSA-N 2 0 335.536 3.528 20 30 EHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000536652978 1032041358 /nfs/dbraw/zinc/04/13/58/1032041358.db2.gz HRZYVLNEPIKKCO-UHFFFAOYSA-N 2 0 343.515 3.921 20 30 EHEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594607142 1033476055 /nfs/dbraw/zinc/47/60/55/1033476055.db2.gz PVIJTLMDJONQQU-LJQANCHMSA-N 2 0 325.500 3.651 20 30 EHEDRP C=CCC[C@@H](CCC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297668 1036517724 /nfs/dbraw/zinc/51/77/24/1036517724.db2.gz GLUPONGVTBLKHU-HXUWFJFHSA-N 2 0 330.516 3.738 20 30 EHEDRP N#Cc1ccc(OCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443594023 1036624051 /nfs/dbraw/zinc/62/40/51/1036624051.db2.gz POTCNIQUFIORNG-UHFFFAOYSA-N 2 0 341.499 3.525 20 30 EHEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311158369 1036968153 /nfs/dbraw/zinc/96/81/53/1036968153.db2.gz PADDZEUQWHZVKS-NRFANRHFSA-N 2 0 336.479 3.863 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512642392 1040381389 /nfs/dbraw/zinc/38/13/89/1040381389.db2.gz PEQZBZWGCAXEIH-YTFSRNRJSA-N 2 0 345.490 3.949 20 30 EHEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676323 1042824601 /nfs/dbraw/zinc/82/46/01/1042824601.db2.gz VAQIKKLZMAHSMH-UTKZUKDTSA-N 2 0 341.499 3.555 20 30 EHEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001167833503 1043006112 /nfs/dbraw/zinc/00/61/12/1043006112.db2.gz CDMGLAHWYRLRHR-GHTZIAJQSA-N 2 0 343.515 3.912 20 30 EHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000153577171 1128464890 /nfs/dbraw/zinc/46/48/90/1128464890.db2.gz WDVZHENLVFYGES-ROUUACIJSA-N 2 0 333.479 3.804 20 30 EHEDRP N#CCC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173326394 1132048147 /nfs/dbraw/zinc/04/81/47/1132048147.db2.gz YNGAYHFQBKBABC-VEDCXYSMSA-N 2 0 325.500 3.961 20 30 EHEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC23CC[NH+](CC2)CC3)cc1 ZINC001169800575 1132854658 /nfs/dbraw/zinc/85/46/58/1132854658.db2.gz YRGWULZRNVOTGQ-FQEVSTJZSA-N 2 0 325.500 3.907 20 30 EHEDRP C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775419977 1134763463 /nfs/dbraw/zinc/76/34/63/1134763463.db2.gz FCFVOBUVNDAGTD-MSOLQXFVSA-N 2 0 346.515 3.516 20 30 EHEDRP C#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001144572206 1137311635 /nfs/dbraw/zinc/31/16/35/1137311635.db2.gz UBSUURVSRXCLAN-UHFFFAOYSA-N 2 0 334.463 3.749 20 30 EHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617375 1137369917 /nfs/dbraw/zinc/36/99/17/1137369917.db2.gz IBSQGRZYWDYZLN-HVETUWLQSA-N 2 0 337.511 3.658 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172318936 1137546895 /nfs/dbraw/zinc/54/68/95/1137546895.db2.gz JNRJKMRBZAUDJJ-LEOXJPRUSA-N 2 0 345.490 3.553 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000134157087 1137943864 /nfs/dbraw/zinc/94/38/64/1137943864.db2.gz GFBSWGIRDGWDNX-SFHVURJKSA-N 2 0 343.515 3.921 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181755296 1139928575 /nfs/dbraw/zinc/92/85/75/1139928575.db2.gz SUUCXEFLLIMNED-HNNXBMFYSA-N 2 0 341.430 3.640 20 30 EHEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000187977497 1140279115 /nfs/dbraw/zinc/27/91/15/1140279115.db2.gz GTXNXCWJLGZORG-GFCCVEGCSA-N 2 0 341.268 3.889 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177686135 1018464578 /nfs/dbraw/zinc/46/45/78/1018464578.db2.gz LZPKJGQHBXBNSD-UHFFFAOYSA-N 2 0 343.496 3.630 20 30 EHEDRP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1F ZINC000616747603 1018792647 /nfs/dbraw/zinc/79/26/47/1018792647.db2.gz HVWHKEDJKWYABI-UHFFFAOYSA-N 2 0 329.463 3.785 20 30 EHEDRP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602577554 1032997013 /nfs/dbraw/zinc/99/70/13/1032997013.db2.gz VRPSJBSZXPRNFM-KJJOEJEFSA-N 2 0 325.500 3.959 20 30 EHEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602716172 1033101830 /nfs/dbraw/zinc/10/18/30/1033101830.db2.gz ADXAGUNPGFIZIE-QUCCMNQESA-N 2 0 325.500 3.818 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000518263524 1023173309 /nfs/dbraw/zinc/17/33/09/1023173309.db2.gz QPAFXMWBZHKBEM-SFHVURJKSA-N 2 0 346.515 3.862 20 30 EHEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000442777928 1025468869 /nfs/dbraw/zinc/46/88/69/1025468869.db2.gz GOIHQTIUQICYDT-FUHWJXTLSA-N 2 0 331.891 3.834 20 30 EHEDRP CC1(C)CC([NH2+]Cc2cccc(OCCCC#N)c2)CC(C)(C)[NH2+]1 ZINC000103341050 1027428271 /nfs/dbraw/zinc/42/82/71/1027428271.db2.gz OJQFHKVVZWODKF-UHFFFAOYSA-N 2 0 329.488 3.768 20 30 EHEDRP N#CC1(c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031149 1034504991 /nfs/dbraw/zinc/50/49/91/1034504991.db2.gz VQHPRYUGBGNDQY-GHTZIAJQSA-N 2 0 335.495 3.690 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000539495699 1036829730 /nfs/dbraw/zinc/82/97/30/1036829730.db2.gz BPGNKPDXKNDCPA-GOSISDBHSA-N 2 0 349.478 3.884 20 30 EHEDRP C=CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676322 1042824841 /nfs/dbraw/zinc/82/48/41/1042824841.db2.gz VAQIKKLZMAHSMH-LAUBAEHRSA-N 2 0 341.499 3.555 20 30 EHEDRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000174551114 1126855853 /nfs/dbraw/zinc/85/58/53/1126855853.db2.gz LQVIFPUUZDKWDM-UHFFFAOYSA-N 2 0 329.488 3.581 20 30 EHEDRP C[C@H]1C[C@@H](NCc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000921816801 1128784136 /nfs/dbraw/zinc/78/41/36/1128784136.db2.gz KCNITBLHPVGTKT-YJBOKZPZSA-N 2 0 325.481 3.762 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)[NH+]2CCCCCC2)c(O)c1 ZINC000915979069 1122004006 /nfs/dbraw/zinc/00/40/06/1122004006.db2.gz CQROVJSKEMXHQC-GFXBCDTMSA-N 2 0 331.504 3.922 20 30 EHEDRP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280324 /nfs/dbraw/zinc/28/03/24/1125280324.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 2 0 346.515 3.812 20 30 EHEDRP C#CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183101992 1125444297 /nfs/dbraw/zinc/44/42/97/1125444297.db2.gz YJRSDJFCHDHQJI-ICSRJNTNSA-N 2 0 340.511 3.831 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000069708525 1129475803 /nfs/dbraw/zinc/47/58/03/1129475803.db2.gz SCNSCJKLBPDQLK-UHFFFAOYSA-N 2 0 337.467 3.569 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000069708609 1129475869 /nfs/dbraw/zinc/47/58/69/1129475869.db2.gz FYPOVAITYGMTNR-UHFFFAOYSA-N 2 0 337.467 3.569 20 30 EHEDRP C[C@@H](CCCC#N)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172499628 1131759642 /nfs/dbraw/zinc/75/96/42/1131759642.db2.gz YUWVWAUPEIZDDQ-AYZHRIAMSA-N 2 0 327.516 3.964 20 30 EHEDRP CO[C@H]1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931537 1131910185 /nfs/dbraw/zinc/91/01/85/1131910185.db2.gz UZLMMZUQVPPLPE-NCYKPQTJSA-N 2 0 341.499 3.588 20 30 EHEDRP C[NH+](C)Cc1ccc(CSCC[NH2+]C2CCC(CC#N)CC2)o1 ZINC001173324372 1132046993 /nfs/dbraw/zinc/04/69/93/1132046993.db2.gz NBMMIXJEIFGECN-UHFFFAOYSA-N 2 0 335.517 3.636 20 30 EHEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000771855403 1133607630 /nfs/dbraw/zinc/60/76/30/1133607630.db2.gz JKOSRNGLJQOUMF-JOCHJYFZSA-N 2 0 348.494 3.573 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000772156074 1133653040 /nfs/dbraw/zinc/65/30/40/1133653040.db2.gz UYFDMWATJPPHPL-RCCKNPSSSA-N 2 0 329.488 3.532 20 30 EHEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775419979 1134764724 /nfs/dbraw/zinc/76/47/24/1134764724.db2.gz FCFVOBUVNDAGTD-QZTJIDSGSA-N 2 0 346.515 3.516 20 30 EHEDRP C#CCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC001203808901 1135435516 /nfs/dbraw/zinc/43/55/16/1135435516.db2.gz AMBCJIPOOZYUPB-UHFFFAOYSA-N 2 0 340.511 3.977 20 30 EHEDRP C[NH+]1CCN(c2cc(Nc3cccc4c(C#N)cccc34)cc[nH+]2)CC1 ZINC001201667663 1136049377 /nfs/dbraw/zinc/04/93/77/1136049377.db2.gz YMFCLCOYBCERFF-UHFFFAOYSA-N 2 0 343.434 3.602 20 30 EHEDRP C[Si](C)(C)C#C[N@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170645777 1136142615 /nfs/dbraw/zinc/14/26/15/1136142615.db2.gz IMFKEDWQPSACEE-GHBBCFCZSA-N 2 0 326.560 3.953 20 30 EHEDRP C=CCOc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1OC ZINC000865765711 1137310084 /nfs/dbraw/zinc/31/00/84/1137310084.db2.gz IUEFYYDEWHNUGI-UHFFFAOYSA-N 2 0 332.488 3.613 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001171222118 1137348211 /nfs/dbraw/zinc/34/82/11/1137348211.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 2 0 345.490 3.553 20 30 EHEDRP CC(C)(CCC#N)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886610878 1138101714 /nfs/dbraw/zinc/10/17/14/1138101714.db2.gz MOKCBHGOYJQKFK-UFYCRDLUSA-N 2 0 325.500 3.959 20 30 EHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000269388301 1141102310 /nfs/dbraw/zinc/10/23/10/1141102310.db2.gz BLTDIDYHDTYHHY-UHFFFAOYSA-N 2 0 325.431 3.829 20 30 EHEDRP N#CCc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000459486377 1032180134 /nfs/dbraw/zinc/18/01/34/1032180134.db2.gz SVHGZQVTRYOSEG-UHFFFAOYSA-N 2 0 342.446 3.623 20 30 EHEDRP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000449121330 1032212771 /nfs/dbraw/zinc/21/27/71/1032212771.db2.gz HIBYFRJGIYRXHF-QNGMFEMESA-N 2 0 325.500 3.613 20 30 EHEDRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000592404239 1032773649 /nfs/dbraw/zinc/77/36/49/1032773649.db2.gz VSEAKGCEWNTRQT-YSGRDPCXSA-N 2 0 337.442 3.693 20 30 EHEDRP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000398103256 1018969227 /nfs/dbraw/zinc/96/92/27/1018969227.db2.gz AUGUIIJLZVEULB-UWJYYQICSA-N 2 0 349.478 3.567 20 30 EHEDRP CC(C)(C)[NH+]1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000177822614 1020051064 /nfs/dbraw/zinc/05/10/64/1020051064.db2.gz PCXJJCDWHMJPRY-UHFFFAOYSA-N 2 0 331.529 3.644 20 30 EHEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472308 1032904792 /nfs/dbraw/zinc/90/47/92/1032904792.db2.gz DUBNDDOGLVKFFV-FPOVZHCZSA-N 2 0 325.500 3.914 20 30 EHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602511003 1032945835 /nfs/dbraw/zinc/94/58/35/1032945835.db2.gz HRKFWQRDZVXCNG-SFHVURJKSA-N 2 0 343.515 3.717 20 30 EHEDRP CCN1CCCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507660993 1021432037 /nfs/dbraw/zinc/43/20/37/1021432037.db2.gz RHTHCAAIYDVFRB-NYLDSWQDSA-N 2 0 325.500 3.855 20 30 EHEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000517741516 1022612465 /nfs/dbraw/zinc/61/24/65/1022612465.db2.gz SIJYTVPPEZLBRY-UTKZUKDTSA-N 2 0 325.500 3.885 20 30 EHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000657874635 1033106484 /nfs/dbraw/zinc/10/64/84/1033106484.db2.gz WNOCFCYCHJZHKG-IRLDBZIGSA-N 2 0 342.527 3.868 20 30 EHEDRP Cc1ccc(-n2ccnc2)c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000329670854 1024035900 /nfs/dbraw/zinc/03/59/00/1024035900.db2.gz RXNJUVUMSZXFIP-INIZCTEOSA-N 2 0 338.455 3.502 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845372 1033220461 /nfs/dbraw/zinc/22/04/61/1033220461.db2.gz ISYIYWXAJPIFKG-UHFFFAOYSA-N 2 0 334.467 3.595 20 30 EHEDRP N#Cc1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685170 1025069055 /nfs/dbraw/zinc/06/90/55/1025069055.db2.gz XIBILVXOQQFCHY-IBGZPJMESA-N 2 0 337.492 3.764 20 30 EHEDRP COc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)ccc1C#N ZINC000281602232 1025260106 /nfs/dbraw/zinc/26/01/06/1025260106.db2.gz FXHVHLBGDSGRHN-UHFFFAOYSA-N 2 0 337.467 3.697 20 30 EHEDRP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302210521 1027090842 /nfs/dbraw/zinc/09/08/42/1027090842.db2.gz YKLUVYIDFSXWEU-UHFFFAOYSA-N 2 0 326.400 3.514 20 30 EHEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])Nc2ccccc2)c2cccs2)CC1 ZINC000303368335 1027538628 /nfs/dbraw/zinc/53/86/28/1027538628.db2.gz IUWMGXHOLVGNQT-KRWDZBQOSA-N 2 0 342.512 3.948 20 30 EHEDRP CC1(C)CCCN[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423371665 1028394252 /nfs/dbraw/zinc/39/42/52/1028394252.db2.gz APQBCAYILKZEPS-SCCNAQOGSA-N 2 0 325.500 3.758 20 30 EHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644830 /nfs/dbraw/zinc/64/48/30/1030644830.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 2 0 329.488 3.531 20 30 EHEDRP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)c1O ZINC000173446737 1033338979 /nfs/dbraw/zinc/33/89/79/1033338979.db2.gz LHYSUOCROIOWDH-QGZVFWFLSA-N 2 0 346.515 3.683 20 30 EHEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000594510687 1033415110 /nfs/dbraw/zinc/41/51/10/1033415110.db2.gz ARHDPPXAHBXWCL-OYRHEFFESA-N 2 0 349.478 3.567 20 30 EHEDRP C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000595334132 1033733286 /nfs/dbraw/zinc/73/32/86/1033733286.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 2 0 333.479 3.555 20 30 EHEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000592391382 1037953312 /nfs/dbraw/zinc/95/33/12/1037953312.db2.gz ALFQKJYVCPJWLP-IBGZPJMESA-N 2 0 347.506 3.938 20 30 EHEDRP C[C@H](NCc1ccc(C#N)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789426 1038850085 /nfs/dbraw/zinc/85/00/85/1038850085.db2.gz OGRJWTNTVDLIEM-DOTOQJQBSA-N 2 0 325.481 3.620 20 30 EHEDRP C=CC[C@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093592 /nfs/dbraw/zinc/09/35/92/1042093592.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 2 0 332.532 3.579 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921544023 1127692054 /nfs/dbraw/zinc/69/20/54/1127692054.db2.gz QCIVRGYOBVFUIB-UHFFFAOYSA-N 2 0 343.496 3.630 20 30 EHEDRP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(C#N)c1 ZINC000272325357 1121519887 /nfs/dbraw/zinc/51/98/87/1121519887.db2.gz WUWKLOFIXZZUOZ-MRXNPFEDSA-N 2 0 349.482 3.657 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000152992145 1125413623 /nfs/dbraw/zinc/41/36/23/1125413623.db2.gz ZYOKPPFWYXGPHX-NQIIRXRSSA-N 2 0 333.564 3.660 20 30 EHEDRP C=CCOCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348040397 1131134940 /nfs/dbraw/zinc/13/49/40/1131134940.db2.gz VKZICFXSHLOFAE-NRFANRHFSA-N 2 0 328.500 3.567 20 30 EHEDRP CO[C@@H]1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928078 1131909356 /nfs/dbraw/zinc/90/93/56/1131909356.db2.gz IQOSNZLXQBEPIN-XSDIEEQYSA-N 2 0 341.499 3.588 20 30 EHEDRP CC1(C#N)CCC([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591187 1132096575 /nfs/dbraw/zinc/09/65/75/1132096575.db2.gz KCOSFIHOOLHGTR-RTWGARKQSA-N 2 0 326.488 3.626 20 30 EHEDRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598013 1132100920 /nfs/dbraw/zinc/10/09/20/1132100920.db2.gz LYMQQGVUQBFBCK-QNGMFEMESA-N 2 0 325.500 3.913 20 30 EHEDRP C[N@H+](CCC[NH+]1CCCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387115 1134762495 /nfs/dbraw/zinc/76/24/95/1134762495.db2.gz QTAXKLYSLASGTJ-UHFFFAOYSA-N 2 0 325.500 3.808 20 30 EHEDRP C=C(C)CN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001194051862 1135221476 /nfs/dbraw/zinc/22/14/76/1135221476.db2.gz JRAGOKVLHGNAEJ-QFIPXVFZSA-N 2 0 338.495 3.558 20 30 EHEDRP CC(C)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C#N)c1 ZINC001201666859 1136049707 /nfs/dbraw/zinc/04/97/07/1136049707.db2.gz GVWGWIVKVOHSJF-UHFFFAOYSA-N 2 0 335.455 3.572 20 30 EHEDRP C#CCCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975857 1137525238 /nfs/dbraw/zinc/52/52/38/1137525238.db2.gz GTVANLZZRNPTDA-IBGZPJMESA-N 2 0 338.499 3.985 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCN(CC2CCCCC2)C1 ZINC001172298900 1137549067 /nfs/dbraw/zinc/54/90/67/1137549067.db2.gz IEZHEOLZBREYAX-UTKZUKDTSA-N 2 0 325.500 3.733 20 30 EHEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000876708705 1137659419 /nfs/dbraw/zinc/65/94/19/1137659419.db2.gz YSLIZBQIWSBBJW-KRWDZBQOSA-N 2 0 349.906 3.860 20 30 EHEDRP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311977 1137744022 /nfs/dbraw/zinc/74/40/22/1137744022.db2.gz ZOPIHRCNCDTRLK-IYWMVGAKSA-N 2 0 330.520 3.795 20 30 EHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000883207350 1137848635 /nfs/dbraw/zinc/84/86/35/1137848635.db2.gz KZOIMSHAWNVOAF-BHIFYINESA-N 2 0 342.527 3.531 20 30 EHEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196704 1140019659 /nfs/dbraw/zinc/01/96/59/1140019659.db2.gz ZFGYWMIQPMAYDA-JENIJYKNSA-N 2 0 341.499 3.893 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000067668370 1017473498 /nfs/dbraw/zinc/47/34/98/1017473498.db2.gz IQNWDSNJDFJKQF-UHFFFAOYSA-N 2 0 336.479 3.829 20 30 EHEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472307 1032904705 /nfs/dbraw/zinc/90/47/05/1032904705.db2.gz DUBNDDOGLVKFFV-CTNGQTDRSA-N 2 0 325.500 3.914 20 30 EHEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472309 1032906400 /nfs/dbraw/zinc/90/64/00/1032906400.db2.gz DUBNDDOGLVKFFV-PZJWPPBQSA-N 2 0 325.500 3.914 20 30 EHEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483897 1032913175 /nfs/dbraw/zinc/91/31/75/1032913175.db2.gz JUCDDDSJBBZXEH-NRSPTQNISA-N 2 0 325.500 3.913 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477164815 1021220373 /nfs/dbraw/zinc/22/03/73/1021220373.db2.gz NQDKCWVYFNKSPH-UHFFFAOYSA-N 2 0 343.515 3.771 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(C3CCCC3)C2)CC1 ZINC000507660805 1021432055 /nfs/dbraw/zinc/43/20/55/1021432055.db2.gz PYMLUFSERJKOJD-FUHYEJFZSA-N 2 0 337.511 3.997 20 30 EHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000657874636 1033107018 /nfs/dbraw/zinc/10/70/18/1033107018.db2.gz WNOCFCYCHJZHKG-RBBKRZOGSA-N 2 0 342.527 3.868 20 30 EHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421332331 1028276588 /nfs/dbraw/zinc/27/65/88/1028276588.db2.gz LTCVQBZHRNUMOX-UHFFFAOYSA-N 2 0 325.431 3.829 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1OC ZINC000421378267 1028341280 /nfs/dbraw/zinc/34/12/80/1028341280.db2.gz UZDXIGNFLWDHDD-UHFFFAOYSA-N 2 0 332.488 3.613 20 30 EHEDRP N#Cc1ccc(N2CCC([NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000423509614 1028479039 /nfs/dbraw/zinc/47/90/39/1028479039.db2.gz LOWNBOAJKCKNRM-JOCHJYFZSA-N 2 0 348.494 3.597 20 30 EHEDRP N#CC1(c2ccccc2)CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423531071 1028485948 /nfs/dbraw/zinc/48/59/48/1028485948.db2.gz QCPICSCGTHOQCE-YGZJECHCSA-N 2 0 345.490 3.736 20 30 EHEDRP N#CCSCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247942626 1028830127 /nfs/dbraw/zinc/83/01/27/1028830127.db2.gz DEEXAXGBDXSLFF-VQTJNVASSA-N 2 0 343.540 3.620 20 30 EHEDRP N#CCCCOc1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683533 1030652592 /nfs/dbraw/zinc/65/25/92/1030652592.db2.gz PORWGGAVOHTCCC-HXUWFJFHSA-N 2 0 341.499 3.677 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCN2C2CCCC2)CC1 ZINC000528015028 1031632436 /nfs/dbraw/zinc/63/24/36/1031632436.db2.gz WQBTUAFSBSGYCD-NJEKYYFSSA-N 2 0 337.511 3.997 20 30 EHEDRP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595058198 1033637742 /nfs/dbraw/zinc/63/77/42/1033637742.db2.gz ZGVVYIJFPWPKQM-GCJKJVERSA-N 2 0 333.479 3.601 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000237567503 1039388704 /nfs/dbraw/zinc/38/87/04/1039388704.db2.gz BZCXWVQCLBUUOR-GOSISDBHSA-N 2 0 337.467 3.589 20 30 EHEDRP CCC[NH+]1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000500108883 1041847652 /nfs/dbraw/zinc/84/76/52/1041847652.db2.gz AAEULBFZDGDRQM-UHFFFAOYSA-N 2 0 325.500 3.855 20 30 EHEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905894 1042313113 /nfs/dbraw/zinc/31/31/13/1042313113.db2.gz UWDRDCVAXSVOMM-UHFFFAOYSA-N 2 0 349.478 3.569 20 30 EHEDRP C=CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000662674351 1042822848 /nfs/dbraw/zinc/82/28/48/1042822848.db2.gz BPRLOISTOKSPEP-OAQYLSRUSA-N 2 0 341.499 3.555 20 30 EHEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001167838680 1043047383 /nfs/dbraw/zinc/04/73/83/1043047383.db2.gz VWKXBKDSWSCNCD-QUCCMNQESA-N 2 0 343.515 3.912 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000073650112 1128719653 /nfs/dbraw/zinc/71/96/53/1128719653.db2.gz RRIFMBLYCGAGMH-UHFFFAOYSA-N 2 0 334.463 3.584 20 30 EHEDRP C=CCOc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000093688580 1125289357 /nfs/dbraw/zinc/28/93/57/1125289357.db2.gz XMNSKINTLMPGCB-UHFFFAOYSA-N 2 0 346.515 3.814 20 30 EHEDRP C=CCOC1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001173308388 1132036988 /nfs/dbraw/zinc/03/69/88/1132036988.db2.gz JUYWLUQWPJOEJR-UHFFFAOYSA-N 2 0 328.500 3.754 20 30 EHEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C#N ZINC001169153800 1132679720 /nfs/dbraw/zinc/67/97/20/1132679720.db2.gz UJXJJISQDXUXJT-PKYUIECSSA-N 2 0 341.503 3.735 20 30 EHEDRP C#CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000769402569 1133278182 /nfs/dbraw/zinc/27/81/82/1133278182.db2.gz KSXLEIRDWJDJMP-JOCHJYFZSA-N 2 0 348.490 3.653 20 30 EHEDRP CCC(CC)C[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775676976 1135503010 /nfs/dbraw/zinc/50/30/10/1135503010.db2.gz FAKUVPIENKIJIM-UHFFFAOYSA-N 2 0 342.531 3.590 20 30 EHEDRP C=C(C)C[NH+]1CCC(NCc2cccc(OC)c2OC(C)C)CC1 ZINC000106246213 1136071045 /nfs/dbraw/zinc/07/10/45/1136071045.db2.gz ARNPHAZVDMVAJB-UHFFFAOYSA-N 2 0 332.488 3.613 20 30 EHEDRP C[C@@]1(C#N)CC[N@H+](CCCCCCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000852686111 1136477987 /nfs/dbraw/zinc/47/79/87/1136477987.db2.gz FYTZAHVJTFGPFM-BGYRXZFFSA-N 2 0 330.520 3.798 20 30 EHEDRP C=CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccncc1 ZINC000817893975 1136844215 /nfs/dbraw/zinc/84/42/15/1136844215.db2.gz JZEWEFWQYPECFN-QKNQBKEWSA-N 2 0 335.451 3.544 20 30 EHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000817987188 1136855521 /nfs/dbraw/zinc/85/55/21/1136855521.db2.gz XLXZAUSWWNKGSV-DZOHQFGASA-N 2 0 334.891 3.857 20 30 EHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000818346999 1136869947 /nfs/dbraw/zinc/86/99/47/1136869947.db2.gz MFZWPMYWPGNRMG-QRFRQXIXSA-N 2 0 346.515 3.779 20 30 EHEDRP C/C(N[C@H]1CCc2cc(Cl)ccc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001171116338 1137209797 /nfs/dbraw/zinc/20/97/97/1137209797.db2.gz NQPNPDMAGVMTQF-FQEVSTJZSA-N 2 0 341.886 3.864 20 30 EHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617377 1137369802 /nfs/dbraw/zinc/36/98/02/1137369802.db2.gz IBSQGRZYWDYZLN-URZJWIJPSA-N 2 0 337.511 3.658 20 30 EHEDRP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866618312 1137370281 /nfs/dbraw/zinc/37/02/81/1137370281.db2.gz YOOIOKSXMHJJAE-LXBDKUERSA-N 2 0 345.490 3.526 20 30 EHEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773078152 1137463701 /nfs/dbraw/zinc/46/37/01/1137463701.db2.gz VFEPCLQUQXJLOH-MOPGFXCFSA-N 2 0 328.500 3.717 20 30 EHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000883191263 1137847928 /nfs/dbraw/zinc/84/79/28/1137847928.db2.gz XYXGZYFYMQFTDG-RBBKRZOGSA-N 2 0 342.527 3.654 20 30 EHEDRP N#CC1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886605316 1138100991 /nfs/dbraw/zinc/10/09/91/1138100991.db2.gz NSJZSSDDCPUSHV-UPVYYXOFSA-N 2 0 337.511 3.959 20 30 EHEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682000 1139924362 /nfs/dbraw/zinc/92/43/62/1139924362.db2.gz UEZPAELBUACGMK-NQIIRXRSSA-N 2 0 333.479 3.773 20 30 EHEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268917399 1141024922 /nfs/dbraw/zinc/02/49/22/1141024922.db2.gz VMWZFXFQKGFNBT-SIKLNZKXSA-N 2 0 341.543 3.670 20 30 EHEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271077736 1141305392 /nfs/dbraw/zinc/30/53/92/1141305392.db2.gz PKAFBDAVMKWHDN-KMFTYDHNSA-N 2 0 325.500 3.712 20 30 EHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(C)(C)C#N)CC1 ZINC000272004666 1029267001 /nfs/dbraw/zinc/26/70/01/1029267001.db2.gz IPUXQEGPBGTDFS-MRXNPFEDSA-N 2 0 346.494 3.558 20 30 EHEDRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000447585007 1030319442 /nfs/dbraw/zinc/31/94/42/1030319442.db2.gz IOGSJIFSMNFLQP-BVOGOJNSSA-N 2 0 325.500 3.959 20 30 EHEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886398 1030765112 /nfs/dbraw/zinc/76/51/12/1030765112.db2.gz OTQPCHJHTHUOGG-TZIWHRDSSA-N 2 0 342.527 3.860 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594961363 1033601217 /nfs/dbraw/zinc/60/12/17/1033601217.db2.gz XVJBEIMUBAUGEP-IBGZPJMESA-N 2 0 325.500 3.699 20 30 EHEDRP CC(C)(C#N)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000595000088 1033626692 /nfs/dbraw/zinc/62/66/92/1033626692.db2.gz BZXWKAHWSHGGGJ-UHFFFAOYSA-N 2 0 325.500 3.699 20 30 EHEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055703 1033631853 /nfs/dbraw/zinc/63/18/53/1033631853.db2.gz HVAKFDXFVVFRIV-IBGZPJMESA-N 2 0 347.506 3.786 20 30 EHEDRP C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000595089952 1033698656 /nfs/dbraw/zinc/69/86/56/1033698656.db2.gz ARDGHNVYSWWBQQ-KRWDZBQOSA-N 2 0 329.488 3.752 20 30 EHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)cc1OC ZINC000599662190 1034072537 /nfs/dbraw/zinc/07/25/37/1034072537.db2.gz ZGNXFVABICXJLF-UHFFFAOYSA-N 2 0 337.467 3.651 20 30 EHEDRP C=CCC1([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000668551206 1039580099 /nfs/dbraw/zinc/58/00/99/1039580099.db2.gz HZQKPBIRSPOLIG-LJQANCHMSA-N 2 0 342.527 3.797 20 30 EHEDRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466716 1040287691 /nfs/dbraw/zinc/28/76/91/1040287691.db2.gz SELLKUZPVFUBOK-SJLPKXTDSA-N 2 0 337.442 3.870 20 30 EHEDRP C=CCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000177910017 1042816105 /nfs/dbraw/zinc/81/61/05/1042816105.db2.gz HTMQPNLJMHTPEQ-GFCCVEGCSA-N 2 0 341.268 3.889 20 30 EHEDRP COc1cccc(NC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000178567596 1044625988 /nfs/dbraw/zinc/62/59/88/1044625988.db2.gz JILVDLOGBNXHKN-HNNXBMFYSA-N 2 0 340.471 3.551 20 30 EHEDRP C=CCN1CCC([NH2+][C@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902796302 1128401734 /nfs/dbraw/zinc/40/17/34/1128401734.db2.gz OYVLIZBDCGYLEK-JOCHJYFZSA-N 2 0 335.495 3.996 20 30 EHEDRP C[N@@H+]1CCC[C@H](CNCc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775556 1128751139 /nfs/dbraw/zinc/75/11/39/1128751139.db2.gz GDLAPCTWXKCOOQ-PBHICJAKSA-N 2 0 331.510 3.854 20 30 EHEDRP CC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154983 1128905520 /nfs/dbraw/zinc/90/55/20/1128905520.db2.gz SNKMQDIIBHECMA-QFIPXVFZSA-N 2 0 333.479 3.902 20 30 EHEDRP C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309763648 1128914671 /nfs/dbraw/zinc/91/46/71/1128914671.db2.gz FKZRAMJGUSZVBB-MAUKXSAKSA-N 2 0 325.481 3.620 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)[N@@H+]2CCCC[C@H]2C)c(O)c1 ZINC000915271142 1121292230 /nfs/dbraw/zinc/29/22/30/1121292230.db2.gz LJAKIMZAWUKYMT-GPNJXQOMSA-N 2 0 331.504 3.920 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000152992364 1125413435 /nfs/dbraw/zinc/41/34/35/1125413435.db2.gz ZYOKPPFWYXGPHX-WIYYLYMNSA-N 2 0 333.564 3.660 20 30 EHEDRP C=CCc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc(OC)c1O ZINC000922846654 1129689581 /nfs/dbraw/zinc/68/95/81/1129689581.db2.gz FBNUBVNQGCGIKO-UHFFFAOYSA-N 2 0 344.499 3.626 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000246028839 1130337537 /nfs/dbraw/zinc/33/75/37/1130337537.db2.gz PELAGZWEZAEHQF-OEWRPIJISA-N 2 0 333.479 3.804 20 30 EHEDRP CC(C)OCC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172445590 1131744616 /nfs/dbraw/zinc/74/46/16/1131744616.db2.gz SDSOQEJMMDZQCA-DUXKGJEZSA-N 2 0 343.515 3.834 20 30 EHEDRP C=CCOC1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173323151 1132045203 /nfs/dbraw/zinc/04/52/03/1132045203.db2.gz QQVXIEQCSBTSPF-FDRBHKFBSA-N 2 0 340.511 3.564 20 30 EHEDRP CC[C@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195986 1134711924 /nfs/dbraw/zinc/71/19/24/1134711924.db2.gz QZQLLIKDYYNPHS-NCYKPQTJSA-N 2 0 341.499 3.588 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000113329476 1136697356 /nfs/dbraw/zinc/69/73/56/1136697356.db2.gz METZFIHIRYLLOY-UHFFFAOYSA-N 2 0 336.479 3.829 20 30 EHEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000865716934 1137306253 /nfs/dbraw/zinc/30/62/53/1137306253.db2.gz IPVXGAMNPMHNHD-UHFFFAOYSA-N 2 0 343.515 3.969 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172312798 1137546181 /nfs/dbraw/zinc/54/61/81/1137546181.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 2 0 345.490 3.553 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172311845 1137546203 /nfs/dbraw/zinc/54/62/03/1137546203.db2.gz ZHBQCRZXQJKVFC-QMMLZNLJSA-N 2 0 325.500 3.828 20 30 EHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173393 1137847244 /nfs/dbraw/zinc/84/72/44/1137847244.db2.gz KAWSVIJDJJCCJZ-BNDYYXHWSA-N 2 0 326.484 3.541 20 30 EHEDRP CC[NH+](CC)CCCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337179697 1138487256 /nfs/dbraw/zinc/48/72/56/1138487256.db2.gz AEJVKQYQYVGCFD-UHFFFAOYSA-N 2 0 349.563 3.921 20 30 EHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181511346 1139911408 /nfs/dbraw/zinc/91/14/08/1139911408.db2.gz WEQLFKGIEGCPFV-MSOLQXFVSA-N 2 0 329.488 3.752 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000185803852 1140170981 /nfs/dbraw/zinc/17/09/81/1140170981.db2.gz VWEAXBIBBQREJS-PMACEKPBSA-N 2 0 341.499 3.579 20 30 EHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185854645 1140173841 /nfs/dbraw/zinc/17/38/41/1140173841.db2.gz PVHGEPLDNOCXLW-QGZVKYPTSA-N 2 0 325.500 3.815 20 30 EHEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266966805 1140744747 /nfs/dbraw/zinc/74/47/47/1140744747.db2.gz BUSSCRARGWJNGS-INIZCTEOSA-N 2 0 338.455 3.547 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000135244585 1032096048 /nfs/dbraw/zinc/09/60/48/1032096048.db2.gz CQEXOCZUKMJJQX-LJQANCHMSA-N 2 0 325.500 3.938 20 30 EHEDRP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544251 1032953162 /nfs/dbraw/zinc/95/31/62/1032953162.db2.gz GQODPIHHVZCBIZ-ROUUACIJSA-N 2 0 335.536 3.576 20 30 EHEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602716171 1033103171 /nfs/dbraw/zinc/10/31/71/1033103171.db2.gz ADXAGUNPGFIZIE-ICSRJNTNSA-N 2 0 325.500 3.818 20 30 EHEDRP C=CCOc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683649 1030652104 /nfs/dbraw/zinc/65/21/04/1030652104.db2.gz CFICKNBULLUBBX-LJQANCHMSA-N 2 0 344.499 3.568 20 30 EHEDRP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176993106 1031510832 /nfs/dbraw/zinc/51/08/32/1031510832.db2.gz AMUJAQSVRNGNNB-UHFFFAOYSA-N 2 0 340.515 3.533 20 30 EHEDRP C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1O ZINC000173429631 1033326863 /nfs/dbraw/zinc/32/68/63/1033326863.db2.gz GOTKMAUTPRNTOZ-KRWDZBQOSA-N 2 0 346.515 3.683 20 30 EHEDRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000594502243 1033403953 /nfs/dbraw/zinc/40/39/53/1033403953.db2.gz LDMDWHBOUDMJJC-UHFFFAOYSA-N 2 0 339.458 3.978 20 30 EHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919290 1033544070 /nfs/dbraw/zinc/54/40/70/1033544070.db2.gz HHHCOBAJGJZUGZ-UHFFFAOYSA-N 2 0 333.479 3.983 20 30 EHEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000122100540 1034378687 /nfs/dbraw/zinc/37/86/87/1034378687.db2.gz LGQFYRHAPOVHED-SFHVURJKSA-N 2 0 343.515 3.690 20 30 EHEDRP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520456 1039191924 /nfs/dbraw/zinc/19/19/24/1039191924.db2.gz ZDDQCUOAILMSCR-FYZZASKESA-N 2 0 325.500 3.817 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)cc1 ZINC000236913362 1040152879 /nfs/dbraw/zinc/15/28/79/1040152879.db2.gz QITIJWWQKKBSIP-UHFFFAOYSA-N 2 0 336.479 3.830 20 30 EHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000153577277 1128464132 /nfs/dbraw/zinc/46/41/32/1128464132.db2.gz WDVZHENLVFYGES-QZTJIDSGSA-N 2 0 333.479 3.804 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245952723 1130334604 /nfs/dbraw/zinc/33/46/04/1130334604.db2.gz CFTLICHITJUPQT-SFTDATJTSA-N 2 0 331.463 3.942 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000733324548 1131025366 /nfs/dbraw/zinc/02/53/66/1131025366.db2.gz JIBPQKJIVNXUMX-RTBURBONSA-N 2 0 328.500 3.546 20 30 EHEDRP C#CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000733325814 1131026636 /nfs/dbraw/zinc/02/66/36/1131026636.db2.gz UBLNTSNTRYORLD-UHFFFAOYSA-N 2 0 348.490 3.700 20 30 EHEDRP C=CCc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC001179277679 1133242795 /nfs/dbraw/zinc/24/27/95/1133242795.db2.gz LYTRPJTZSYZCIO-UHFFFAOYSA-N 2 0 346.515 3.729 20 30 EHEDRP C=CCOc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1OC ZINC000073650524 1134008696 /nfs/dbraw/zinc/00/86/96/1134008696.db2.gz CAOULOYNZFTVGS-UHFFFAOYSA-N 2 0 340.467 3.611 20 30 EHEDRP N#CC[C@H]1CCC[N@H+](CCCCCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000852318810 1136447843 /nfs/dbraw/zinc/44/78/43/1136447843.db2.gz CBIMIMYPNVWYKP-BGYRXZFFSA-N 2 0 330.520 3.798 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000113317917 1136694491 /nfs/dbraw/zinc/69/44/91/1136694491.db2.gz NHLDTKFWVFWUBM-UHFFFAOYSA-N 2 0 348.490 3.974 20 30 EHEDRP C/C(N[C@@H]1CCc2cc(Cl)ccc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001171116339 1137209773 /nfs/dbraw/zinc/20/97/73/1137209773.db2.gz NQPNPDMAGVMTQF-HXUWFJFHSA-N 2 0 341.886 3.864 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1F ZINC000716672061 1137488279 /nfs/dbraw/zinc/48/82/79/1137488279.db2.gz SNIOEIAVIRLVLS-JBACZVJFSA-N 2 0 349.453 3.840 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172305390 1137545445 /nfs/dbraw/zinc/54/54/45/1137545445.db2.gz RYXOLWGNTVBZAN-SFHVURJKSA-N 2 0 337.511 3.830 20 30 EHEDRP COc1ccc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1C#N ZINC000131072307 1137846028 /nfs/dbraw/zinc/84/60/28/1137846028.db2.gz GZJVFJXAAPHKIA-UHFFFAOYSA-N 2 0 341.499 3.700 20 30 EHEDRP C[NH+](C/C=C/C[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000052580247 1138046134 /nfs/dbraw/zinc/04/61/34/1138046134.db2.gz LYQQUVGVIUEEOE-ONEGZZNKSA-N 2 0 344.462 3.550 20 30 EHEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000269456848 1141111021 /nfs/dbraw/zinc/11/10/21/1141111021.db2.gz XEDQBABPMHDJSC-UHFFFAOYSA-N 2 0 337.442 3.973 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459729986 1032434688 /nfs/dbraw/zinc/43/46/88/1032434688.db2.gz LEVFRCDIDZSEFR-VAMGGRTRSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602574377 1032984204 /nfs/dbraw/zinc/98/42/04/1032984204.db2.gz ZONQYPGTLCYZKA-MOPGFXCFSA-N 2 0 343.515 3.586 20 30 EHEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000602606743 1033024344 /nfs/dbraw/zinc/02/43/44/1033024344.db2.gz GLHQOEOPPNCELW-CWJKEVGVSA-N 2 0 325.500 3.817 20 30 EHEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808575 1023660226 /nfs/dbraw/zinc/66/02/26/1023660226.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 2 0 326.484 3.700 20 30 EHEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187707300 1024387551 /nfs/dbraw/zinc/38/75/51/1024387551.db2.gz VVNYOORJVUNUAI-GOSISDBHSA-N 2 0 343.515 3.690 20 30 EHEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000611586649 1025899877 /nfs/dbraw/zinc/89/98/77/1025899877.db2.gz GTUNYTZDEZURHI-DNVJHFABSA-N 2 0 345.490 3.949 20 30 EHEDRP C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129649877 1027586127 /nfs/dbraw/zinc/58/61/27/1027586127.db2.gz QGFDUQSYNVZVKE-RBBFLIRBSA-N 2 0 337.511 3.853 20 30 EHEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688190 1029007701 /nfs/dbraw/zinc/00/77/01/1029007701.db2.gz AYIDSWXLPMIHFO-PXNSSMCTSA-N 2 0 329.488 3.531 20 30 EHEDRP CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(C#N)cc1 ZINC000278276727 1029910150 /nfs/dbraw/zinc/91/01/50/1029910150.db2.gz PMXUFDXEFJPHDU-JOCHJYFZSA-N 2 0 349.478 3.631 20 30 EHEDRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278339122 1030247001 /nfs/dbraw/zinc/24/70/01/1030247001.db2.gz XGIJMWBTFFMMMM-NRFANRHFSA-N 2 0 337.467 3.740 20 30 EHEDRP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886396 1030765205 /nfs/dbraw/zinc/76/52/05/1030765205.db2.gz OTQPCHJHTHUOGG-FPOVZHCZSA-N 2 0 342.527 3.860 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237496345 1031371382 /nfs/dbraw/zinc/37/13/82/1031371382.db2.gz FORUFPXQGFQKFA-IBGZPJMESA-N 2 0 328.500 3.690 20 30 EHEDRP CC(CC[NH+]1CCC[C@H](CC#N)C1)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595622892 1033905934 /nfs/dbraw/zinc/90/59/34/1033905934.db2.gz FKONODJINZBSLC-WOJBJXKFSA-N 2 0 330.520 3.654 20 30 EHEDRP COc1ccc(C#N)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605956 1036677286 /nfs/dbraw/zinc/67/72/86/1036677286.db2.gz WMILLHIBNPQCAB-UHFFFAOYSA-N 2 0 341.499 3.655 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000236699485 1041307729 /nfs/dbraw/zinc/30/77/29/1041307729.db2.gz JCMRYYOCBRAHAQ-GOSISDBHSA-N 2 0 329.488 3.579 20 30 EHEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000602019158 1042656424 /nfs/dbraw/zinc/65/64/24/1042656424.db2.gz CVUXPSUYVNUMRQ-OBXNSHGQSA-N 2 0 325.500 3.758 20 30 EHEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001167838178 1043047721 /nfs/dbraw/zinc/04/77/21/1043047721.db2.gz RFWITZHAAGMPHO-WIYYLYMNSA-N 2 0 343.515 3.912 20 30 EHEDRP C=CCC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000542671813 1128467582 /nfs/dbraw/zinc/46/75/82/1128467582.db2.gz WEEFWIAQNIQMHK-FQEVSTJZSA-N 2 0 329.532 3.842 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248862264 1124709474 /nfs/dbraw/zinc/70/94/74/1124709474.db2.gz PVHGEPLDNOCXLW-ZVXZJYCBSA-N 2 0 325.500 3.815 20 30 EHEDRP N#CC1CCC(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000619655148 1125378767 /nfs/dbraw/zinc/37/87/67/1125378767.db2.gz AOWOVRKWNQKVKE-UHFFFAOYSA-N 2 0 341.499 3.581 20 30 EHEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@@H+]1C ZINC000766107930 1130322417 /nfs/dbraw/zinc/32/24/17/1130322417.db2.gz JIIHEMSKMQZZJU-PBHICJAKSA-N 2 0 325.481 3.859 20 30 EHEDRP N#CCC1CCC([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CC1 ZINC001173334323 1132051867 /nfs/dbraw/zinc/05/18/67/1132051867.db2.gz VKDNCOIVUKABBK-UHFFFAOYSA-N 2 0 329.463 3.634 20 30 EHEDRP C=CCOC1CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317967 1132059564 /nfs/dbraw/zinc/05/95/64/1132059564.db2.gz SBYMZLJXKYDKLQ-SNXBXODESA-N 2 0 343.515 3.667 20 30 EHEDRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C1CCC(C)(C#N)CC1)[C@H]2C ZINC001173595285 1132099825 /nfs/dbraw/zinc/09/98/25/1132099825.db2.gz WHWSESXSCHALCZ-VXESANQCSA-N 2 0 343.519 3.572 20 30 EHEDRP CC[C@@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195989 1134712098 /nfs/dbraw/zinc/71/20/98/1134712098.db2.gz QZQLLIKDYYNPHS-XSDIEEQYSA-N 2 0 341.499 3.588 20 30 EHEDRP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000865846936 1137316191 /nfs/dbraw/zinc/31/61/91/1137316191.db2.gz BGNXBTXQPQQXML-VSDWSMLSSA-N 2 0 345.490 3.668 20 30 EHEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271065761 1141303855 /nfs/dbraw/zinc/30/38/55/1141303855.db2.gz JCOFRNGHZROXTF-YZDRJCRTSA-N 2 0 325.500 3.853 20 30 EHEDRP C[C@H]1CCCCN1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507653479 1021417711 /nfs/dbraw/zinc/41/77/11/1021417711.db2.gz LYEGVVMVZZOOKB-PELRDEGISA-N 2 0 325.500 3.855 20 30 EHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000421328434 1028272603 /nfs/dbraw/zinc/27/26/03/1028272603.db2.gz SJVYCDDICCZDML-UHFFFAOYSA-N 2 0 343.471 3.761 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000278437598 1030836178 /nfs/dbraw/zinc/83/61/78/1030836178.db2.gz KCVFWJLNRBXKKC-UHFFFAOYSA-N 2 0 337.511 3.855 20 30 EHEDRP N#Cc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000595055483 1033632569 /nfs/dbraw/zinc/63/25/69/1033632569.db2.gz FRJVCLQXKQFKNL-NUNAXRQHSA-N 2 0 345.490 3.886 20 30 EHEDRP N#CCc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997745 1036607412 /nfs/dbraw/zinc/60/74/12/1036607412.db2.gz QQECZSSPIGDBPY-PKTZIBPZSA-N 2 0 345.490 3.707 20 30 EHEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001167833506 1043006163 /nfs/dbraw/zinc/00/61/63/1043006163.db2.gz CDMGLAHWYRLRHR-WIYYLYMNSA-N 2 0 343.515 3.912 20 30 EHEDRP N#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000111391295 1128864008 /nfs/dbraw/zinc/86/40/08/1128864008.db2.gz KCSOOIAFFVKREO-FRIKZZABSA-N 2 0 331.463 3.843 20 30 EHEDRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013382 1121612298 /nfs/dbraw/zinc/61/22/98/1121612298.db2.gz WHOZTOIHPPCHBQ-XMSQKQJNSA-N 2 0 333.479 3.867 20 30 EHEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000282125583 1121846980 /nfs/dbraw/zinc/84/69/80/1121846980.db2.gz BBTSAWYMTNMOFU-MMHUWFFVSA-N 2 0 337.511 3.817 20 30 EHEDRP C=CC[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](CC=C)C3)c2)C1 ZINC000625701030 1129985894 /nfs/dbraw/zinc/98/58/94/1129985894.db2.gz GKONBKQIYJKMOH-OALUTQOASA-N 2 0 325.500 3.878 20 30 EHEDRP CCCCCCCC[C@H](CC)[NH2+]CCCOCCOCCC[NH3+] ZINC001172501276 1131761456 /nfs/dbraw/zinc/76/14/56/1131761456.db2.gz AYZHSGURJLOWTP-IBGZPJMESA-N 2 0 330.557 3.877 20 30 EHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC3(CCCC3)CC2)CC1 ZINC001172730331 1131827431 /nfs/dbraw/zinc/82/74/31/1131827431.db2.gz DQCMIIRTLMYPEF-UHFFFAOYSA-N 2 0 345.575 3.781 20 30 EHEDRP CC1(C#N)CCC([N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594465 1132099601 /nfs/dbraw/zinc/09/96/01/1132099601.db2.gz DTYXCFNDKRWZIX-WPZCVXBKSA-N 2 0 344.528 3.512 20 30 EHEDRP CCCCCCCCC[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001201846081 1136070057 /nfs/dbraw/zinc/07/00/57/1136070057.db2.gz CVLSGLYRZBHHJR-UHFFFAOYSA-N 2 0 343.519 3.737 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001171194983 1137301471 /nfs/dbraw/zinc/30/14/71/1137301471.db2.gz OATJDGKPWJXRIY-QGZVFWFLSA-N 2 0 325.500 3.733 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001171196297 1137303471 /nfs/dbraw/zinc/30/34/71/1137303471.db2.gz YEHGTNFXZGVAQN-SFHVURJKSA-N 2 0 339.527 3.981 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201121 1137317272 /nfs/dbraw/zinc/31/72/72/1137317272.db2.gz IFGVCTSYMKCBME-HSQYWUDLSA-N 2 0 348.494 3.656 20 30 EHEDRP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866618310 1137369852 /nfs/dbraw/zinc/36/98/52/1137369852.db2.gz YOOIOKSXMHJJAE-HYVJGQCMSA-N 2 0 345.490 3.526 20 30 EHEDRP CC(C)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC1CC[NH+](C)CC1 ZINC000877767454 1137688996 /nfs/dbraw/zinc/68/89/96/1137688996.db2.gz KAYDFFSOSILURS-GOSISDBHSA-N 2 0 343.515 3.777 20 30 EHEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1Cc2ccccc2O1 ZINC000883227412 1137849426 /nfs/dbraw/zinc/84/94/26/1137849426.db2.gz QCQSLNDTPLSUJF-PYEZFCHVSA-N 2 0 326.484 3.540 20 30 EHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181511368 1139911625 /nfs/dbraw/zinc/91/16/25/1139911625.db2.gz WEQLFKGIEGCPFV-ROUUACIJSA-N 2 0 329.488 3.752 20 30 EHEDRP C=CCN1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449121453 1032212853 /nfs/dbraw/zinc/21/28/53/1032212853.db2.gz HRTFIDNBRAJCDK-UHFFFAOYSA-N 2 0 335.580 3.906 20 30 EHEDRP CCC1(C[NH2+]Cc2ccc(C#N)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000538428622 1032357566 /nfs/dbraw/zinc/35/75/66/1032357566.db2.gz BVXXCPVUIDMXHQ-UHFFFAOYSA-N 2 0 337.467 3.933 20 30 EHEDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000513507149 1019749926 /nfs/dbraw/zinc/74/99/26/1019749926.db2.gz TUPQQVWOJVHUDH-XMSQKQJNSA-N 2 0 333.479 3.949 20 30 EHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535975 1032967255 /nfs/dbraw/zinc/96/72/55/1032967255.db2.gz UIWKWMPMPSACMO-AZUAARDMSA-N 2 0 347.547 3.720 20 30 EHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015605 1024780137 /nfs/dbraw/zinc/78/01/37/1024780137.db2.gz BWRJDQYEPQLRAT-PGRDOPGGSA-N 2 0 333.479 3.753 20 30 EHEDRP c1ccc(NC(=[NH+]C2CC([NH+]3CCCCC3)C2)N2CCCCC2)cc1 ZINC000262422349 1026110518 /nfs/dbraw/zinc/11/05/18/1026110518.db2.gz BNXKFGHZGISFGJ-UHFFFAOYSA-N 2 0 340.515 3.957 20 30 EHEDRP C[NH+](C)CC1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000119888777 1026414495 /nfs/dbraw/zinc/41/44/95/1026414495.db2.gz NBVIFCZPUYUNJC-UHFFFAOYSA-N 2 0 329.488 3.579 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000237671094 1027922870 /nfs/dbraw/zinc/92/28/70/1027922870.db2.gz OWUSGPDUEDBCAN-LJQANCHMSA-N 2 0 328.500 3.833 20 30 EHEDRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423038451 1028144159 /nfs/dbraw/zinc/14/41/59/1028144159.db2.gz YUBLTJOJSJAZFU-IERDGZPVSA-N 2 0 337.467 3.630 20 30 EHEDRP C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(C#N)cc1F ZINC000237132458 1028918657 /nfs/dbraw/zinc/91/86/57/1028918657.db2.gz OBWIVKSGWPCNBW-UHFFFAOYSA-N 2 0 339.458 3.945 20 30 EHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000424297031 1028938292 /nfs/dbraw/zinc/93/82/92/1028938292.db2.gz PPFNDNYAHXIYKP-MNVIUDHYSA-N 2 0 340.511 3.610 20 30 EHEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152204 1029363672 /nfs/dbraw/zinc/36/36/72/1029363672.db2.gz AERBCPIYSZUXNQ-QMMLZNLJSA-N 2 0 343.515 3.736 20 30 EHEDRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000447585006 1030317342 /nfs/dbraw/zinc/31/73/42/1030317342.db2.gz IOGSJIFSMNFLQP-AYWYSENESA-N 2 0 325.500 3.959 20 30 EHEDRP C[N@H+](CCCC(C)(C)C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821044 1030524178 /nfs/dbraw/zinc/52/41/78/1030524178.db2.gz JHEXMKSJCFTAJY-UHFFFAOYSA-N 2 0 328.504 3.950 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000152992255 1030890343 /nfs/dbraw/zinc/89/03/43/1030890343.db2.gz ZYOKPPFWYXGPHX-RXVVDRJESA-N 2 0 333.564 3.660 20 30 EHEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323754 1033741784 /nfs/dbraw/zinc/74/17/84/1033741784.db2.gz OPENWRJYUGPWIR-WIYYLYMNSA-N 2 0 325.500 3.687 20 30 EHEDRP C[NH+](C)C1CCC([NH+]2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001168328648 1034188711 /nfs/dbraw/zinc/18/87/11/1034188711.db2.gz AOSLNGPOPMPFMU-UHFFFAOYSA-N 2 0 329.463 3.556 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000589336425 1036349144 /nfs/dbraw/zinc/34/91/44/1036349144.db2.gz DNKNISPHNHCNCM-FVJLSDCUSA-N 2 0 325.500 3.893 20 30 EHEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000540182268 1037666226 /nfs/dbraw/zinc/66/62/26/1037666226.db2.gz SGFBDXODMMWQOL-ACAXCVFMSA-N 2 0 341.499 3.568 20 30 EHEDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858161 1128740562 /nfs/dbraw/zinc/74/05/62/1128740562.db2.gz UKZCAWFHVVVSGR-IBGZPJMESA-N 2 0 333.479 3.999 20 30 EHEDRP C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309763651 1128914386 /nfs/dbraw/zinc/91/43/86/1128914386.db2.gz FKZRAMJGUSZVBB-YJBOKZPZSA-N 2 0 325.481 3.620 20 30 EHEDRP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120753 1128982294 /nfs/dbraw/zinc/98/22/94/1128982294.db2.gz HBIDSQLNGJEBEX-YADHBBJMSA-N 2 0 331.463 3.512 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]\C2CC(C)(C)[NH2+]C(C)(C)C2)c(O)c1 ZINC000920946247 1123441822 /nfs/dbraw/zinc/44/18/22/1123441822.db2.gz WIEGVPUHMNSNJK-STZFKDTASA-N 2 0 331.504 3.967 20 30 EHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000134214631 1123502374 /nfs/dbraw/zinc/50/23/74/1123502374.db2.gz RSKVXXIOVZVWJC-UHFFFAOYSA-N 2 0 344.499 3.568 20 30 EHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309455 1131333686 /nfs/dbraw/zinc/33/36/86/1131333686.db2.gz OLHDDUQMYMKSDS-UHFFFAOYSA-N 2 0 349.906 3.795 20 30 EHEDRP C=CCSc1nc2ccccc2n1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000738077328 1131460318 /nfs/dbraw/zinc/46/03/18/1131460318.db2.gz SIMZWNYQENGUPS-UHFFFAOYSA-N 2 0 344.528 3.546 20 30 EHEDRP N#CCC1CCC([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CC1 ZINC001173333308 1132050334 /nfs/dbraw/zinc/05/03/34/1132050334.db2.gz JSPNHCPGVVKVPU-UHFFFAOYSA-N 2 0 329.463 3.634 20 30 EHEDRP C=CCCCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001178545991 1133178123 /nfs/dbraw/zinc/17/81/23/1133178123.db2.gz GYQGNEKPQCQPIM-UHFFFAOYSA-N 2 0 326.387 3.516 20 30 EHEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001179015930 1133221830 /nfs/dbraw/zinc/22/18/30/1133221830.db2.gz REFFJCFNHILVHE-IRLDBZIGSA-N 2 0 336.479 3.686 20 30 EHEDRP C=C(C)CN1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774992360 1134190355 /nfs/dbraw/zinc/19/03/55/1134190355.db2.gz PWWCSYQZNRGGAS-UHFFFAOYSA-N 2 0 337.305 3.888 20 30 EHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC001202365954 1136134217 /nfs/dbraw/zinc/13/42/17/1136134217.db2.gz HVHPBNWXQGOGIS-IEBWSBKVSA-N 2 0 328.500 3.994 20 30 EHEDRP C=CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCCC1 ZINC001202407606 1136137463 /nfs/dbraw/zinc/13/74/63/1136137463.db2.gz JVFCVSYKTOYJQR-UHFFFAOYSA-N 2 0 327.516 3.807 20 30 EHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000817987190 1136855273 /nfs/dbraw/zinc/85/52/73/1136855273.db2.gz XLXZAUSWWNKGSV-XOYOTBSWSA-N 2 0 334.891 3.857 20 30 EHEDRP C/C(N[C@@H]1CCc2cccc(Cl)c2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001170913635 1136887323 /nfs/dbraw/zinc/88/73/23/1136887323.db2.gz GVCONKNFGJICDD-GOSISDBHSA-N 2 0 341.886 3.864 20 30 EHEDRP CC1(C)C[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972770 1137523998 /nfs/dbraw/zinc/52/39/98/1137523998.db2.gz SJPSRNKBQFEOCW-FQEVSTJZSA-N 2 0 346.478 3.707 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319103 1137546725 /nfs/dbraw/zinc/54/67/25/1137546725.db2.gz KZXIUSIECAXFPK-XXBNENTESA-N 2 0 347.506 3.943 20 30 EHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000449179735 1032294041 /nfs/dbraw/zinc/29/40/41/1032294041.db2.gz WQVCOPZGFMXBAG-SFHVURJKSA-N 2 0 330.516 3.868 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729969 1032434849 /nfs/dbraw/zinc/43/48/49/1032434849.db2.gz LEVFRCDIDZSEFR-HSALFYBXSA-N 2 0 325.500 3.817 20 30 EHEDRP C=CCc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc(OC)c1O ZINC000415059961 1017486599 /nfs/dbraw/zinc/48/65/99/1017486599.db2.gz VQEOTPNAZLXYPT-IBGZPJMESA-N 2 0 340.467 3.699 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470719 1032911422 /nfs/dbraw/zinc/91/14/22/1032911422.db2.gz FISXSLMEXMQHRX-PCCBWWKXSA-N 2 0 331.463 3.703 20 30 EHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)CC1 ZINC001279490457 1020867649 /nfs/dbraw/zinc/86/76/49/1020867649.db2.gz OZVOYQYQKNJEEB-OAQYLSRUSA-N 2 0 345.575 3.639 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCC(C#N)CC3)CC2)cc1 ZINC000602535355 1032968735 /nfs/dbraw/zinc/96/87/35/1032968735.db2.gz ZDCMERDNZQBJMM-UHFFFAOYSA-N 2 0 341.499 3.579 20 30 EHEDRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000443986892 1025160794 /nfs/dbraw/zinc/16/07/94/1025160794.db2.gz GJONNWFTIFOJDA-UHFFFAOYSA-N 2 0 333.479 3.869 20 30 EHEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000442777932 1025469308 /nfs/dbraw/zinc/46/93/08/1025469308.db2.gz GOIHQTIUQICYDT-SJLPKXTDSA-N 2 0 331.891 3.834 20 30 EHEDRP C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129650497 1027585812 /nfs/dbraw/zinc/58/58/12/1027585812.db2.gz QGFDUQSYNVZVKE-ROFGYTOFSA-N 2 0 337.511 3.853 20 30 EHEDRP C=CCC[C@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccc1 ZINC000422991525 1028099220 /nfs/dbraw/zinc/09/92/20/1028099220.db2.gz BLDBZIWSIXRMTH-MJGOQNOKSA-N 2 0 344.499 3.605 20 30 EHEDRP N#CCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422994257 1028101006 /nfs/dbraw/zinc/10/10/06/1028101006.db2.gz HFDSVWUDQICEDV-TUNNFDKTSA-N 2 0 347.462 3.877 20 30 EHEDRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423038457 1028143615 /nfs/dbraw/zinc/14/36/15/1028143615.db2.gz YUBLTJOJSJAZFU-KKSFZXQISA-N 2 0 337.467 3.630 20 30 EHEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424323471 1028971424 /nfs/dbraw/zinc/97/14/24/1028971424.db2.gz JEFRZBUOYHQPPG-QMCAAQAGSA-N 2 0 337.511 3.959 20 30 EHEDRP C#CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246483149 1030512104 /nfs/dbraw/zinc/51/21/04/1030512104.db2.gz OXUMRRBQDXBZHD-SIKLNZKXSA-N 2 0 338.495 3.537 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000060948623 1030713552 /nfs/dbraw/zinc/71/35/52/1030713552.db2.gz QPAFXMWBZHKBEM-GOSISDBHSA-N 2 0 346.515 3.862 20 30 EHEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977823 1032057129 /nfs/dbraw/zinc/05/71/29/1032057129.db2.gz WMZGNJRATFNDAW-QDLKPRKASA-N 2 0 341.499 3.567 20 30 EHEDRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372419 1033891172 /nfs/dbraw/zinc/89/11/72/1033891172.db2.gz JLUKGHSGEAKPQM-GCJKJVERSA-N 2 0 333.479 3.867 20 30 EHEDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372421 1033891958 /nfs/dbraw/zinc/89/19/58/1033891958.db2.gz JLUKGHSGEAKPQM-XMSQKQJNSA-N 2 0 333.479 3.867 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000414159217 1035813541 /nfs/dbraw/zinc/81/35/41/1035813541.db2.gz AZWMYTYGXZKUCW-ZCNNSNEGSA-N 2 0 325.500 3.959 20 30 EHEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000594722867 1036175187 /nfs/dbraw/zinc/17/51/87/1036175187.db2.gz UPKKQTJJSBCIPA-QGZVFWFLSA-N 2 0 334.467 3.516 20 30 EHEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000540182270 1037666212 /nfs/dbraw/zinc/66/62/12/1037666212.db2.gz SGFBDXODMMWQOL-SGZDXZSOSA-N 2 0 341.499 3.568 20 30 EHEDRP Cc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1C#N ZINC000341258780 1037861723 /nfs/dbraw/zinc/86/17/23/1037861723.db2.gz BNVCWOMCYYAFRU-UHFFFAOYSA-N 2 0 349.478 3.630 20 30 EHEDRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000278886471 1042838134 /nfs/dbraw/zinc/83/81/34/1042838134.db2.gz YHHDJMSYQWEOHU-HXUWFJFHSA-N 2 0 337.467 3.740 20 30 EHEDRP C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000282218094 1128093776 /nfs/dbraw/zinc/09/37/76/1128093776.db2.gz HUCCAHFRPUPPON-AOCRQIFASA-N 2 0 329.488 3.608 20 30 EHEDRP C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000282218102 1128093989 /nfs/dbraw/zinc/09/39/89/1128093989.db2.gz HUCCAHFRPUPPON-WWDZGPRUSA-N 2 0 329.488 3.608 20 30 EHEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000192125748 1120717121 /nfs/dbraw/zinc/71/71/21/1120717121.db2.gz LIKORCKKTYADHD-UHFFFAOYSA-N 2 0 329.463 3.785 20 30 EHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000921960534 1128976110 /nfs/dbraw/zinc/97/61/10/1128976110.db2.gz HGRHDGFJOVVGSK-UHFFFAOYSA-N 2 0 334.467 3.576 20 30 EHEDRP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720171 1129714973 /nfs/dbraw/zinc/71/49/73/1129714973.db2.gz PCALBSOCBNYFOC-UWJYYQICSA-N 2 0 349.478 3.567 20 30 EHEDRP C=CC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019118 1129804099 /nfs/dbraw/zinc/80/40/99/1129804099.db2.gz KDOZJEUUFDEUSF-UTKZUKDTSA-N 2 0 339.483 3.990 20 30 EHEDRP COc1cccc(C[N@H+]([C@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172494008 1131757251 /nfs/dbraw/zinc/75/72/51/1131757251.db2.gz XGHBGNOMQSWMBL-BHIYHBOVSA-N 2 0 329.488 3.849 20 30 EHEDRP N#CCC1CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173333438 1132049895 /nfs/dbraw/zinc/04/98/95/1132049895.db2.gz LNTAIGQYOVUAJE-YAEFEIELSA-N 2 0 326.488 3.626 20 30 EHEDRP COc1cccc(CC2([NH3+])CC[NH+](C3CCC(CC#N)CC3)CC2)c1 ZINC001173332158 1132050575 /nfs/dbraw/zinc/05/05/75/1132050575.db2.gz ITOYPEWPRBYUNX-UHFFFAOYSA-N 2 0 341.499 3.503 20 30 EHEDRP CCC[NH+](CCC)CCCN1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173341542 1132055629 /nfs/dbraw/zinc/05/56/29/1132055629.db2.gz ZFQHKQGFJRIIPD-UHFFFAOYSA-N 2 0 348.579 3.589 20 30 EHEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001173318829 1132061233 /nfs/dbraw/zinc/06/12/33/1132061233.db2.gz OADRCXSGYPFMKU-UHFFFAOYSA-N 2 0 332.463 3.589 20 30 EHEDRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCc2ccc(C#N)cc2)CC1 ZINC001175362514 1132649878 /nfs/dbraw/zinc/64/98/78/1132649878.db2.gz WBVNWFMDMBEOPW-OAQYLSRUSA-N 2 0 325.500 3.687 20 30 EHEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC23CC[NH+](CC2)CC3)cc1 ZINC001169800576 1132854517 /nfs/dbraw/zinc/85/45/17/1132854517.db2.gz YRGWULZRNVOTGQ-HXUWFJFHSA-N 2 0 325.500 3.907 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001171179282 1137290812 /nfs/dbraw/zinc/29/08/12/1137290812.db2.gz QNAKTFIZXOLKOH-CVDCTZTESA-N 2 0 347.506 3.991 20 30 EHEDRP C[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)(c2ccccc2)CC1 ZINC000865775545 1137310412 /nfs/dbraw/zinc/31/04/12/1137310412.db2.gz YHXZTBJSLYDHFE-UHFFFAOYSA-N 2 0 325.500 3.712 20 30 EHEDRP C[C@@]1(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@]1(F)Cl ZINC000846033229 1137328077 /nfs/dbraw/zinc/32/80/77/1137328077.db2.gz OIMZIHIZFQGRHX-MOPGFXCFSA-N 2 0 349.881 3.817 20 30 EHEDRP N#CC1(CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000337177817 1138486919 /nfs/dbraw/zinc/48/69/19/1138486919.db2.gz JVWZYJNOXSLTDR-UHFFFAOYSA-N 2 0 347.547 3.675 20 30 EHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696549 1139924988 /nfs/dbraw/zinc/92/49/88/1139924988.db2.gz NGKKDIBZMRZOHD-KRWDZBQOSA-N 2 0 337.467 3.891 20 30 EHEDRP C=CCN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000187977467 1140278928 /nfs/dbraw/zinc/27/89/28/1140278928.db2.gz GTXNXCWJLGZORG-LBPRGKRZSA-N 2 0 341.268 3.889 20 30 EHEDRP C=CCOc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271055174 1141301266 /nfs/dbraw/zinc/30/12/66/1141301266.db2.gz YUSCQBCSDMBFLF-UHFFFAOYSA-N 2 0 332.488 3.565 20 30 EHEDRP C=C(C)CN1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819236 1015429529 /nfs/dbraw/zinc/42/95/29/1015429529.db2.gz BIDOGDPMALNOLV-CTNGQTDRSA-N 2 0 341.543 3.527 20 30 EHEDRP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544253 1032954192 /nfs/dbraw/zinc/95/41/92/1032954192.db2.gz GQODPIHHVZCBIZ-ZWKOTPCHSA-N 2 0 335.536 3.576 20 30 EHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCC(C#N)CC1 ZINC000602572183 1032981731 /nfs/dbraw/zinc/98/17/31/1032981731.db2.gz YRDGZQGOSYUJHO-VWYCLODISA-N 2 0 325.500 3.815 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000610829922 1023779895 /nfs/dbraw/zinc/77/98/95/1023779895.db2.gz SANASUFYPGJVOG-DLBZAZTESA-N 2 0 337.467 3.910 20 30 EHEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000895683665 1024733507 /nfs/dbraw/zinc/73/35/07/1024733507.db2.gz RKWUXVYYVMEILA-UHFFFAOYSA-N 2 0 325.500 3.940 20 30 EHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466717 1026632919 /nfs/dbraw/zinc/63/29/19/1026632919.db2.gz SELLKUZPVFUBOK-WMZOPIPTSA-N 2 0 337.442 3.870 20 30 EHEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000153039502 1026966057 /nfs/dbraw/zinc/96/60/57/1026966057.db2.gz SYQJUAVLDKXBQG-GHTZIAJQSA-N 2 0 333.564 3.660 20 30 EHEDRP C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129650080 1027585962 /nfs/dbraw/zinc/58/59/62/1027585962.db2.gz QGFDUQSYNVZVKE-IYVCXYCASA-N 2 0 337.511 3.853 20 30 EHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)CC2 ZINC000423482431 1028459515 /nfs/dbraw/zinc/45/95/15/1028459515.db2.gz XPPKZSRFCYFJGW-CBQOVEMMSA-N 2 0 349.453 3.668 20 30 EHEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152212 1029362519 /nfs/dbraw/zinc/36/25/19/1029362519.db2.gz AERBCPIYSZUXNQ-YYWHXJBOSA-N 2 0 343.515 3.736 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532207139 1030461978 /nfs/dbraw/zinc/46/19/78/1030461978.db2.gz XGFWYJMFLFOISU-DLBZAZTESA-N 2 0 337.467 3.910 20 30 EHEDRP CC1(C)C[N@H+](CCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590229 1034307310 /nfs/dbraw/zinc/30/73/10/1034307310.db2.gz DQSVFXXZXOGEHC-HXUWFJFHSA-N 2 0 325.500 3.913 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000177806249 1035398841 /nfs/dbraw/zinc/39/88/41/1035398841.db2.gz QCUFQOJMJNIKSI-KRWDZBQOSA-N 2 0 331.419 3.735 20 30 EHEDRP C=CCCC[C@@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449704 1039185295 /nfs/dbraw/zinc/18/52/95/1039185295.db2.gz KHIHWRUJISRVCJ-IRLDBZIGSA-N 2 0 341.543 3.623 20 30 EHEDRP C=CCCC[C@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512449706 1039185795 /nfs/dbraw/zinc/18/57/95/1039185795.db2.gz KHIHWRUJISRVCJ-UNMCSNQZSA-N 2 0 341.543 3.623 20 30 EHEDRP CCC1(C[NH2+]C[C@H](C#N)CCC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000554801502 1039747550 /nfs/dbraw/zinc/74/75/50/1039747550.db2.gz GNYZYCOFFCWXKV-FQEVSTJZSA-N 2 0 338.499 3.712 20 30 EHEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195291478 1041417372 /nfs/dbraw/zinc/41/73/72/1041417372.db2.gz PYEBCOLJACRAMR-IBGZPJMESA-N 2 0 336.483 3.552 20 30 EHEDRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCSCC#N ZINC000282592917 1131100009 /nfs/dbraw/zinc/10/00/09/1131100009.db2.gz XDVVXROCXLBUNZ-GOSISDBHSA-N 2 0 331.529 3.524 20 30 EHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1 ZINC001169710007 1132829865 /nfs/dbraw/zinc/82/98/65/1132829865.db2.gz UUYQHMVMMQHDGX-HXUWFJFHSA-N 2 0 346.478 3.850 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CCC(CC[NH3+])CC2)CC1 ZINC001170365267 1134757190 /nfs/dbraw/zinc/75/71/90/1134757190.db2.gz SSOGPKDRDIUDSC-UHFFFAOYSA-N 2 0 325.500 3.888 20 30 EHEDRP C=CC[N@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644942 1135393881 /nfs/dbraw/zinc/39/38/81/1135393881.db2.gz YGDMRSHNVGLYJM-UHFFFAOYSA-N 2 0 341.524 3.688 20 30 EHEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000809604695 1135856592 /nfs/dbraw/zinc/85/65/92/1135856592.db2.gz XUCZPNRUAGSYEY-OALUTQOASA-N 2 0 348.490 3.567 20 30 EHEDRP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000113321614 1136696957 /nfs/dbraw/zinc/69/69/57/1136696957.db2.gz BHWMRUVVEUGCGP-UHFFFAOYSA-N 2 0 336.479 3.829 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817919870 1136846327 /nfs/dbraw/zinc/84/63/27/1136846327.db2.gz WBIPNMKUMRJQOJ-GFOJFJKKSA-N 2 0 341.499 3.768 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222349 1137348994 /nfs/dbraw/zinc/34/89/94/1137348994.db2.gz GBIMPJKYVJLKKQ-XXBNENTESA-N 2 0 347.506 3.943 20 30 EHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300018 1137549147 /nfs/dbraw/zinc/54/91/47/1137549147.db2.gz QVGKNWGRYQDVIO-QGZVFWFLSA-N 2 0 327.516 3.979 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134917860 1138712909 /nfs/dbraw/zinc/71/29/09/1138712909.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 2 0 337.511 3.936 20 30 EHEDRP CCc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000104155690 1139196420 /nfs/dbraw/zinc/19/64/20/1139196420.db2.gz ACSJBQWILHFRSH-QGZVFWFLSA-N 2 0 342.512 3.874 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174431676 1139420318 /nfs/dbraw/zinc/42/03/18/1139420318.db2.gz NBGXEWIFPPCFBI-KRWDZBQOSA-N 2 0 337.467 3.740 20 30 EHEDRP C=CCc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc(OC)c1O ZINC000415059962 1017486550 /nfs/dbraw/zinc/48/65/50/1017486550.db2.gz VQEOTPNAZLXYPT-LJQANCHMSA-N 2 0 340.467 3.699 20 30 EHEDRP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000398103233 1018969731 /nfs/dbraw/zinc/96/97/31/1018969731.db2.gz AUGUIIJLZVEULB-LAUBAEHRSA-N 2 0 349.478 3.567 20 30 EHEDRP N#CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000602608276 1033024378 /nfs/dbraw/zinc/02/43/78/1033024378.db2.gz LSOOBGWAHOCVQD-HODLZWQNSA-N 2 0 337.511 3.959 20 30 EHEDRP CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278776255 1033166701 /nfs/dbraw/zinc/16/67/01/1033166701.db2.gz PKQXDZSUHKFRTJ-HXUWFJFHSA-N 2 0 325.431 4.000 20 30 EHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665230435 1024681414 /nfs/dbraw/zinc/68/14/14/1024681414.db2.gz OTMISLVKJMWFGL-BOFXEDATSA-N 2 0 326.484 3.967 20 30 EHEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420311949 1027460844 /nfs/dbraw/zinc/46/08/44/1027460844.db2.gz WKPGKGRQXFYHQQ-CYBMUJFWSA-N 2 0 341.268 3.576 20 30 EHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535483 1028502879 /nfs/dbraw/zinc/50/28/79/1028502879.db2.gz XVEIPXPAECNWAB-BHDDXSALSA-N 2 0 331.463 3.671 20 30 EHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594504424 1033406246 /nfs/dbraw/zinc/40/62/46/1033406246.db2.gz IULCZNIVDMVAKG-IBGZPJMESA-N 2 0 327.516 3.945 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594944285 1033590647 /nfs/dbraw/zinc/59/06/47/1033590647.db2.gz SNAJBLJFYYKWFS-PKOBYXMFSA-N 2 0 337.511 3.984 20 30 EHEDRP N#Cc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595001841 1033628180 /nfs/dbraw/zinc/62/81/80/1033628180.db2.gz ZZLOXTPCUKOBSU-QFIPXVFZSA-N 2 0 345.490 3.950 20 30 EHEDRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133577 1034555255 /nfs/dbraw/zinc/55/52/55/1034555255.db2.gz VBAYJRFJLQGBMA-UHFFFAOYSA-N 2 0 336.483 3.913 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)cn2)CC1)CC(C)C ZINC000581674592 1035543865 /nfs/dbraw/zinc/54/38/65/1035543865.db2.gz MXCVOLYHRVPISL-UHFFFAOYSA-N 2 0 328.504 3.533 20 30 EHEDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000539495703 1036830333 /nfs/dbraw/zinc/83/03/33/1036830333.db2.gz BPGNKPDXKNDCPA-SFHVURJKSA-N 2 0 349.478 3.884 20 30 EHEDRP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176173 1040378531 /nfs/dbraw/zinc/37/85/31/1040378531.db2.gz OKJDVJQWNUGGSD-WIYYLYMNSA-N 2 0 337.511 3.936 20 30 EHEDRP CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121602304 1042809584 /nfs/dbraw/zinc/80/95/84/1042809584.db2.gz NOUIPDFSPGEKSR-LJQANCHMSA-N 2 0 337.442 3.651 20 30 EHEDRP C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000175012761 1126864202 /nfs/dbraw/zinc/86/42/02/1126864202.db2.gz VYPINMFSUFNEJC-MSOLQXFVSA-N 2 0 332.488 3.613 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000764965107 1127559988 /nfs/dbraw/zinc/55/99/88/1127559988.db2.gz ICDGXHQPBCSDIG-IBGZPJMESA-N 2 0 328.500 3.861 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000403981012 1128672945 /nfs/dbraw/zinc/67/29/45/1128672945.db2.gz ATZPCTAHLPPODR-OXQOHEQNSA-N 2 0 337.442 3.698 20 30 EHEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000403981019 1128673179 /nfs/dbraw/zinc/67/31/79/1128673179.db2.gz ATZPCTAHLPPODR-UZLBHIALSA-N 2 0 337.442 3.698 20 30 EHEDRP C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000618804295 1125207656 /nfs/dbraw/zinc/20/76/56/1125207656.db2.gz KQMRKNOUNWWKOI-ZHRRBRCNSA-N 2 0 349.478 3.837 20 30 EHEDRP C=CC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019115 1129804442 /nfs/dbraw/zinc/80/44/42/1129804442.db2.gz KDOZJEUUFDEUSF-DYESRHJHSA-N 2 0 339.483 3.990 20 30 EHEDRP COc1ccccc1C[N@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486264 1131739675 /nfs/dbraw/zinc/73/96/75/1131739675.db2.gz COLUDBDRSITXLO-WDSOQIARSA-N 2 0 329.488 3.849 20 30 EHEDRP N#CCC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173325233 1132047024 /nfs/dbraw/zinc/04/70/24/1132047024.db2.gz FGLUTZAIKZYAPL-UHFFFAOYSA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332883 1132050545 /nfs/dbraw/zinc/05/05/45/1132050545.db2.gz VKHZFPUQGONFOE-SDEKRAFDSA-N 2 0 325.500 3.959 20 30 EHEDRP C=CCOC1CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317582 1132060081 /nfs/dbraw/zinc/06/00/81/1132060081.db2.gz KISABQGWLWXNSW-GOHCJOFJSA-N 2 0 343.515 3.667 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH+]2CCC([NH3+])(CC3CC3)CC2)CC1 ZINC001170371029 1134757604 /nfs/dbraw/zinc/75/76/04/1134757604.db2.gz ACFKPGYSQVEUSX-UHFFFAOYSA-N 2 0 337.511 3.984 20 30 EHEDRP C[N@@H+]1C[C@]23C[NH+](Cc4ccccc4C(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001198820402 1135859268 /nfs/dbraw/zinc/85/92/68/1135859268.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 2 0 337.511 3.796 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001171195340 1137301654 /nfs/dbraw/zinc/30/16/54/1137301654.db2.gz RRVSUJLBXBAMNP-KRWDZBQOSA-N 2 0 327.516 3.837 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001171204315 1137325007 /nfs/dbraw/zinc/32/50/07/1137325007.db2.gz VMTNSJHESMCSIF-RTBURBONSA-N 2 0 337.511 3.900 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222346 1137348974 /nfs/dbraw/zinc/34/89/74/1137348974.db2.gz GBIMPJKYVJLKKQ-AUSIDOKSSA-N 2 0 347.506 3.943 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001172308817 1137545988 /nfs/dbraw/zinc/54/59/88/1137545988.db2.gz ZWVKQAJILFVEMN-QGZVFWFLSA-N 2 0 325.500 3.543 20 30 EHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000883191261 1137847839 /nfs/dbraw/zinc/84/78/39/1137847839.db2.gz XYXGZYFYMQFTDG-IFMALSPDSA-N 2 0 342.527 3.654 20 30 EHEDRP C=CCC1(O)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000886778678 1138139017 /nfs/dbraw/zinc/13/90/17/1138139017.db2.gz NXJBQYVJLGIWAD-UHFFFAOYSA-N 2 0 328.500 3.576 20 30 EHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCc2ccccc2-n2ccnc2)cc1 ZINC000104176283 1139198063 /nfs/dbraw/zinc/19/80/63/1139198063.db2.gz HOHWKTIUPOSRRU-UHFFFAOYSA-N 2 0 349.438 3.586 20 30 EHEDRP C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697146 1140164318 /nfs/dbraw/zinc/16/43/18/1140164318.db2.gz RXNQFNIAODAGLW-HKUYNNGSSA-N 2 0 341.499 3.570 20 30 EHEDRP C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697114 1140164393 /nfs/dbraw/zinc/16/43/93/1140164393.db2.gz RXNQFNIAODAGLW-PKOBYXMFSA-N 2 0 341.499 3.570 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449084794 1032140996 /nfs/dbraw/zinc/14/09/96/1032140996.db2.gz YUMMMJPAQDWLNH-UHFFFAOYSA-N 2 0 343.515 3.969 20 30 EHEDRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000311549321 1016823801 /nfs/dbraw/zinc/82/38/01/1016823801.db2.gz VTHRPZLPPVFUBO-FQEVSTJZSA-N 2 0 349.478 3.569 20 30 EHEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000610271192 1017121070 /nfs/dbraw/zinc/12/10/70/1017121070.db2.gz JBXYVDPKQVLBJM-UTKZUKDTSA-N 2 0 349.478 3.710 20 30 EHEDRP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000602513058 1032947050 /nfs/dbraw/zinc/94/70/50/1032947050.db2.gz ZAENPRQAZJOKCD-PKOBYXMFSA-N 2 0 335.536 3.576 20 30 EHEDRP C[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434534 1021433854 /nfs/dbraw/zinc/43/38/54/1021433854.db2.gz BVRBVRPPMFZGRJ-WMLDXEAASA-N 2 0 331.891 3.954 20 30 EHEDRP C=CC1CC[NH+](Cc2cncc(C[NH+]3CCC(C=C)CC3)c2)CC1 ZINC000515206172 1025089802 /nfs/dbraw/zinc/08/98/02/1025089802.db2.gz KTYCZTIKTZSSDJ-UHFFFAOYSA-N 2 0 325.500 3.878 20 30 EHEDRP CCc1cccc(CC)c1NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262420929 1026084673 /nfs/dbraw/zinc/08/46/73/1026084673.db2.gz AZIWYRQOALDNFW-UHFFFAOYSA-N 2 0 328.504 3.555 20 30 EHEDRP CC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000422997620 1028113910 /nfs/dbraw/zinc/11/39/10/1028113910.db2.gz VAMYJIHNMABBDG-GHBBCFCZSA-N 2 0 341.499 3.759 20 30 EHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421321217 1028262903 /nfs/dbraw/zinc/26/29/03/1028262903.db2.gz BMKAUUJESQQWHB-UHFFFAOYSA-N 2 0 325.431 3.829 20 30 EHEDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000421379366 1028341249 /nfs/dbraw/zinc/34/12/49/1028341249.db2.gz ULVOJBLDIWUEHU-UHFFFAOYSA-N 2 0 325.378 3.539 20 30 EHEDRP C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)cc1F ZINC000423528928 1028485984 /nfs/dbraw/zinc/48/59/84/1028485984.db2.gz PCZCRIFJGZAIDJ-DAFVDEOWSA-N 2 0 327.447 3.502 20 30 EHEDRP Cc1cnccc1OC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000429715672 1029950401 /nfs/dbraw/zinc/95/04/01/1029950401.db2.gz IRMIWHPBGTXBDK-UHFFFAOYSA-N 2 0 340.854 3.938 20 30 EHEDRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278339126 1030247036 /nfs/dbraw/zinc/24/70/36/1030247036.db2.gz XGIJMWBTFFMMMM-OAQYLSRUSA-N 2 0 337.467 3.740 20 30 EHEDRP C#CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246483184 1030511667 /nfs/dbraw/zinc/51/16/67/1030511667.db2.gz OXUMRRBQDXBZHD-UGKGYDQZSA-N 2 0 338.495 3.537 20 30 EHEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886395 1030764986 /nfs/dbraw/zinc/76/49/86/1030764986.db2.gz OTQPCHJHTHUOGG-CTNGQTDRSA-N 2 0 342.527 3.860 20 30 EHEDRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000594970074 1033577550 /nfs/dbraw/zinc/57/75/50/1033577550.db2.gz SGMCFXIIVAAGTL-UHFFFAOYSA-N 2 0 337.467 3.524 20 30 EHEDRP N#CC1(c2ccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000594933671 1033583689 /nfs/dbraw/zinc/58/36/89/1033583689.db2.gz AOPQHZQRVXVRPR-UHFFFAOYSA-N 2 0 346.478 3.643 20 30 EHEDRP N#Cc1ccc(CC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168393268 1036567196 /nfs/dbraw/zinc/56/71/96/1036567196.db2.gz ZTHCPFTZTWMQCA-UHFFFAOYSA-N 2 0 337.511 3.687 20 30 EHEDRP C[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000552275787 1039150974 /nfs/dbraw/zinc/15/09/74/1039150974.db2.gz ADFSKKDROFIOTK-SQNIBIBYSA-N 2 0 336.401 3.519 20 30 EHEDRP C=CCCCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512485393 1039464849 /nfs/dbraw/zinc/46/48/49/1039464849.db2.gz GZYNQOVUPRPBCP-JOCHJYFZSA-N 2 0 341.543 3.625 20 30 EHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000236914254 1040152065 /nfs/dbraw/zinc/15/20/65/1040152065.db2.gz DOFFSLYTBNEYDS-UHFFFAOYSA-N 2 0 336.479 3.830 20 30 EHEDRP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)nc1 ZINC000512623261 1040291765 /nfs/dbraw/zinc/29/17/65/1040291765.db2.gz DVOQZJHBNZENAV-HNNXBMFYSA-N 2 0 338.430 3.720 20 30 EHEDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690219 /nfs/dbraw/zinc/69/02/19/1129690219.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 2 0 331.463 3.753 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245689534 1130287407 /nfs/dbraw/zinc/28/74/07/1130287407.db2.gz KCSOOIAFFVKREO-KOUNCHBCSA-N 2 0 331.463 3.843 20 30 EHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506668 1131762163 /nfs/dbraw/zinc/76/21/63/1131762163.db2.gz ZAMHWTXZYXHCPS-GIVPXCGWSA-N 2 0 325.500 3.913 20 30 EHEDRP C[NH+]1CCN(c2cc(Nc3ccc(C#N)c4ccccc34)cc[nH+]2)CC1 ZINC001201658891 1136052999 /nfs/dbraw/zinc/05/29/99/1136052999.db2.gz MAEFFLLUWTUHOV-UHFFFAOYSA-N 2 0 343.434 3.602 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000113336052 1136697478 /nfs/dbraw/zinc/69/74/78/1136697478.db2.gz JSVYBOWTSJHHRB-UHFFFAOYSA-N 2 0 336.479 3.830 20 30 EHEDRP C[C@]1(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@]1(F)Cl ZINC000846033236 1137328197 /nfs/dbraw/zinc/32/81/97/1137328197.db2.gz OIMZIHIZFQGRHX-RBUKOAKNSA-N 2 0 349.881 3.817 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303570 1137549064 /nfs/dbraw/zinc/54/90/64/1137549064.db2.gz BQJSXQSPZQARRT-ZPMCFJSWSA-N 2 0 348.494 3.656 20 30 EHEDRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513543 1139911757 /nfs/dbraw/zinc/91/17/57/1139911757.db2.gz NQIGAHWOUJWCDN-KURKYZTESA-N 2 0 329.488 3.608 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185782080 1140169266 /nfs/dbraw/zinc/16/92/66/1140169266.db2.gz NATIYHZXXUGQLA-MJGOQNOKSA-N 2 0 329.488 3.579 20 30 EHEDRP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000154325525 1015367188 /nfs/dbraw/zinc/36/71/88/1015367188.db2.gz XCSPMEOKGHEQHM-IAGOWNOFSA-N 2 0 337.467 3.910 20 30 EHEDRP CC1(C#N)CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000449142949 1032246657 /nfs/dbraw/zinc/24/66/57/1032246657.db2.gz PBCJXBPTWAVGRX-UHFFFAOYSA-N 2 0 341.499 3.723 20 30 EHEDRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000610271190 1017121226 /nfs/dbraw/zinc/12/12/26/1017121226.db2.gz JBXYVDPKQVLBJM-DYESRHJHSA-N 2 0 349.478 3.710 20 30 EHEDRP C[C@H]1C[C@H](CC[NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602577561 1032996592 /nfs/dbraw/zinc/99/65/92/1032996592.db2.gz VRPSJBSZXPRNFM-YLJXDBKYSA-N 2 0 325.500 3.959 20 30 EHEDRP C=CCc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1O ZINC000076274872 1023130382 /nfs/dbraw/zinc/13/03/82/1023130382.db2.gz BLSWAUVKHPTXNV-UHFFFAOYSA-N 2 0 332.488 3.528 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000280953353 1024482683 /nfs/dbraw/zinc/48/26/83/1024482683.db2.gz XSSVNNGNAGAEPE-KGWSWXIGSA-N 2 0 340.511 3.753 20 30 EHEDRP C=CCN1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453101700 1027364931 /nfs/dbraw/zinc/36/49/31/1027364931.db2.gz OPZNGZFPHRKWCT-PMACEKPBSA-N 2 0 348.918 3.670 20 30 EHEDRP CCN(Cc1ccccc1CN(CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000246108437 1027745433 /nfs/dbraw/zinc/74/54/33/1027745433.db2.gz IYUCPDSYOOEOQH-HDICACEKSA-N 2 0 326.488 3.650 20 30 EHEDRP C=CCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423151042 1028211814 /nfs/dbraw/zinc/21/18/14/1028211814.db2.gz CLTWHHRJOULHFS-GHTZIAJQSA-N 2 0 326.484 3.968 20 30 EHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000421344808 1028284461 /nfs/dbraw/zinc/28/44/61/1028284461.db2.gz VBDODYZMOUIWNE-UHFFFAOYSA-N 2 0 329.463 3.830 20 30 EHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440629005 1028475589 /nfs/dbraw/zinc/47/55/89/1028475589.db2.gz XOKTUCSJOCCBKA-RBUKOAKNSA-N 2 0 329.488 3.557 20 30 EHEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C(F)(F)F)c1 ZINC000595895330 1034024226 /nfs/dbraw/zinc/02/42/26/1034024226.db2.gz IXYDIKLBYBKEBM-KRWDZBQOSA-N 2 0 337.389 3.541 20 30 EHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)c(C#N)c1 ZINC000599659216 1034089698 /nfs/dbraw/zinc/08/96/98/1034089698.db2.gz GGMQASLTGQDCMS-UHFFFAOYSA-N 2 0 325.431 3.781 20 30 EHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C#N)ccc1OC ZINC000599660931 1034091893 /nfs/dbraw/zinc/09/18/93/1034091893.db2.gz QLGBEBZFNUFIIG-UHFFFAOYSA-N 2 0 337.467 3.651 20 30 EHEDRP N#Cc1cccc(C[NH+]2CCC(Nc3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000596293901 1034148590 /nfs/dbraw/zinc/14/85/90/1034148590.db2.gz FXGXPFNTIATHPQ-UHFFFAOYSA-N 2 0 331.423 3.511 20 30 EHEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000375943681 1034980667 /nfs/dbraw/zinc/98/06/67/1034980667.db2.gz WMQBDTPQMDCNOI-HDICACEKSA-N 2 0 335.536 3.528 20 30 EHEDRP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176170 1040377526 /nfs/dbraw/zinc/37/75/26/1040377526.db2.gz OKJDVJQWNUGGSD-GHTZIAJQSA-N 2 0 337.511 3.936 20 30 EHEDRP C=CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000662675680 1042825128 /nfs/dbraw/zinc/82/51/28/1042825128.db2.gz PRWYKXVXKFSKLA-LAUBAEHRSA-N 2 0 341.499 3.698 20 30 EHEDRP N#Cc1ccc(F)cc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278980230 1043122945 /nfs/dbraw/zinc/12/29/45/1043122945.db2.gz YYNPGBAHXKOZTC-UHFFFAOYSA-N 2 0 338.430 3.610 20 30 EHEDRP CC(C)(CCC#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000344307248 1043628180 /nfs/dbraw/zinc/62/81/80/1043628180.db2.gz LXLPJWHYWOZVCK-UHFFFAOYSA-N 2 0 329.488 3.581 20 30 EHEDRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231028 1121102122 /nfs/dbraw/zinc/10/21/22/1121102122.db2.gz UQBUMHWOEFXPTH-PXNSSMCTSA-N 2 0 349.478 3.567 20 30 EHEDRP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831814 1130175893 /nfs/dbraw/zinc/17/58/93/1130175893.db2.gz SOAAKSIRBHTUBT-RXVVDRJESA-N 2 0 333.479 3.867 20 30 EHEDRP C#CCCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000733324708 1131025083 /nfs/dbraw/zinc/02/50/83/1131025083.db2.gz VIKKANVCFZHYTM-PMACEKPBSA-N 2 0 342.527 3.936 20 30 EHEDRP C=CCOCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348040402 1131135194 /nfs/dbraw/zinc/13/51/94/1131135194.db2.gz VKZICFXSHLOFAE-OAQYLSRUSA-N 2 0 328.500 3.567 20 30 EHEDRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1C#N ZINC000742366396 1131710665 /nfs/dbraw/zinc/71/06/65/1131710665.db2.gz CLGBGYCWFXJMFU-UHFFFAOYSA-N 2 0 349.478 3.843 20 30 EHEDRP C=CCOC1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173312299 1132037826 /nfs/dbraw/zinc/03/78/26/1132037826.db2.gz XVOYIFLHGKULTK-MWXLCCTBSA-N 2 0 328.500 3.612 20 30 EHEDRP C=CCOC1CCC([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001173326557 1132047556 /nfs/dbraw/zinc/04/75/56/1132047556.db2.gz KGKFYAZFYLQARX-ITAUSPCMSA-N 2 0 342.527 3.954 20 30 EHEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CC1 ZINC001173591784 1132097440 /nfs/dbraw/zinc/09/74/40/1132097440.db2.gz YUXJLZBZEHAPBL-UHFFFAOYSA-N 2 0 329.463 3.634 20 30 EHEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000768304153 1133123538 /nfs/dbraw/zinc/12/35/38/1133123538.db2.gz SZVRICJBZOYHAZ-QGZVFWFLSA-N 2 0 329.488 3.531 20 30 EHEDRP C#CCCOc1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000768304132 1133123660 /nfs/dbraw/zinc/12/36/60/1133123660.db2.gz SLXPURXOBUTVIW-UHFFFAOYSA-N 2 0 328.500 3.643 20 30 EHEDRP C#CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001179611267 1133263976 /nfs/dbraw/zinc/26/39/76/1133263976.db2.gz JANLJNZHSYDTDT-UHFFFAOYSA-N 2 0 326.484 3.585 20 30 EHEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775419981 1134764622 /nfs/dbraw/zinc/76/46/22/1134764622.db2.gz FCFVOBUVNDAGTD-ROUUACIJSA-N 2 0 346.515 3.516 20 30 EHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](C)CCC=C(C)C)CC1 ZINC001201496079 1136028796 /nfs/dbraw/zinc/02/87/96/1136028796.db2.gz JYTDRZLDAWUONW-OAQYLSRUSA-N 2 0 333.564 3.661 20 30 EHEDRP C[NH+]1CCN(c2cc(Nc3c(C#N)ccc4ccccc43)cc[nH+]2)CC1 ZINC001201658576 1136052614 /nfs/dbraw/zinc/05/26/14/1136052614.db2.gz FENSJXJZZIHLLP-UHFFFAOYSA-N 2 0 343.434 3.602 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817919734 1136846343 /nfs/dbraw/zinc/84/63/43/1136846343.db2.gz VIJHZFXEGBUQBI-BHIYHBOVSA-N 2 0 329.488 3.768 20 30 EHEDRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OC ZINC000818357244 1136875766 /nfs/dbraw/zinc/87/57/66/1136875766.db2.gz XLUMIXWXHHDPTQ-JTDSTZFVSA-N 2 0 329.488 3.880 20 30 EHEDRP C/C(N[C@@H]1CCc2c(Cl)cccc2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001171033264 1137114535 /nfs/dbraw/zinc/11/45/35/1137114535.db2.gz LUHQUJXHIYJLAE-GOSISDBHSA-N 2 0 341.886 3.864 20 30 EHEDRP CC(C)([NH3+])c1ccccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277491 1137390677 /nfs/dbraw/zinc/39/06/77/1137390677.db2.gz NGGCDDZFVOIARD-UHFFFAOYSA-N 2 0 348.494 3.851 20 30 EHEDRP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000883191264 1137847843 /nfs/dbraw/zinc/84/78/43/1137847843.db2.gz XYXGZYFYMQFTDG-UNMCSNQZSA-N 2 0 342.527 3.654 20 30 EHEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000883390996 1137859214 /nfs/dbraw/zinc/85/92/14/1137859214.db2.gz ZCYZGTHEDSKGLS-FXAWDEMLSA-N 2 0 346.515 3.659 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000120882074 1137953230 /nfs/dbraw/zinc/95/32/30/1137953230.db2.gz DTEPEZVRKXIDMB-INIZCTEOSA-N 2 0 340.442 3.750 20 30 EHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)ccc1OC ZINC000459657703 1032381430 /nfs/dbraw/zinc/38/14/30/1032381430.db2.gz ILHZEALCZNYEQN-UHFFFAOYSA-N 2 0 337.423 3.588 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000728712097 1018360736 /nfs/dbraw/zinc/36/07/36/1018360736.db2.gz ZONILXIRRIOJBC-ROUUACIJSA-N 2 0 329.488 3.579 20 30 EHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602511001 1032946142 /nfs/dbraw/zinc/94/61/42/1032946142.db2.gz HRKFWQRDZVXCNG-GOSISDBHSA-N 2 0 343.515 3.717 20 30 EHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535978 1032968480 /nfs/dbraw/zinc/96/84/80/1032968480.db2.gz UIWKWMPMPSACMO-UYAOXDASSA-N 2 0 347.547 3.720 20 30 EHEDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000342287489 1024718079 /nfs/dbraw/zinc/71/80/79/1024718079.db2.gz AKKWVVRHJIABHK-UHFFFAOYSA-N 2 0 342.531 3.638 20 30 EHEDRP C[C@@H](CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982712 1033286267 /nfs/dbraw/zinc/28/62/67/1033286267.db2.gz XENCSWUWPUNHIX-LTFPLMDUSA-N 2 0 330.520 3.651 20 30 EHEDRP COc1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1C#N ZINC000442884772 1025565906 /nfs/dbraw/zinc/56/59/06/1025565906.db2.gz KWQMEVUCHVUEFJ-LJQANCHMSA-N 2 0 341.499 3.655 20 30 EHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421338834 1028281191 /nfs/dbraw/zinc/28/11/91/1028281191.db2.gz DSDDPHSGJVQTLO-UHFFFAOYSA-N 2 0 325.431 3.827 20 30 EHEDRP N#CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000594995444 1033624021 /nfs/dbraw/zinc/62/40/21/1033624021.db2.gz QLFRIHYCDNHMEJ-UHFFFAOYSA-N 2 0 341.499 3.725 20 30 EHEDRP Cc1ccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000170911750 1033831061 /nfs/dbraw/zinc/83/10/61/1033831061.db2.gz NMTDTNQHOTUBLS-UHFFFAOYSA-N 2 0 336.483 3.826 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000171562881 1034462106 /nfs/dbraw/zinc/46/21/06/1034462106.db2.gz VMDUMZFQRKQRSS-GOSISDBHSA-N 2 0 349.478 3.863 20 30 EHEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195291488 1041417677 /nfs/dbraw/zinc/41/76/77/1041417677.db2.gz PYEBCOLJACRAMR-LJQANCHMSA-N 2 0 336.483 3.552 20 30 EHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825666 1042956519 /nfs/dbraw/zinc/95/65/19/1042956519.db2.gz SJWIGUCLWSPFNM-PZJWPPBQSA-N 2 0 349.563 3.530 20 30 EHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC000063319589 1128870433 /nfs/dbraw/zinc/87/04/33/1128870433.db2.gz KGTGZNVZIYBDJL-UHFFFAOYSA-N 2 0 349.478 3.569 20 30 EHEDRP CCN(Cc1ccc(CN(CC)C[C@H](C)C#N)cc1)C[C@@H](C)C#N ZINC000246195919 1124048201 /nfs/dbraw/zinc/04/82/01/1124048201.db2.gz XBXGQVQKBVMFSS-HDICACEKSA-N 2 0 326.488 3.650 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248862253 1124708816 /nfs/dbraw/zinc/70/88/16/1124708816.db2.gz PVHGEPLDNOCXLW-RKNHFHLDSA-N 2 0 325.500 3.815 20 30 EHEDRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000245971032 1130335418 /nfs/dbraw/zinc/33/54/18/1130335418.db2.gz ZQTRUBKJXLPLMV-ZWKOTPCHSA-N 2 0 349.478 3.630 20 30 EHEDRP CC[C@@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197745 1134713797 /nfs/dbraw/zinc/71/37/97/1134713797.db2.gz YCOGPJJRKGELFO-XRXFAXGQSA-N 2 0 341.499 3.588 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817919737 1136846080 /nfs/dbraw/zinc/84/60/80/1136846080.db2.gz VIJHZFXEGBUQBI-YTQUADARSA-N 2 0 329.488 3.768 20 30 EHEDRP C#Cc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311875 /nfs/dbraw/zinc/31/18/75/1137311875.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 2 0 330.475 3.766 20 30 EHEDRP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CCN1Cc1ccccc1 ZINC000865846937 1137316233 /nfs/dbraw/zinc/31/62/33/1137316233.db2.gz BGNXBTXQPQQXML-ZQMYSKGWSA-N 2 0 345.490 3.668 20 30 EHEDRP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389245 1138073146 /nfs/dbraw/zinc/07/31/46/1138073146.db2.gz AHZOZINUHHFSKD-GFLQDLJJSA-N 2 0 328.504 3.546 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000135244559 1138737025 /nfs/dbraw/zinc/73/70/25/1138737025.db2.gz CQEXOCZUKMJJQX-IBGZPJMESA-N 2 0 325.500 3.938 20 30 EHEDRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC000174250318 1139409074 /nfs/dbraw/zinc/40/90/74/1139409074.db2.gz BVEKUCOTNRVYEH-UHFFFAOYSA-N 2 0 349.478 3.843 20 30 EHEDRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C[C@H](C)O1 ZINC000266177082 1140651383 /nfs/dbraw/zinc/65/13/83/1140651383.db2.gz DYTRQWROINOAOV-ROUUACIJSA-N 2 0 343.515 3.715 20 30 EHEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185324 1021114958 /nfs/dbraw/zinc/11/49/58/1021114958.db2.gz FAAHASNRUWTPKE-NRFANRHFSA-N 2 0 341.543 3.670 20 30 EHEDRP CC[N@H+](CCC[NH2+][C@H](C)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000602697745 1033079362 /nfs/dbraw/zinc/07/93/62/1033079362.db2.gz HYXUNAZUZWEXCM-GOSISDBHSA-N 2 0 335.536 3.720 20 30 EHEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015602 1024780711 /nfs/dbraw/zinc/78/07/11/1024780711.db2.gz BWRJDQYEPQLRAT-AVRDEDQJSA-N 2 0 333.479 3.753 20 30 EHEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000262491020 1026614852 /nfs/dbraw/zinc/61/48/52/1026614852.db2.gz UWLLWFBZGFBEOT-VNCLNFNDSA-N 2 0 328.504 3.944 20 30 EHEDRP CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422997623 1028114081 /nfs/dbraw/zinc/11/40/81/1028114081.db2.gz VAMYJIHNMABBDG-TUNPWDSISA-N 2 0 341.499 3.759 20 30 EHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000424297029 1028937576 /nfs/dbraw/zinc/93/75/76/1028937576.db2.gz PPFNDNYAHXIYKP-ITBHCLRTSA-N 2 0 340.511 3.610 20 30 EHEDRP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000532207140 1030462174 /nfs/dbraw/zinc/46/21/74/1030462174.db2.gz XGFWYJMFLFOISU-IAGOWNOFSA-N 2 0 337.467 3.910 20 30 EHEDRP N#Cc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1 ZINC000594955700 1033596355 /nfs/dbraw/zinc/59/63/55/1033596355.db2.gz SIVGLKNXFPDDKH-QFIPXVFZSA-N 2 0 345.490 3.888 20 30 EHEDRP C=CCCSCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000595057139 1033634398 /nfs/dbraw/zinc/63/43/98/1033634398.db2.gz ARIUKIHZEPUDSN-GOSISDBHSA-N 2 0 332.557 3.981 20 30 EHEDRP C[NH+](C)C1CCC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001168324611 1034106487 /nfs/dbraw/zinc/10/64/87/1034106487.db2.gz RFYCJNYVOJBGAZ-UHFFFAOYSA-N 2 0 325.500 3.686 20 30 EHEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000122100778 1034378783 /nfs/dbraw/zinc/37/87/83/1034378783.db2.gz LGQFYRHAPOVHED-GOSISDBHSA-N 2 0 343.515 3.690 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)cc1 ZINC001167701579 1037068563 /nfs/dbraw/zinc/06/85/63/1037068563.db2.gz PWISJLJKUDLEPH-FQEVSTJZSA-N 2 0 332.451 3.807 20 30 EHEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000591839146 1037647442 /nfs/dbraw/zinc/64/74/42/1037647442.db2.gz ZCIGZPBOUGJDDA-MRXNPFEDSA-N 2 0 331.423 3.640 20 30 EHEDRP C=CCC1([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551122 1039579338 /nfs/dbraw/zinc/57/93/38/1039579338.db2.gz HYDXNZRNSGDRAX-UYAOXDASSA-N 2 0 328.500 3.612 20 30 EHEDRP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000111391301 1128864205 /nfs/dbraw/zinc/86/42/05/1128864205.db2.gz CIDFHKRHVSGFMN-FRIKZZABSA-N 2 0 331.463 3.843 20 30 EHEDRP CC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154985 1128905494 /nfs/dbraw/zinc/90/54/94/1128905494.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 2 0 333.479 3.902 20 30 EHEDRP C[C@@H](NCc1ccc(C#N)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789429 1128914821 /nfs/dbraw/zinc/91/48/21/1128914821.db2.gz OGRJWTNTVDLIEM-NVXWUHKLSA-N 2 0 325.481 3.620 20 30 EHEDRP CC(C)C[N@H+](CC#Cc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001197194002 1135657714 /nfs/dbraw/zinc/65/77/14/1135657714.db2.gz ITPVUARCWHAWGG-UHFFFAOYSA-N 2 0 332.919 3.991 20 30 EHEDRP CCCCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001201840146 1136069554 /nfs/dbraw/zinc/06/95/54/1136069554.db2.gz NJXLUAQTHDPESA-GOSISDBHSA-N 2 0 338.536 3.696 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000113343822 1136697254 /nfs/dbraw/zinc/69/72/54/1136697254.db2.gz HTSCRIRBALOSTB-SFHVURJKSA-N 2 0 329.488 3.723 20 30 EHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC#N)cc1 ZINC000859994877 1137040025 /nfs/dbraw/zinc/04/00/25/1137040025.db2.gz GHDCTVFWYIZULM-UHFFFAOYSA-N 2 0 337.467 3.673 20 30 EHEDRP C#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001144576981 1137311712 /nfs/dbraw/zinc/31/17/12/1137311712.db2.gz ZIKWBKDOJZUDHQ-UHFFFAOYSA-N 2 0 330.475 3.766 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001171221544 1137345872 /nfs/dbraw/zinc/34/58/72/1137345872.db2.gz OUYOFYNNHDWTDE-QGZVFWFLSA-N 2 0 325.500 3.543 20 30 EHEDRP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866618309 1137369920 /nfs/dbraw/zinc/36/99/20/1137369920.db2.gz YOOIOKSXMHJJAE-AMHTUMDSSA-N 2 0 345.490 3.526 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773078155 1137463614 /nfs/dbraw/zinc/46/36/14/1137463614.db2.gz VFEPCLQUQXJLOH-OALUTQOASA-N 2 0 328.500 3.717 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172308275 1137545682 /nfs/dbraw/zinc/54/56/82/1137545682.db2.gz JMHVRUWXGIOQGA-NQIIRXRSSA-N 2 0 337.511 3.900 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319100 1137546910 /nfs/dbraw/zinc/54/69/10/1137546910.db2.gz KZXIUSIECAXFPK-AUSIDOKSSA-N 2 0 347.506 3.943 20 30 EHEDRP N#Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000886635122 1138104219 /nfs/dbraw/zinc/10/42/19/1138104219.db2.gz WDORZVWXRAFCFR-VABKMULXSA-N 2 0 345.490 3.743 20 30 EHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000104169807 1139197395 /nfs/dbraw/zinc/19/73/95/1139197395.db2.gz KUNGTFYHROFBCB-KRWDZBQOSA-N 2 0 346.519 3.855 20 30 EHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185854661 1140173804 /nfs/dbraw/zinc/17/38/04/1140173804.db2.gz PVHGEPLDNOCXLW-IZBJGVDFSA-N 2 0 325.500 3.815 20 30 EHEDRP C[C@@H]([NH2+]C/C=C/C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271653575 1141413990 /nfs/dbraw/zinc/41/39/90/1141413990.db2.gz JOQYZCGLSXLGCG-GVKUHWBJSA-N 2 0 344.462 3.988 20 30 EHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924798477 1032058024 /nfs/dbraw/zinc/05/80/24/1032058024.db2.gz OTFPNQHWQSWKKB-IBGZPJMESA-N 2 0 342.531 3.507 20 30 EHEDRP C=C(C)CN1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819255 1015429637 /nfs/dbraw/zinc/42/96/37/1015429637.db2.gz BIDOGDPMALNOLV-TZIWHRDSSA-N 2 0 341.543 3.527 20 30 EHEDRP C=CCCCCCCC[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001209442915 1016300942 /nfs/dbraw/zinc/30/09/42/1016300942.db2.gz ZMPPSDQCGRFLOS-UHFFFAOYSA-N 2 0 333.564 3.805 20 30 EHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000090106781 1032572610 /nfs/dbraw/zinc/57/26/10/1032572610.db2.gz AKYJGLDESFUNEP-DYESRHJHSA-N 2 0 341.499 3.570 20 30 EHEDRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000592404238 1032774431 /nfs/dbraw/zinc/77/44/31/1032774431.db2.gz VSEAKGCEWNTRQT-BEVDRBHNSA-N 2 0 337.442 3.693 20 30 EHEDRP C[C@H](CCC#N)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000602668970 1033066538 /nfs/dbraw/zinc/06/65/38/1033066538.db2.gz GVVUIVOCARBYEZ-LJQANCHMSA-N 2 0 325.500 3.914 20 30 EHEDRP C[C@@H]1CC(NC(=[NH2+])c2ccc(C#N)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012540 1025121395 /nfs/dbraw/zinc/12/13/95/1025121395.db2.gz BWJHNZNWUIQJAU-QRTHJKPMSA-N 2 0 346.478 3.705 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246560097 1028657773 /nfs/dbraw/zinc/65/77/73/1028657773.db2.gz KXQACTLRRDQESH-GHTZIAJQSA-N 2 0 337.511 3.936 20 30 EHEDRP Cc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000262371707 1031755552 /nfs/dbraw/zinc/75/55/52/1031755552.db2.gz WTPJEPBSJYETAE-MRXNPFEDSA-N 2 0 328.485 3.620 20 30 EHEDRP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000594514453 1033419573 /nfs/dbraw/zinc/41/95/73/1033419573.db2.gz YDKOHKWBPYBOPY-IRLDBZIGSA-N 2 0 347.506 3.923 20 30 EHEDRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000174305813 1033898475 /nfs/dbraw/zinc/89/84/75/1033898475.db2.gz FHXATEJNTLEZRT-UHFFFAOYSA-N 2 0 349.478 3.569 20 30 EHEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596979037 1034477486 /nfs/dbraw/zinc/47/74/86/1034477486.db2.gz FVLHJKMHEMIQEM-UHFFFAOYSA-N 2 0 325.500 3.796 20 30 EHEDRP C=CCC1([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551118 1039579825 /nfs/dbraw/zinc/57/98/25/1039579825.db2.gz HYDXNZRNSGDRAX-ICSRJNTNSA-N 2 0 328.500 3.612 20 30 EHEDRP CCCCCCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397534259 1040330623 /nfs/dbraw/zinc/33/06/23/1040330623.db2.gz GOLCAGYWQRBHHZ-UHFFFAOYSA-N 2 0 332.532 3.964 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642390 1040382045 /nfs/dbraw/zinc/38/20/45/1040382045.db2.gz PEQZBZWGCAXEIH-RJGXRXQPSA-N 2 0 345.490 3.949 20 30 EHEDRP C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OC ZINC000175012807 1126864135 /nfs/dbraw/zinc/86/41/35/1126864135.db2.gz VYPINMFSUFNEJC-ZWKOTPCHSA-N 2 0 332.488 3.613 20 30 EHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207008 1128071150 /nfs/dbraw/zinc/07/11/50/1128071150.db2.gz HEFTXHORVNLCLC-YXUAKONQSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@H]1C[C@H](NCc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000921816799 1128784293 /nfs/dbraw/zinc/78/42/93/1128784293.db2.gz KCNITBLHPVGTKT-MAUKXSAKSA-N 2 0 325.481 3.762 20 30 EHEDRP C=CCc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc(OC)c1O ZINC000093688462 1125289496 /nfs/dbraw/zinc/28/94/96/1125289496.db2.gz QDGFWJKFRUXWMJ-UHFFFAOYSA-N 2 0 346.515 3.683 20 30 EHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000124935102 1129646821 /nfs/dbraw/zinc/64/68/21/1129646821.db2.gz POYODVDHVOLZNV-UHFFFAOYSA-N 2 0 337.467 3.698 20 30 EHEDRP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1C#N ZINC000922759678 1129653382 /nfs/dbraw/zinc/65/33/82/1129653382.db2.gz SWYLPCKYHLFFPK-UHFFFAOYSA-N 2 0 349.478 3.631 20 30 EHEDRP C=CC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000766022325 1129817647 /nfs/dbraw/zinc/81/76/47/1129817647.db2.gz RDAPCHNKUMIBJA-UWJYYQICSA-N 2 0 339.483 3.990 20 30 EHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001169592039 1132790854 /nfs/dbraw/zinc/79/08/54/1132790854.db2.gz UEALYNUIBPXOOJ-NRFANRHFSA-N 2 0 348.494 3.948 20 30 EHEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000105459084 1135947758 /nfs/dbraw/zinc/94/77/58/1135947758.db2.gz JMEBUOQNQAXZFN-UHFFFAOYSA-N 2 0 349.478 3.569 20 30 EHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](C)CCC=C(C)C)CC1 ZINC001201496076 1136028112 /nfs/dbraw/zinc/02/81/12/1136028112.db2.gz JYTDRZLDAWUONW-NRFANRHFSA-N 2 0 333.564 3.661 20 30 EHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001171178298 1137288236 /nfs/dbraw/zinc/28/82/36/1137288236.db2.gz FFFXCTZIAAHHEK-IBGZPJMESA-N 2 0 347.506 3.991 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172311846 1137546194 /nfs/dbraw/zinc/54/61/94/1137546194.db2.gz ZHBQCRZXQJKVFC-YYWHXJBOSA-N 2 0 325.500 3.828 20 30 EHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181866681 1139937546 /nfs/dbraw/zinc/93/75/46/1139937546.db2.gz XKLLJGAHLULMBY-GOSISDBHSA-N 2 0 343.515 3.998 20 30 EHEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000266177080 1140651550 /nfs/dbraw/zinc/65/15/50/1140651550.db2.gz DYTRQWROINOAOV-QZTJIDSGSA-N 2 0 343.515 3.715 20 30 EHEDRP C[C@H](Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1cccc(C#N)c1 ZINC001167708988 1016490463 /nfs/dbraw/zinc/49/04/63/1016490463.db2.gz HKQBBMHITFNMPU-KRWDZBQOSA-N 2 0 348.494 3.902 20 30 EHEDRP COc1cc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000578473021 1016620852 /nfs/dbraw/zinc/62/08/52/1016620852.db2.gz ZBYTXUBSSVXBSP-OXJNMPFZSA-N 2 0 341.499 3.700 20 30 EHEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449310876 1032447167 /nfs/dbraw/zinc/44/71/67/1032447167.db2.gz IVCJHFDUTXLCDK-UHFFFAOYSA-N 2 0 341.499 3.722 20 30 EHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC[C@H](C#N)CCC#N)cc2)C1 ZINC000549193833 1017591216 /nfs/dbraw/zinc/59/12/16/1017591216.db2.gz ASNUWEFUCZELLX-OPYAIIAOSA-N 2 0 338.499 3.698 20 30 EHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000924612945 1017873081 /nfs/dbraw/zinc/87/30/81/1017873081.db2.gz NPNDSWFOQWSXJA-OKZBNKHCSA-N 2 0 343.515 3.714 20 30 EHEDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513502201 1019760016 /nfs/dbraw/zinc/76/00/16/1019760016.db2.gz YCAZERYGCMSQHK-XMSQKQJNSA-N 2 0 333.479 3.949 20 30 EHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000602552118 1032967152 /nfs/dbraw/zinc/96/71/52/1032967152.db2.gz SQVRSFJCFXKYMU-KRWDZBQOSA-N 2 0 325.456 3.941 20 30 EHEDRP N#Cc1cccc(C[NH+]2CCC(Nc3cc[nH+]c4ccccc34)CC2)c1 ZINC000593514437 1032966428 /nfs/dbraw/zinc/96/64/28/1032966428.db2.gz AJMUUEUDTVIWLN-UHFFFAOYSA-N 2 0 342.446 3.605 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCN2CCCCCC2)CC1 ZINC000507651951 1021418576 /nfs/dbraw/zinc/41/85/76/1021418576.db2.gz VDPYVXSZSVJXAL-UHFFFAOYSA-N 2 0 325.500 3.856 20 30 EHEDRP CC[NH+](CC)CCOC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426446403 1021603472 /nfs/dbraw/zinc/60/34/72/1021603472.db2.gz XDHATBHPAWAGRD-UHFFFAOYSA-N 2 0 348.918 3.514 20 30 EHEDRP N#Cc1ccc2c(c1)c(CC[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167972931 1022483664 /nfs/dbraw/zinc/48/36/64/1022483664.db2.gz FFAJMZXNTBOUEI-YOFSQIOKSA-N 2 0 348.494 3.592 20 30 EHEDRP CC[N@H+](CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000602697748 1033078053 /nfs/dbraw/zinc/07/80/53/1033078053.db2.gz HYXUNAZUZWEXCM-SFHVURJKSA-N 2 0 335.536 3.720 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000895685661 1024737335 /nfs/dbraw/zinc/73/73/35/1024737335.db2.gz MSYZZCNNVHFVQD-GOSISDBHSA-N 2 0 329.488 3.675 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442719538 1025453599 /nfs/dbraw/zinc/45/35/99/1025453599.db2.gz QFUOAGCVYNFCKI-BMQTXXJKSA-N 2 0 325.500 3.946 20 30 EHEDRP C=CCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423151047 1028212686 /nfs/dbraw/zinc/21/26/86/1028212686.db2.gz CLTWHHRJOULHFS-RXVVDRJESA-N 2 0 326.484 3.968 20 30 EHEDRP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246560105 1028657344 /nfs/dbraw/zinc/65/73/44/1028657344.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 2 0 337.511 3.936 20 30 EHEDRP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059655 1034056589 /nfs/dbraw/zinc/05/65/89/1034056589.db2.gz UFOQUVAXQRGHFG-IBGZPJMESA-N 2 0 325.500 3.699 20 30 EHEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000414159211 1035813295 /nfs/dbraw/zinc/81/32/95/1035813295.db2.gz AZWMYTYGXZKUCW-VAMGGRTRSA-N 2 0 325.500 3.959 20 30 EHEDRP C=CCCCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414307385 1036576677 /nfs/dbraw/zinc/57/66/77/1036576677.db2.gz PFGHNSBDAPXNQM-IBGZPJMESA-N 2 0 330.516 3.738 20 30 EHEDRP CC(CC[NH+]1CCC[C@](C)(C#N)C1)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000591026525 1037208324 /nfs/dbraw/zinc/20/83/24/1037208324.db2.gz JKXHYCOPCBDYFF-WOJBJXKFSA-N 2 0 330.520 3.654 20 30 EHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000343924167 1042843738 /nfs/dbraw/zinc/84/37/38/1042843738.db2.gz NKPYYGMSQJADEN-HDICACEKSA-N 2 0 343.515 3.715 20 30 EHEDRP C=C(C)COCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183338526 1125529807 /nfs/dbraw/zinc/52/98/07/1125529807.db2.gz DOINQAWBEDWXSG-GOSISDBHSA-N 2 0 346.515 3.924 20 30 EHEDRP C[N@@H+](CC#Cc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192143430 1120718347 /nfs/dbraw/zinc/71/83/47/1120718347.db2.gz SBBLRWTWRFUREN-UHFFFAOYSA-N 2 0 333.479 3.672 20 30 EHEDRP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720165 1129714790 /nfs/dbraw/zinc/71/47/90/1129714790.db2.gz PCALBSOCBNYFOC-UTKZUKDTSA-N 2 0 349.478 3.567 20 30 EHEDRP C=CC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000766019119 1129804411 /nfs/dbraw/zinc/80/44/11/1129804411.db2.gz KDOZJEUUFDEUSF-UWJYYQICSA-N 2 0 339.483 3.990 20 30 EHEDRP C=CCOC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001173309283 1132036569 /nfs/dbraw/zinc/03/65/69/1132036569.db2.gz VBKLRJZKFVRIED-UHFFFAOYSA-N 2 0 328.500 3.886 20 30 EHEDRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598010 1132101283 /nfs/dbraw/zinc/10/12/83/1132101283.db2.gz LYMQQGVUQBFBCK-MWXLCCTBSA-N 2 0 325.500 3.913 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817919736 1136846371 /nfs/dbraw/zinc/84/63/71/1136846371.db2.gz VIJHZFXEGBUQBI-QXAKKESOSA-N 2 0 329.488 3.768 20 30 EHEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000818346998 1136870219 /nfs/dbraw/zinc/87/02/19/1136870219.db2.gz MFZWPMYWPGNRMG-KPFFTGBYSA-N 2 0 346.515 3.779 20 30 EHEDRP Nc1cc[nH+]c2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc12 ZINC001171182924 1137293699 /nfs/dbraw/zinc/29/36/99/1137293699.db2.gz WQXHVWNUHCGLRU-UHFFFAOYSA-N 2 0 328.375 3.713 20 30 EHEDRP C[NH+]1C(C)(C)CC([NH2+]CCCOc2ccccc2C#N)CC1(C)C ZINC001171625474 1137501243 /nfs/dbraw/zinc/50/12/43/1137501243.db2.gz IZQQGGIQNGCVAH-UHFFFAOYSA-N 2 0 329.488 3.568 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172308277 1137545709 /nfs/dbraw/zinc/54/57/09/1137545709.db2.gz JMHVRUWXGIOQGA-RXVVDRJESA-N 2 0 337.511 3.900 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172289568 1137548229 /nfs/dbraw/zinc/54/82/29/1137548229.db2.gz FMUQIQFFDMRVSX-GCJKJVERSA-N 2 0 333.479 3.601 20 30 EHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172297288 1137548724 /nfs/dbraw/zinc/54/87/24/1137548724.db2.gz COBXTYAXQRQTOF-GOSISDBHSA-N 2 0 339.527 3.981 20 30 EHEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883343320 1137855939 /nfs/dbraw/zinc/85/59/39/1137855939.db2.gz IQTCRIRQNONZAH-OALUTQOASA-N 2 0 330.516 3.594 20 30 EHEDRP C[NH+](CCCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000118401467 1137933694 /nfs/dbraw/zinc/93/36/94/1137933694.db2.gz RDZCTCMVGHJASP-UHFFFAOYSA-N 2 0 346.478 3.774 20 30 EHEDRP CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886610879 1138101873 /nfs/dbraw/zinc/10/18/73/1138101873.db2.gz MOKCBHGOYJQKFK-ZCNNSNEGSA-N 2 0 325.500 3.959 20 30 EHEDRP CN(CCC#N)c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000264967327 1138689732 /nfs/dbraw/zinc/68/97/32/1138689732.db2.gz PZVPQRUKDIDVIX-UHFFFAOYSA-N 2 0 342.531 3.782 20 30 EHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000104169804 1139197475 /nfs/dbraw/zinc/19/74/75/1139197475.db2.gz KUNGTFYHROFBCB-QGZVFWFLSA-N 2 0 346.519 3.855 20 30 EHEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000267440828 1140791328 /nfs/dbraw/zinc/79/13/28/1140791328.db2.gz OYTXKIZYQJSSNP-HNNXBMFYSA-N 2 0 340.471 3.551 20 30 EHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819242 1015428893 /nfs/dbraw/zinc/42/88/93/1015428893.db2.gz BIDOGDPMALNOLV-FPOVZHCZSA-N 2 0 341.543 3.527 20 30 EHEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449529175 1032702175 /nfs/dbraw/zinc/70/21/75/1032702175.db2.gz VJYFMQPJQLVARM-UHFFFAOYSA-N 2 0 327.394 3.787 20 30 EHEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000160473279 1019199389 /nfs/dbraw/zinc/19/93/89/1019199389.db2.gz WEAAIFIDWAPSSG-KRWDZBQOSA-N 2 0 326.484 3.756 20 30 EHEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483894 1032914325 /nfs/dbraw/zinc/91/43/25/1032914325.db2.gz JUCDDDSJBBZXEH-HLAWJBBLSA-N 2 0 325.500 3.913 20 30 EHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602514829 1032929145 /nfs/dbraw/zinc/92/91/45/1032929145.db2.gz QVAXHWLWEYMINH-UHFFFAOYSA-N 2 0 329.488 3.579 20 30 EHEDRP N#CC1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665464 1033062954 /nfs/dbraw/zinc/06/29/54/1033062954.db2.gz BZEZAUIKGFXHEP-CKHPTIKVSA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442707079 1025434797 /nfs/dbraw/zinc/43/47/97/1025434797.db2.gz FSAYHGNMGRORMG-JWWGGVBKSA-N 2 0 325.500 3.946 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000475580770 1027700550 /nfs/dbraw/zinc/70/05/50/1027700550.db2.gz DIDXDOCVZGAXLA-UHFFFAOYSA-N 2 0 337.511 3.997 20 30 EHEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000924962264 1028322009 /nfs/dbraw/zinc/32/20/09/1028322009.db2.gz DJTHJFZHMMSGHR-HZPDHXFCSA-N 2 0 346.494 3.556 20 30 EHEDRP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000193435636 1033332684 /nfs/dbraw/zinc/33/26/84/1033332684.db2.gz WXXOTHASHYQICC-KRWDZBQOSA-N 2 0 329.488 3.894 20 30 EHEDRP C[C@H](NCc1ccc(C#N)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789431 1038850313 /nfs/dbraw/zinc/85/03/13/1038850313.db2.gz OGRJWTNTVDLIEM-RDJZCZTQSA-N 2 0 325.481 3.620 20 30 EHEDRP C[C@@H](CCC#N)C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520457 1039191581 /nfs/dbraw/zinc/19/15/81/1039191581.db2.gz ZDDQCUOAILMSCR-NRDMVMEKSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237500347 1039263349 /nfs/dbraw/zinc/26/33/49/1039263349.db2.gz XWGYJRHGIVTSFA-ROUUACIJSA-N 2 0 329.488 3.722 20 30 EHEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676324 1042824675 /nfs/dbraw/zinc/82/46/75/1042824675.db2.gz VAQIKKLZMAHSMH-UWJYYQICSA-N 2 0 341.499 3.555 20 30 EHEDRP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000618806659 1128516063 /nfs/dbraw/zinc/51/60/63/1128516063.db2.gz RDFUIRWHHKKTFH-AOMKIAJQSA-N 2 0 349.478 3.837 20 30 EHEDRP CN1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276093 1130368821 /nfs/dbraw/zinc/36/88/21/1130368821.db2.gz VHIMSXOBLMBCPN-MJGOQNOKSA-N 2 0 325.481 3.792 20 30 EHEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000733324645 1131025690 /nfs/dbraw/zinc/02/56/90/1131025690.db2.gz PXJWLXJSAUMBIC-RTBURBONSA-N 2 0 328.500 3.546 20 30 EHEDRP COc1cccc(CC2([NH3+])CC[NH+](C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173591011 1132097079 /nfs/dbraw/zinc/09/70/79/1132097079.db2.gz GXMMOWKNRPSBLQ-UHFFFAOYSA-N 2 0 341.499 3.503 20 30 EHEDRP C#CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000769402570 1133278347 /nfs/dbraw/zinc/27/83/47/1133278347.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 2 0 348.490 3.653 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001171204309 1137324902 /nfs/dbraw/zinc/32/49/02/1137324902.db2.gz VMTNSJHESMCSIF-MOPGFXCFSA-N 2 0 337.511 3.900 20 30 EHEDRP C#CCCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975858 1137525315 /nfs/dbraw/zinc/52/53/15/1137525315.db2.gz GTVANLZZRNPTDA-LJQANCHMSA-N 2 0 338.499 3.985 20 30 EHEDRP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311978 1137743962 /nfs/dbraw/zinc/74/39/62/1137743962.db2.gz ZOPIHRCNCDTRLK-UAFMIMERSA-N 2 0 330.520 3.795 20 30 EHEDRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000180543011 1139843703 /nfs/dbraw/zinc/84/37/03/1139843703.db2.gz SQIBGNZOASJPOW-INIZCTEOSA-N 2 0 327.472 3.647 20 30 EHEDRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172835 1032267468 /nfs/dbraw/zinc/26/74/68/1032267468.db2.gz MNCFVDJCKPNMAX-PPXMBRMGSA-N 2 0 325.500 3.959 20 30 EHEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237059488 1018923568 /nfs/dbraw/zinc/92/35/68/1018923568.db2.gz AMVWXOXVFRRMGV-UHFFFAOYSA-N 2 0 337.467 3.721 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120669399 1019377664 /nfs/dbraw/zinc/37/76/64/1019377664.db2.gz JFGSBOZLOIGPQN-UHFFFAOYSA-N 2 0 329.488 3.511 20 30 EHEDRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507580540 1021370567 /nfs/dbraw/zinc/37/05/67/1021370567.db2.gz OWSHFNNOWKLWMG-KMFTYDHNSA-N 2 0 325.500 3.712 20 30 EHEDRP CC[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC1 ZINC000507639557 1021405254 /nfs/dbraw/zinc/40/52/54/1021405254.db2.gz XGRZPWDZNISZHQ-NYLDSWQDSA-N 2 0 325.500 3.855 20 30 EHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000507633854 1021411936 /nfs/dbraw/zinc/41/19/36/1021411936.db2.gz FSOBUARLCKKOTP-UHFFFAOYSA-N 2 0 325.500 3.856 20 30 EHEDRP C=C(C)COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1OC ZINC000092381377 1023398713 /nfs/dbraw/zinc/39/87/13/1023398713.db2.gz VSEIUYCBYQTSOV-UHFFFAOYSA-N 2 0 346.515 3.814 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000280953345 1024482956 /nfs/dbraw/zinc/48/29/56/1024482956.db2.gz XSSVNNGNAGAEPE-BDHVOXNPSA-N 2 0 340.511 3.753 20 30 EHEDRP Cc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)ccc1C#N ZINC000444002090 1025173047 /nfs/dbraw/zinc/17/30/47/1025173047.db2.gz JAHOVRKPYNUZOX-UHFFFAOYSA-N 2 0 325.500 3.999 20 30 EHEDRP CCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000442827840 1025514199 /nfs/dbraw/zinc/51/41/99/1025514199.db2.gz KVHCPVAOWCCXLT-PMACEKPBSA-N 2 0 325.500 3.961 20 30 EHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422987259 1028111675 /nfs/dbraw/zinc/11/16/75/1028111675.db2.gz IBZQCWCYHJVXSO-SLFFLAALSA-N 2 0 343.540 3.692 20 30 EHEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977822 1032056435 /nfs/dbraw/zinc/05/64/35/1032056435.db2.gz WMZGNJRATFNDAW-APGKQEFDSA-N 2 0 341.499 3.567 20 30 EHEDRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000193435651 1033332588 /nfs/dbraw/zinc/33/25/88/1033332588.db2.gz WXXOTHASHYQICC-QGZVFWFLSA-N 2 0 329.488 3.894 20 30 EHEDRP N#CC1(c2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2)CC1 ZINC000594917051 1033544740 /nfs/dbraw/zinc/54/47/40/1033544740.db2.gz GEELVPUUQLMEML-UHFFFAOYSA-N 2 0 337.511 3.986 20 30 EHEDRP N#CC1(c2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594940470 1033589056 /nfs/dbraw/zinc/58/90/56/1033589056.db2.gz YZEKIEFAXOSIGC-OAQYLSRUSA-N 2 0 345.490 3.853 20 30 EHEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000613256192 1035478437 /nfs/dbraw/zinc/47/84/37/1035478437.db2.gz QREOVRHFPRPMMG-CDJZJNNCSA-N 2 0 337.511 3.959 20 30 EHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000589336427 1036349082 /nfs/dbraw/zinc/34/90/82/1036349082.db2.gz DNKNISPHNHCNCM-LZJOCLMNSA-N 2 0 325.500 3.893 20 30 EHEDRP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271930264 1037823266 /nfs/dbraw/zinc/82/32/66/1037823266.db2.gz HTYKDKOBTQTZRU-UHFFFAOYSA-N 2 0 348.494 3.696 20 30 EHEDRP C=CCOc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000552356309 1039207301 /nfs/dbraw/zinc/20/73/01/1039207301.db2.gz MLHZCYVBJFEDJU-LJQANCHMSA-N 2 0 334.891 3.823 20 30 EHEDRP CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(C[NH+](C)C)c2)c(O)c1 ZINC000914702172 1120956178 /nfs/dbraw/zinc/95/61/78/1120956178.db2.gz YEPREHBEYHIJET-PXLXIMEGSA-N 2 0 339.483 3.919 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000156245198 1129707475 /nfs/dbraw/zinc/70/74/75/1129707475.db2.gz DYISSGCGJZOCOZ-UHFFFAOYSA-N 2 0 329.488 3.511 20 30 EHEDRP CCCCCCC[C@H](CCC)[NH2+]CCCOCCOCCC[NH3+] ZINC001172501847 1131761111 /nfs/dbraw/zinc/76/11/11/1131761111.db2.gz LBVAZKZZOYETTC-IBGZPJMESA-N 2 0 330.557 3.877 20 30 EHEDRP C=CCOC1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173327665 1132048511 /nfs/dbraw/zinc/04/85/11/1132048511.db2.gz QQVXIEQCSBTSPF-JTVPBKEVSA-N 2 0 340.511 3.564 20 30 EHEDRP N#CCC1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336907 1132053232 /nfs/dbraw/zinc/05/32/32/1132053232.db2.gz QUMHNKCRFFYLFE-SGCCOESXSA-N 2 0 337.511 3.913 20 30 EHEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CC1 ZINC001173318619 1132060374 /nfs/dbraw/zinc/06/03/74/1132060374.db2.gz FYLSMGHGBNQJDP-UHFFFAOYSA-N 2 0 346.490 3.675 20 30 EHEDRP C#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000809619056 1135858366 /nfs/dbraw/zinc/85/83/66/1135858366.db2.gz UTLCIJHCPFLTBY-NOTZXAQLSA-N 2 0 330.475 3.953 20 30 EHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)C1 ZINC001199336425 1135895901 /nfs/dbraw/zinc/89/59/01/1135895901.db2.gz OIZNTKLVXCCDMK-DENIHFKCSA-N 2 0 341.543 3.659 20 30 EHEDRP C=C(C)CN1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819024381 1136904412 /nfs/dbraw/zinc/90/44/12/1136904412.db2.gz PDOQMUMEQRZNGI-QGZVFWFLSA-N 2 0 343.298 3.657 20 30 EHEDRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000865765579 1137310094 /nfs/dbraw/zinc/31/00/94/1137310094.db2.gz AUDVTBQZQPPFMU-UHFFFAOYSA-N 2 0 329.488 3.722 20 30 EHEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000866469156 1137357334 /nfs/dbraw/zinc/35/73/34/1137357334.db2.gz HIZHTYROTZRSDG-LEWJYISDSA-N 2 0 325.500 3.961 20 30 EHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172308271 1137545677 /nfs/dbraw/zinc/54/56/77/1137545677.db2.gz JMHVRUWXGIOQGA-GHTZIAJQSA-N 2 0 337.511 3.900 20 30 EHEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1Cc2ccccc2O1 ZINC000883227414 1137849491 /nfs/dbraw/zinc/84/94/91/1137849491.db2.gz QCQSLNDTPLSUJF-ZUQLYSRVSA-N 2 0 326.484 3.540 20 30 EHEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000091412312 1138219413 /nfs/dbraw/zinc/21/94/13/1138219413.db2.gz CFTLICHITJUPQT-NHCUHLMSSA-N 2 0 331.463 3.942 20 30 EHEDRP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000513507146 1019749481 /nfs/dbraw/zinc/74/94/81/1019749481.db2.gz TUPQQVWOJVHUDH-GCJKJVERSA-N 2 0 333.479 3.949 20 30 EHEDRP CCN1CCCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507660992 1021431985 /nfs/dbraw/zinc/43/19/85/1021431985.db2.gz RHTHCAAIYDVFRB-KBWCOIMZSA-N 2 0 325.500 3.855 20 30 EHEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810027 1023651757 /nfs/dbraw/zinc/65/17/57/1023651757.db2.gz WGXGKHIZKAOEAR-WIYYLYMNSA-N 2 0 326.484 3.700 20 30 EHEDRP CN(CCC#N)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000895684722 1024735149 /nfs/dbraw/zinc/73/51/49/1024735149.db2.gz DXECXHJRRBCHOD-UHFFFAOYSA-N 2 0 342.531 3.734 20 30 EHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825963 1024949281 /nfs/dbraw/zinc/94/92/81/1024949281.db2.gz KZKRISDZCJAVPQ-IERDGZPVSA-N 2 0 337.442 3.698 20 30 EHEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)cc1 ZINC000539510353 1025202036 /nfs/dbraw/zinc/20/20/36/1025202036.db2.gz XTRAAPWGXZUMPV-JOCHJYFZSA-N 2 0 346.478 3.659 20 30 EHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281589633 1025267704 /nfs/dbraw/zinc/26/77/04/1025267704.db2.gz DYWNPSPKVSIQSH-UHFFFAOYSA-N 2 0 337.467 3.698 20 30 EHEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420311950 1027460374 /nfs/dbraw/zinc/46/03/74/1027460374.db2.gz WKPGKGRQXFYHQQ-ZDUSSCGKSA-N 2 0 341.268 3.576 20 30 EHEDRP C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129650281 1027587762 /nfs/dbraw/zinc/58/77/62/1027587762.db2.gz QGFDUQSYNVZVKE-NHUPUQRLSA-N 2 0 337.511 3.853 20 30 EHEDRP CC(C)(C#N)c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000594501989 1033404744 /nfs/dbraw/zinc/40/47/44/1033404744.db2.gz WUBZSIMCICJMCG-UHFFFAOYSA-N 2 0 348.494 3.889 20 30 EHEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594920908 1033547337 /nfs/dbraw/zinc/54/73/37/1033547337.db2.gz BUJORCAHKJSQKK-SFHVURJKSA-N 2 0 325.500 3.843 20 30 EHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055180 1033631811 /nfs/dbraw/zinc/63/18/11/1033631811.db2.gz ACDHFYLYWVSGSL-LAUBAEHRSA-N 2 0 325.500 3.733 20 30 EHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658135475 1033969958 /nfs/dbraw/zinc/96/99/58/1033969958.db2.gz DXWKXHULAOHVCP-VQTJNVASSA-N 2 0 340.467 3.643 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929763 1036566855 /nfs/dbraw/zinc/56/68/55/1036566855.db2.gz FQWQWNMCYKTBPE-RXVVDRJESA-N 2 0 349.478 3.589 20 30 EHEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CCCCCC1 ZINC000092277823 1038266729 /nfs/dbraw/zinc/26/67/29/1038266729.db2.gz JRIKGVWRLDFWTC-MRXNPFEDSA-N 2 0 348.560 3.587 20 30 EHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237510635 1039376431 /nfs/dbraw/zinc/37/64/31/1039376431.db2.gz RKOBLVKVOBPCBU-OTWHNJEPSA-N 2 0 343.515 3.825 20 30 EHEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466714 1040288425 /nfs/dbraw/zinc/28/84/25/1040288425.db2.gz SELLKUZPVFUBOK-AEFFLSMTSA-N 2 0 337.442 3.870 20 30 EHEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001167833504 1043005699 /nfs/dbraw/zinc/00/56/99/1043005699.db2.gz CDMGLAHWYRLRHR-NQIIRXRSSA-N 2 0 343.515 3.912 20 30 EHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282206995 1128071416 /nfs/dbraw/zinc/07/14/16/1128071416.db2.gz HEFTXHORVNLCLC-HZGZPEGRSA-N 2 0 325.500 3.817 20 30 EHEDRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231035 1121104358 /nfs/dbraw/zinc/10/43/58/1121104358.db2.gz UQBUMHWOEFXPTH-YLJYHZDGSA-N 2 0 349.478 3.567 20 30 EHEDRP C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282419612 1129769274 /nfs/dbraw/zinc/76/92/74/1129769274.db2.gz SNYWGCDOGRVJFI-LANMQJKKSA-N 2 0 325.500 3.817 20 30 EHEDRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332881 1132050233 /nfs/dbraw/zinc/05/02/33/1132050233.db2.gz VKHZFPUQGONFOE-QUWFBVPJSA-N 2 0 325.500 3.959 20 30 EHEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001173318976 1132060842 /nfs/dbraw/zinc/06/08/42/1132060842.db2.gz SPSKMZFIOCVZOH-UHFFFAOYSA-N 2 0 328.500 3.536 20 30 EHEDRP CCC[N@H+]1C[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398371 1134765499 /nfs/dbraw/zinc/76/54/99/1134765499.db2.gz PDHNWEVDIJVQIZ-IVCWUUCSSA-N 2 0 337.511 3.664 20 30 EHEDRP CCCCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201776738 1136065790 /nfs/dbraw/zinc/06/57/90/1136065790.db2.gz JQUZWEBDYQZRRA-NHCUHLMSSA-N 2 0 345.531 3.575 20 30 EHEDRP N#CC[C@@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852318811 1136447624 /nfs/dbraw/zinc/44/76/24/1136447624.db2.gz CBIMIMYPNVWYKP-PMACEKPBSA-N 2 0 330.520 3.798 20 30 EHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817919867 1136846320 /nfs/dbraw/zinc/84/63/20/1136846320.db2.gz WBIPNMKUMRJQOJ-AYWYSENESA-N 2 0 341.499 3.768 20 30 EHEDRP CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000865407292 1137280581 /nfs/dbraw/zinc/28/05/81/1137280581.db2.gz CJLYTISQNQUSAJ-UHFFFAOYSA-N 2 0 348.494 3.510 20 30 EHEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716731497 1137488521 /nfs/dbraw/zinc/48/85/21/1137488521.db2.gz KGIQSOFWFOFJMK-FKBYEOEOSA-N 2 0 331.463 3.701 20 30 EHEDRP C=CCc1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc(OC)c1O ZINC000873233054 1137594700 /nfs/dbraw/zinc/59/47/00/1137594700.db2.gz XWIGJRMROAVVPY-LJQANCHMSA-N 2 0 344.499 3.531 20 30 EHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000134157359 1137943802 /nfs/dbraw/zinc/94/38/02/1137943802.db2.gz GFBSWGIRDGWDNX-GOSISDBHSA-N 2 0 343.515 3.921 20 30 EHEDRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1)CC(C)C ZINC000886104841 1138046997 /nfs/dbraw/zinc/04/69/97/1138046997.db2.gz LXGPNDLXGHIBHY-FQEVSTJZSA-N 2 0 349.563 3.511 20 30 EHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886605093 1138100986 /nfs/dbraw/zinc/10/09/86/1138100986.db2.gz JKWNIWDTYNXRAF-MNVIUDHYSA-N 2 0 340.511 3.610 20 30 EHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449080959 1032171579 /nfs/dbraw/zinc/17/15/79/1032171579.db2.gz AQZVHWRJVMVDJZ-UHFFFAOYSA-N 2 0 343.515 3.969 20 30 EHEDRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172834 1032266718 /nfs/dbraw/zinc/26/67/18/1032266718.db2.gz MNCFVDJCKPNMAX-MAKTXDPSSA-N 2 0 325.500 3.959 20 30 EHEDRP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000177682250 1018383574 /nfs/dbraw/zinc/38/35/74/1018383574.db2.gz MGYVGZOCNRGQED-UHFFFAOYSA-N 2 0 325.481 3.895 20 30 EHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000602581794 1033001336 /nfs/dbraw/zinc/00/13/36/1033001336.db2.gz KYFZFKHLJFQVIG-XEVCZEQESA-N 2 0 347.547 3.718 20 30 EHEDRP C=CCC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000895260018 1024139229 /nfs/dbraw/zinc/13/92/29/1024139229.db2.gz NQFLJAZZSZGVQC-ACRUOGEOSA-N 2 0 340.511 3.754 20 30 EHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000467447579 1025638426 /nfs/dbraw/zinc/63/84/26/1025638426.db2.gz ASTJCDMMHLWZGF-DYESRHJHSA-N 2 0 325.500 3.733 20 30 EHEDRP CC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422997621 1028114676 /nfs/dbraw/zinc/11/46/76/1028114676.db2.gz VAMYJIHNMABBDG-GUMHCPJTSA-N 2 0 341.499 3.759 20 30 EHEDRP C=CCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423151045 1028211679 /nfs/dbraw/zinc/21/16/79/1028211679.db2.gz CLTWHHRJOULHFS-NQIIRXRSSA-N 2 0 326.484 3.968 20 30 EHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440629004 1028473529 /nfs/dbraw/zinc/47/35/29/1028473529.db2.gz XOKTUCSJOCCBKA-OALUTQOASA-N 2 0 329.488 3.557 20 30 EHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000532207142 1030461401 /nfs/dbraw/zinc/46/14/01/1030461401.db2.gz XGFWYJMFLFOISU-SJORKVTESA-N 2 0 337.467 3.910 20 30 EHEDRP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000532207141 1030462452 /nfs/dbraw/zinc/46/24/52/1030462452.db2.gz XGFWYJMFLFOISU-IRXDYDNUSA-N 2 0 337.467 3.910 20 30 EHEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517372 1033425484 /nfs/dbraw/zinc/42/54/84/1033425484.db2.gz BHMQCFMUASLRFM-UHFFFAOYSA-N 2 0 343.434 3.616 20 30 EHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3ccc(C#N)cc3)CC2)C1 ZINC000595056763 1033634899 /nfs/dbraw/zinc/63/48/99/1033634899.db2.gz WAEPCBSTEXIMDG-DYESRHJHSA-N 2 0 325.500 3.733 20 30 EHEDRP C/C(N[C@@H](C)Cc1ccc(Cl)cc1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001168170327 1036106145 /nfs/dbraw/zinc/10/61/45/1036106145.db2.gz JSHWPJCYZFJRBZ-AWEZNQCLSA-N 2 0 329.875 3.938 20 30 EHEDRP N#CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000398997728 1036606870 /nfs/dbraw/zinc/60/68/70/1036606870.db2.gz QQECZSSPIGDBPY-DHIUTWEWSA-N 2 0 345.490 3.707 20 30 EHEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311158373 1036967613 /nfs/dbraw/zinc/96/76/13/1036967613.db2.gz PADDZEUQWHZVKS-OAQYLSRUSA-N 2 0 336.479 3.863 20 30 EHEDRP C=CCC1([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCOCC1 ZINC000668551205 1039578292 /nfs/dbraw/zinc/57/82/92/1039578292.db2.gz HZQKPBIRSPOLIG-IBGZPJMESA-N 2 0 342.527 3.797 20 30 EHEDRP CO[C@H]1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928066 1131909561 /nfs/dbraw/zinc/90/95/61/1131909561.db2.gz IQOSNZLXQBEPIN-NCYKPQTJSA-N 2 0 341.499 3.588 20 30 EHEDRP N#CCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173327683 1132047801 /nfs/dbraw/zinc/04/78/01/1132047801.db2.gz FNZYRHATDNWRGN-NNRACAPJSA-N 2 0 337.511 3.959 20 30 EHEDRP N#CCC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173326392 1132048399 /nfs/dbraw/zinc/04/83/99/1132048399.db2.gz YNGAYHFQBKBABC-CKHPTIKVSA-N 2 0 325.500 3.961 20 30 EHEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CC1 ZINC001173591237 1132096451 /nfs/dbraw/zinc/09/64/51/1132096451.db2.gz NEZBIJBNPNIOPT-UHFFFAOYSA-N 2 0 329.463 3.634 20 30 EHEDRP CC1(C#N)CCC([NH2+]CCCP(CCC[NH3+])c2ccccc2)CC1 ZINC001173593251 1132098350 /nfs/dbraw/zinc/09/83/50/1132098350.db2.gz KGEWWSFOVASXSM-UHFFFAOYSA-N 2 0 345.471 3.595 20 30 EHEDRP CC[C@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195987 1134712200 /nfs/dbraw/zinc/71/22/00/1134712200.db2.gz QZQLLIKDYYNPHS-TUFLPTIASA-N 2 0 341.499 3.588 20 30 EHEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738602 1135882667 /nfs/dbraw/zinc/88/26/67/1135882667.db2.gz AZHNNKHRUKIUEI-QGZVFWFLSA-N 2 0 337.467 3.671 20 30 EHEDRP CCCCCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201762857 1136061326 /nfs/dbraw/zinc/06/13/26/1136061326.db2.gz XTQGNWYKPKBMEV-SFHVURJKSA-N 2 0 338.536 3.696 20 30 EHEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199172 1137311918 /nfs/dbraw/zinc/31/19/18/1137311918.db2.gz VQGPDFGQKABDBB-ZPMCFJSWSA-N 2 0 348.494 3.656 20 30 EHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 ZINC000866617123 1137369773 /nfs/dbraw/zinc/36/97/73/1137369773.db2.gz FMGFDRYTPZXWLC-XGRCMKMKSA-N 2 0 337.511 3.658 20 30 EHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000825916440 1137662524 /nfs/dbraw/zinc/66/25/24/1137662524.db2.gz OEVIFNJYPMGMAB-UHFFFAOYSA-N 2 0 333.479 3.935 20 30 EHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000181511100 1139911603 /nfs/dbraw/zinc/91/16/03/1139911603.db2.gz CTLQQLOSODCGTB-MSOLQXFVSA-N 2 0 329.488 3.894 20 30 EHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000269466793 1141111756 /nfs/dbraw/zinc/11/17/56/1141111756.db2.gz ZAMKEFUFZYWENV-UHFFFAOYSA-N 2 0 325.431 3.829 20 30 EHEDRP