smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209441219 1118060421 /nfs/dbraw/zinc/06/04/21/1118060421.db2.gz VQKYDAQZDSMQCX-UHFFFAOYSA-N 2 1 264.457 3.541 20 30 CHEDMP CCCCCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201852669 1123151899 /nfs/dbraw/zinc/15/18/99/1123151899.db2.gz GYAYVMHHWORKDC-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201852669 1123151903 /nfs/dbraw/zinc/15/19/03/1123151903.db2.gz GYAYVMHHWORKDC-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201852669 1123151905 /nfs/dbraw/zinc/15/19/05/1123151905.db2.gz GYAYVMHHWORKDC-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000449125080 1124652962 /nfs/dbraw/zinc/65/29/62/1124652962.db2.gz RSICQGVULMCYQF-MRXNPFEDSA-N 2 1 264.457 3.751 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465761 1135245115 /nfs/dbraw/zinc/24/51/15/1135245115.db2.gz YFQQJTYKIRRQIE-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245726945 1125592278 /nfs/dbraw/zinc/59/22/78/1125592278.db2.gz PQLUOSOQHOMLRS-OQIJWPOYSA-N 2 1 284.447 3.736 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091334286 1125750362 /nfs/dbraw/zinc/75/03/62/1125750362.db2.gz XRCXZNVUWQZSLV-IBGZPJMESA-N 2 1 284.447 3.768 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCC#N)cc1 ZINC000178645432 1126817919 /nfs/dbraw/zinc/81/79/19/1126817919.db2.gz SWVVMEKLENPKFT-CQSZACIVSA-N 2 1 282.391 3.525 20 30 CHEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000793526335 1130564883 /nfs/dbraw/zinc/56/48/83/1130564883.db2.gz QPQLMGWVZLHMEY-HZPDHXFCSA-N 2 1 264.457 3.585 20 30 CHEDMP C[C@@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185852054 1126903794 /nfs/dbraw/zinc/90/37/94/1126903794.db2.gz GDZNIBWUCBHKQW-YTQUADARSA-N 2 1 299.462 3.569 20 30 CHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185881556 1126904997 /nfs/dbraw/zinc/90/49/97/1126904997.db2.gz FLFUXNRGJRKBRA-QFBILLFUSA-N 2 1 299.462 3.699 20 30 CHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189896801 1126935919 /nfs/dbraw/zinc/93/59/19/1126935919.db2.gz SZOJZRPGVOGCOE-LPHOPBHVSA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189896801 1126935921 /nfs/dbraw/zinc/93/59/21/1126935921.db2.gz SZOJZRPGVOGCOE-LPHOPBHVSA-N 2 1 297.446 3.570 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CC)C2)CC1 ZINC000174363625 1126961896 /nfs/dbraw/zinc/96/18/96/1126961896.db2.gz UJJHMTZIPAYBFY-DOTOQJQBSA-N 2 1 264.457 3.585 20 30 CHEDMP CC[N@@H+](CCC[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602700777 1127607105 /nfs/dbraw/zinc/60/71/05/1127607105.db2.gz WKVQOXYRVHMCAV-UHFFFAOYSA-N 2 1 291.483 3.703 20 30 CHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411303202 1127852675 /nfs/dbraw/zinc/85/26/75/1127852675.db2.gz UYANXCPIFLYTEX-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP C[C@H](CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000411350611 1127856494 /nfs/dbraw/zinc/85/64/94/1127856494.db2.gz SGQUCFVWBHJBBS-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000540147720 1127962459 /nfs/dbraw/zinc/96/24/59/1127962459.db2.gz PWPVSUASAPKXII-FUHWJXTLSA-N 2 1 278.484 3.689 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000544359924 1127969932 /nfs/dbraw/zinc/96/99/32/1127969932.db2.gz PYLKZSANTNAYGO-INIZCTEOSA-N 2 1 278.484 3.975 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469766302 1128053018 /nfs/dbraw/zinc/05/30/18/1128053018.db2.gz DCPLLAGMWPLUKR-DZFIZOCASA-N 2 1 286.463 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000924984929 1128118863 /nfs/dbraw/zinc/11/88/63/1128118863.db2.gz YSMAHQRQGAZJKW-OAHLLOKOSA-N 2 1 297.446 3.859 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000152999382 1128169051 /nfs/dbraw/zinc/16/90/51/1128169051.db2.gz RGIIUWWRTHITIH-UHFFFAOYSA-N 2 1 264.457 3.729 20 30 CHEDMP C=CCC[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258013 1128561589 /nfs/dbraw/zinc/56/15/89/1128561589.db2.gz DPDSAOPRBYXCLK-IRXDYDNUSA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258013 1128561591 /nfs/dbraw/zinc/56/15/91/1128561591.db2.gz DPDSAOPRBYXCLK-IRXDYDNUSA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258013 1128561592 /nfs/dbraw/zinc/56/15/92/1128561592.db2.gz DPDSAOPRBYXCLK-IRXDYDNUSA-N 2 1 290.451 3.997 20 30 CHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CCC(C#N)CC2)cc1 ZINC000930117555 1128664509 /nfs/dbraw/zinc/66/45/09/1128664509.db2.gz QGJGYWONXCLLLC-UHFFFAOYSA-N 2 1 299.462 3.510 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770105 1117856091 /nfs/dbraw/zinc/85/60/91/1117856091.db2.gz QUTPQZLUFVMDQK-DLBZAZTESA-N 2 1 266.473 3.962 20 30 CHEDMP C=CCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209163400 1118007330 /nfs/dbraw/zinc/00/73/30/1118007330.db2.gz DNOFTKULSLCCBK-UHFFFAOYSA-N 2 1 290.426 3.688 20 30 CHEDMP C=CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209163400 1118007334 /nfs/dbraw/zinc/00/73/34/1118007334.db2.gz DNOFTKULSLCCBK-UHFFFAOYSA-N 2 1 290.426 3.688 20 30 CHEDMP C=CCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001167255914 1118123441 /nfs/dbraw/zinc/12/34/41/1118123441.db2.gz QBBQRBAKFGHODA-GOSISDBHSA-N 2 1 278.484 3.787 20 30 CHEDMP C=C(CC)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000539104239 1118336146 /nfs/dbraw/zinc/33/61/46/1118336146.db2.gz PGBUGXXVKPNMIL-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(CC)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000539104239 1118336149 /nfs/dbraw/zinc/33/61/49/1118336149.db2.gz PGBUGXXVKPNMIL-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539104239 1118336152 /nfs/dbraw/zinc/33/61/52/1118336152.db2.gz PGBUGXXVKPNMIL-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539104239 1118336156 /nfs/dbraw/zinc/33/61/56/1118336156.db2.gz PGBUGXXVKPNMIL-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471585152 1118468842 /nfs/dbraw/zinc/46/88/42/1118468842.db2.gz LBHRCHOTRVBNNJ-HKUYNNGSSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471585152 1118468843 /nfs/dbraw/zinc/46/88/43/1118468843.db2.gz LBHRCHOTRVBNNJ-HKUYNNGSSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245921277 1119385915 /nfs/dbraw/zinc/38/59/15/1119385915.db2.gz GKRWDJQSJKLZBP-SJLPKXTDSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246695349 1119406685 /nfs/dbraw/zinc/40/66/85/1119406685.db2.gz KRGQKUJXKGYDAP-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246695349 1119406686 /nfs/dbraw/zinc/40/66/86/1119406686.db2.gz KRGQKUJXKGYDAP-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000657890109 1119609152 /nfs/dbraw/zinc/60/91/52/1119609152.db2.gz QVTSWGIPKDCUEN-SJORKVTESA-N 2 1 275.440 3.696 20 30 CHEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000658029809 1119667023 /nfs/dbraw/zinc/66/70/23/1119667023.db2.gz AXKSAZRBAOJYQJ-DOTOQJQBSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000658096347 1119681644 /nfs/dbraw/zinc/68/16/44/1119681644.db2.gz DWBNIDGILRRQTE-HOTGVXAUSA-N 2 1 264.457 3.585 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000181511302 1128883703 /nfs/dbraw/zinc/88/37/03/1128883703.db2.gz DWPYRIXZAYGNAV-SJORKVTESA-N 2 1 299.462 3.863 20 30 CHEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903778168 1120189631 /nfs/dbraw/zinc/18/96/31/1120189631.db2.gz JVFQKLLWHBVDKF-SFHVURJKSA-N 2 1 291.483 3.547 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000651758786 1120736618 /nfs/dbraw/zinc/73/66/18/1120736618.db2.gz NVQIVUYOKBGWFA-BDXSIMOUSA-N 2 1 290.495 3.974 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CC)C2)CC1 ZINC000174363582 1121283739 /nfs/dbraw/zinc/28/37/39/1121283739.db2.gz UJJHMTZIPAYBFY-WBVHZDCISA-N 2 1 264.457 3.585 20 30 CHEDMP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](C)C#N ZINC000411211988 1121537626 /nfs/dbraw/zinc/53/76/26/1121537626.db2.gz UCOYTIXRTLPFSQ-KRWDZBQOSA-N 2 1 299.462 3.654 20 30 CHEDMP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](C)C#N ZINC000411211988 1121537631 /nfs/dbraw/zinc/53/76/31/1121537631.db2.gz UCOYTIXRTLPFSQ-KRWDZBQOSA-N 2 1 299.462 3.654 20 30 CHEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509363923 1121551247 /nfs/dbraw/zinc/55/12/47/1121551247.db2.gz CMFZAZLAPNQSOF-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509363923 1121551251 /nfs/dbraw/zinc/55/12/51/1121551251.db2.gz CMFZAZLAPNQSOF-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509363923 1121551258 /nfs/dbraw/zinc/55/12/58/1121551258.db2.gz CMFZAZLAPNQSOF-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509363923 1121551264 /nfs/dbraw/zinc/55/12/64/1121551264.db2.gz CMFZAZLAPNQSOF-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363926 1121551320 /nfs/dbraw/zinc/55/13/20/1121551320.db2.gz CMFZAZLAPNQSOF-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363926 1121551326 /nfs/dbraw/zinc/55/13/26/1121551326.db2.gz CMFZAZLAPNQSOF-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363926 1121551330 /nfs/dbraw/zinc/55/13/30/1121551330.db2.gz CMFZAZLAPNQSOF-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363926 1121551334 /nfs/dbraw/zinc/55/13/34/1121551334.db2.gz CMFZAZLAPNQSOF-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121576986 /nfs/dbraw/zinc/57/69/86/1121576986.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121576989 /nfs/dbraw/zinc/57/69/89/1121576989.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121576997 /nfs/dbraw/zinc/57/69/97/1121576997.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP CCCCCCCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179772135 1121906787 /nfs/dbraw/zinc/90/67/87/1121906787.db2.gz WVUWOXKWTLFSKP-DLBZAZTESA-N 2 1 298.515 3.560 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000514805016 1122453982 /nfs/dbraw/zinc/45/39/82/1122453982.db2.gz ITTRZIJDBMBAEC-PMPSAXMXSA-N 2 1 276.424 3.749 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000514805015 1122454257 /nfs/dbraw/zinc/45/42/57/1122454257.db2.gz ITTRZIJDBMBAEC-OAGGEKHMSA-N 2 1 276.424 3.749 20 30 CHEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)C1CC1 ZINC000439005936 1122746537 /nfs/dbraw/zinc/74/65/37/1122746537.db2.gz WSBCBNRDZNDNJN-LJQANCHMSA-N 2 1 286.463 3.973 20 30 CHEDMP CCCCCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201852821 1123152075 /nfs/dbraw/zinc/15/20/75/1123152075.db2.gz NCWYGYTZKVTODK-UHFFFAOYSA-N 2 1 266.473 3.907 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009566 1123654530 /nfs/dbraw/zinc/65/45/30/1123654530.db2.gz XDGKVPYGWFGYQS-KRWDZBQOSA-N 2 1 266.473 3.835 20 30 CHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(C)oc2C)CC1 ZINC000447530026 1124481234 /nfs/dbraw/zinc/48/12/34/1124481234.db2.gz MZISVXXUAADXMZ-AWEZNQCLSA-N 2 1 276.424 3.588 20 30 CHEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449084785 1124644450 /nfs/dbraw/zinc/64/44/50/1124644450.db2.gz YTKDUQDRJUBISQ-AOCRQIFASA-N 2 1 291.483 3.561 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390851830 1125115669 /nfs/dbraw/zinc/11/56/69/1125115669.db2.gz DVKLTVJDKJYYBS-GOSISDBHSA-N 2 1 286.463 3.843 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390851830 1125115672 /nfs/dbraw/zinc/11/56/72/1125115672.db2.gz DVKLTVJDKJYYBS-GOSISDBHSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390894355 1125115788 /nfs/dbraw/zinc/11/57/88/1125115788.db2.gz JCWSKPKJTRNCMF-SFHVURJKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390894355 1125115795 /nfs/dbraw/zinc/11/57/95/1125115795.db2.gz JCWSKPKJTRNCMF-SFHVURJKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950222 1125189601 /nfs/dbraw/zinc/18/96/01/1125189601.db2.gz SUFPQGLKFCOLNX-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950222 1125189605 /nfs/dbraw/zinc/18/96/05/1125189605.db2.gz SUFPQGLKFCOLNX-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950222 1125189608 /nfs/dbraw/zinc/18/96/08/1125189608.db2.gz SUFPQGLKFCOLNX-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950222 1125189611 /nfs/dbraw/zinc/18/96/11/1125189611.db2.gz SUFPQGLKFCOLNX-PKOBYXMFSA-N 2 1 286.463 3.938 20 30 CHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052208601 1125374927 /nfs/dbraw/zinc/37/49/27/1125374927.db2.gz INSLPWKLORHITF-UHFFFAOYSA-N 2 1 299.462 3.502 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651790346 1129748834 /nfs/dbraw/zinc/74/88/34/1129748834.db2.gz TVGUNLZLGXBJQV-MISYRCLQSA-N 2 1 298.474 3.843 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246220516 1131408946 /nfs/dbraw/zinc/40/89/46/1131408946.db2.gz KXASAOHKCYODFK-GJZGRUSLSA-N 2 1 290.442 3.960 20 30 CHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(C=C2CC[NH2+]CC2)cc1 ZINC001240879633 1130500485 /nfs/dbraw/zinc/50/04/85/1130500485.db2.gz VKRJUGMGDBQTKV-IBGZPJMESA-N 2 1 282.431 3.776 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126578 1130712812 /nfs/dbraw/zinc/71/28/12/1130712812.db2.gz UPQOSVRQOKYYSU-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126578 1130712818 /nfs/dbraw/zinc/71/28/18/1130712818.db2.gz UPQOSVRQOKYYSU-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235394232 1130739754 /nfs/dbraw/zinc/73/97/54/1130739754.db2.gz CONCELJABRLPHV-AFYXXPPBSA-N 2 1 296.474 3.912 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429802 1130744475 /nfs/dbraw/zinc/74/44/75/1130744475.db2.gz ZWAATVYUDDITOS-IAGOWNOFSA-N 2 1 266.473 3.668 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235662537 1130761773 /nfs/dbraw/zinc/76/17/73/1130761773.db2.gz JBZMUWIFQCVTFW-UHFFFAOYSA-N 2 1 274.452 3.735 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235661941 1130762767 /nfs/dbraw/zinc/76/27/67/1130762767.db2.gz ARQKUXXVNGJEGQ-UHFFFAOYSA-N 2 1 280.481 3.796 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710561 1130772258 /nfs/dbraw/zinc/77/22/58/1130772258.db2.gz AYOSEHYGBQKLPR-UHFFFAOYSA-N 2 1 278.484 3.979 20 30 CHEDMP CCCCCCCCCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC001235750689 1130776141 /nfs/dbraw/zinc/77/61/41/1130776141.db2.gz RVBZDKUPPZSQIF-MRXNPFEDSA-N 2 1 254.462 3.798 20 30 CHEDMP C=CCCCCCCCC[N@H+](CC)C1CC[NH2+]CC1 ZINC001235761643 1130776472 /nfs/dbraw/zinc/77/64/72/1130776472.db2.gz NURZXZPRGXMPFG-UHFFFAOYSA-N 2 1 266.473 3.977 20 30 CHEDMP C=CCCCCCCC[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223339 1130896359 /nfs/dbraw/zinc/89/63/59/1130896359.db2.gz OXPMYYUBVRXMEQ-WKILWMFISA-N 2 1 252.446 3.715 20 30 CHEDMP C=CCCCCCCCC[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236224093 1130897449 /nfs/dbraw/zinc/89/74/49/1130897449.db2.gz RKGQJSOTAGUYDD-UHFFFAOYSA-N 2 1 266.473 3.977 20 30 CHEDMP CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236351997 1130917367 /nfs/dbraw/zinc/91/73/67/1130917367.db2.gz GOLYPOSGZCHEOZ-ZIAGYGMSSA-N 2 1 294.405 3.949 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236351997 1130917370 /nfs/dbraw/zinc/91/73/70/1130917370.db2.gz GOLYPOSGZCHEOZ-ZIAGYGMSSA-N 2 1 294.405 3.949 20 30 CHEDMP C=CCCC[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509388 1130959893 /nfs/dbraw/zinc/95/98/93/1130959893.db2.gz KMYCCGRLZPOCJK-UHFFFAOYSA-N 2 1 290.426 3.654 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236820005 1131014693 /nfs/dbraw/zinc/01/46/93/1131014693.db2.gz PJSSABSYPOYFOD-ACTMLHDOSA-N 2 1 264.457 3.572 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237060143 1131042830 /nfs/dbraw/zinc/04/28/30/1131042830.db2.gz XVRUUQBOZBAIKG-KRWDZBQOSA-N 2 1 266.473 3.964 20 30 CHEDMP CCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246546187 1131594305 /nfs/dbraw/zinc/59/43/05/1131594305.db2.gz ZNQFEGXSHLQWTD-VQHPVUNQSA-N 2 1 266.473 3.652 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734089 1132030310 /nfs/dbraw/zinc/03/03/10/1132030310.db2.gz TWLNZMRWGVQKGE-OTWHNJEPSA-N 2 1 284.447 3.595 20 30 CHEDMP C=CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072902 1132121332 /nfs/dbraw/zinc/12/13/32/1132121332.db2.gz NVEZDDXVMVECFQ-REPLKXPHSA-N 2 1 284.447 3.738 20 30 CHEDMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172113588 1132133289 /nfs/dbraw/zinc/13/32/89/1132133289.db2.gz DRGBVQHVZOVQQD-AKHDSKFASA-N 2 1 297.446 3.614 20 30 CHEDMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172113588 1132133293 /nfs/dbraw/zinc/13/32/93/1132133293.db2.gz DRGBVQHVZOVQQD-AKHDSKFASA-N 2 1 297.446 3.614 20 30 CHEDMP C[C@H](CCCC#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172478139 1132227567 /nfs/dbraw/zinc/22/75/67/1132227567.db2.gz BUJJXFBNZJTQGR-IEBWSBKVSA-N 2 1 299.462 3.571 20 30 CHEDMP CC1(C#N)CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590795 1132496577 /nfs/dbraw/zinc/49/65/77/1132496577.db2.gz CJPMNYWWYWDFCW-SVOYEFRLSA-N 2 1 289.467 3.583 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC001205924680 1133630989 /nfs/dbraw/zinc/63/09/89/1133630989.db2.gz KIUMDDFUFWUXLS-KURKYZTESA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952156 1133967494 /nfs/dbraw/zinc/96/74/94/1133967494.db2.gz DAQHTFHWIHKSPW-IBGZPJMESA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952156 1133967500 /nfs/dbraw/zinc/96/75/00/1133967500.db2.gz DAQHTFHWIHKSPW-IBGZPJMESA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952156 1133967502 /nfs/dbraw/zinc/96/75/02/1133967502.db2.gz DAQHTFHWIHKSPW-IBGZPJMESA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCC[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001209160074 1133982396 /nfs/dbraw/zinc/98/23/96/1133982396.db2.gz CBEILVPEXSHFCH-UHFFFAOYSA-N 2 1 286.463 3.939 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476709 1134224915 /nfs/dbraw/zinc/22/49/15/1134224915.db2.gz YFTNSCBWTQNCID-MRXNPFEDSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222230968 1135211816 /nfs/dbraw/zinc/21/18/16/1135211816.db2.gz HWBQDIFWAJYORA-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258582 1135215819 /nfs/dbraw/zinc/21/58/19/1135215819.db2.gz DAJMVNIBOSOPCR-RTBURBONSA-N 2 1 288.479 3.755 20 30 CHEDMP CCCCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465761 1135245107 /nfs/dbraw/zinc/24/51/07/1135245107.db2.gz YFQQJTYKIRRQIE-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000193435421 267374296 /nfs/dbraw/zinc/37/42/96/267374296.db2.gz KVVYKFBCOGIDBD-INIZCTEOSA-N 2 1 299.462 3.863 20 30 CHEDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000193435421 267374299 /nfs/dbraw/zinc/37/42/99/267374299.db2.gz KVVYKFBCOGIDBD-INIZCTEOSA-N 2 1 299.462 3.863 20 30 CHEDMP C=C(C)CN1CCC([NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000571171630 328090540 /nfs/dbraw/zinc/09/05/40/328090540.db2.gz QUPXFUGMAOYGLQ-UHFFFAOYSA-N 2 1 292.854 3.779 20 30 CHEDMP C=C(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423034598 330166317 /nfs/dbraw/zinc/16/63/17/330166317.db2.gz XPHHVPXLXZHIQG-VQTJNVASSA-N 2 1 292.426 3.783 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000177313784 333057353 /nfs/dbraw/zinc/05/73/53/333057353.db2.gz SXWCEPRBBTVRTE-QGZVFWFLSA-N 2 1 286.463 3.638 20 30 CHEDMP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935796 333240450 /nfs/dbraw/zinc/24/04/50/333240450.db2.gz UYQSYXVLQIXNQG-RTBURBONSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000193442307 333250268 /nfs/dbraw/zinc/25/02/68/333250268.db2.gz NMZDLACYLKVDEN-AEFFLSMTSA-N 2 1 276.468 3.682 20 30 CHEDMP C=CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000193442307 333250269 /nfs/dbraw/zinc/25/02/69/333250269.db2.gz NMZDLACYLKVDEN-AEFFLSMTSA-N 2 1 276.468 3.682 20 30 CHEDMP C=CCCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549376 333252868 /nfs/dbraw/zinc/25/28/68/333252868.db2.gz QZZHWEWDMIJGNB-SJORKVTESA-N 2 1 278.484 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC000236689420 333374576 /nfs/dbraw/zinc/37/45/76/333374576.db2.gz KGQMNCFYQPQWKG-UHFFFAOYSA-N 2 1 286.463 3.742 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000245870472 334222205 /nfs/dbraw/zinc/22/22/05/334222205.db2.gz JHXGMLREGDUDCP-DLBZAZTESA-N 2 1 299.462 3.721 20 30 CHEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249114812 334328183 /nfs/dbraw/zinc/32/81/83/334328183.db2.gz RXFSAGIOLFGOGX-JENIJYKNSA-N 2 1 286.463 3.699 20 30 CHEDMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000577029417 335284515 /nfs/dbraw/zinc/28/45/15/335284515.db2.gz QOOJJKMGQAPBLS-LJQANCHMSA-N 2 1 299.462 3.647 20 30 CHEDMP C=C(C)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577735020 335394411 /nfs/dbraw/zinc/39/44/11/335394411.db2.gz RVBUKEWGFDAPFR-INIZCTEOSA-N 2 1 292.492 3.776 20 30 CHEDMP CCCCCCCC[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001201840189 1123155350 /nfs/dbraw/zinc/15/53/50/1123155350.db2.gz OJAOVNZHYVAFDO-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598574 1131712562 /nfs/dbraw/zinc/71/25/62/1131712562.db2.gz BMOJLTKUABNWKN-CVEARBPZSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000772948027 1131719393 /nfs/dbraw/zinc/71/93/93/1131719393.db2.gz DHVCHRFBBCZGDN-HOTGVXAUSA-N 2 1 254.462 3.667 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257219 1133551026 /nfs/dbraw/zinc/55/10/26/1133551026.db2.gz UEELFVPYDLYNSD-MRXNPFEDSA-N 2 1 254.462 3.940 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245726941 1125592096 /nfs/dbraw/zinc/59/20/96/1125592096.db2.gz PQLUOSOQHOMLRS-KANFNMMFSA-N 2 1 284.447 3.736 20 30 CHEDMP C=CCCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278270916 1131237161 /nfs/dbraw/zinc/23/71/61/1131237161.db2.gz ZCKGLALXEFOTEA-UHFFFAOYSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278270916 1131237164 /nfs/dbraw/zinc/23/71/64/1131237164.db2.gz ZCKGLALXEFOTEA-UHFFFAOYSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991481 1130701147 /nfs/dbraw/zinc/70/11/47/1130701147.db2.gz GHBFRGNFNDAIMU-GOSISDBHSA-N 2 1 278.484 3.979 20 30 CHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185881582 1126904974 /nfs/dbraw/zinc/90/49/74/1126904974.db2.gz FLFUXNRGJRKBRA-LPHOPBHVSA-N 2 1 299.462 3.699 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC12CC[NH2+]CC2 ZINC000718613189 1127266911 /nfs/dbraw/zinc/26/69/11/1127266911.db2.gz SQSPLZUQVMKBSW-UHFFFAOYSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CCC)cc2)CC1 ZINC000592291241 1127342520 /nfs/dbraw/zinc/34/25/20/1127342520.db2.gz XFAPOGBDTYYRIH-UHFFFAOYSA-N 2 1 286.463 3.769 20 30 CHEDMP C=C(CC)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000359532809 1127466447 /nfs/dbraw/zinc/46/64/47/1127466447.db2.gz WEHKZLQZACKOED-AWEZNQCLSA-N 2 1 269.392 3.798 20 30 CHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602537109 1127592087 /nfs/dbraw/zinc/59/20/87/1127592087.db2.gz ZELSNPFVOMJPBJ-UHFFFAOYSA-N 2 1 299.462 3.699 20 30 CHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](C)CCC#N ZINC000602591279 1127594856 /nfs/dbraw/zinc/59/48/56/1127594856.db2.gz FYKZSAQVHHYDMO-MRXNPFEDSA-N 2 1 287.451 3.556 20 30 CHEDMP CCC#C[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001168414588 1127648870 /nfs/dbraw/zinc/64/88/70/1127648870.db2.gz QOVKNQCZWNTSPU-SFHVURJKSA-N 2 1 292.511 3.868 20 30 CHEDMP C=CCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000605150342 1127731154 /nfs/dbraw/zinc/73/11/54/1127731154.db2.gz JYOSGFCFLZRENK-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545271818 1128009550 /nfs/dbraw/zinc/00/95/50/1128009550.db2.gz KMYRWSRXGSQKEC-UHOSZYNNSA-N 2 1 286.463 3.841 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCCC)CC1 ZINC000152931651 1128157277 /nfs/dbraw/zinc/15/72/77/1128157277.db2.gz SZDOJOBBLVMZKM-OAHLLOKOSA-N 2 1 252.446 3.585 20 30 CHEDMP CCCCCCCC[N@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663864 1128346084 /nfs/dbraw/zinc/34/60/84/1128346084.db2.gz MNHJJKQZRIWHCC-CABCVRRESA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCCC[N@@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663864 1128346088 /nfs/dbraw/zinc/34/60/88/1128346088.db2.gz MNHJJKQZRIWHCC-CABCVRRESA-N 2 1 290.442 3.770 20 30 CHEDMP C=C(C)C[N@@H+](CC)CCCC1CC[NH+](CC(=C)C)CC1 ZINC000499251514 1128665582 /nfs/dbraw/zinc/66/55/82/1128665582.db2.gz PNMYNFIWXPEIEV-UHFFFAOYSA-N 2 1 278.484 3.953 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258044289 1128686082 /nfs/dbraw/zinc/68/60/82/1128686082.db2.gz LCFCMXXWRAEEPS-ZACQAIPSSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258044289 1128686084 /nfs/dbraw/zinc/68/60/84/1128686084.db2.gz LCFCMXXWRAEEPS-ZACQAIPSSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258044289 1128686086 /nfs/dbraw/zinc/68/60/86/1128686086.db2.gz LCFCMXXWRAEEPS-ZACQAIPSSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001258049167 1128689015 /nfs/dbraw/zinc/68/90/15/1128689015.db2.gz AQQXQNCRPNLGEF-BBWFWOEESA-N 2 1 266.473 3.761 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258051219 1128698825 /nfs/dbraw/zinc/69/88/25/1128698825.db2.gz CLGBRZKRHQOTGC-YESZJQIVSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258051219 1128698827 /nfs/dbraw/zinc/69/88/27/1128698827.db2.gz CLGBRZKRHQOTGC-YESZJQIVSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258051219 1128698828 /nfs/dbraw/zinc/69/88/28/1128698828.db2.gz CLGBRZKRHQOTGC-YESZJQIVSA-N 2 1 266.473 3.619 20 30 CHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246978540 1118049574 /nfs/dbraw/zinc/04/95/74/1118049574.db2.gz HELJVMIVFKQXJN-QFBILLFUSA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246978540 1118049579 /nfs/dbraw/zinc/04/95/79/1118049579.db2.gz HELJVMIVFKQXJN-QFBILLFUSA-N 2 1 297.446 3.570 20 30 CHEDMP C=CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000338549020 1118216263 /nfs/dbraw/zinc/21/62/63/1118216263.db2.gz LIYPXSBNLKXPPX-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000338549020 1118216269 /nfs/dbraw/zinc/21/62/69/1118216269.db2.gz LIYPXSBNLKXPPX-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000338549020 1118216270 /nfs/dbraw/zinc/21/62/70/1118216270.db2.gz LIYPXSBNLKXPPX-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000657567537 1119187933 /nfs/dbraw/zinc/18/79/33/1119187933.db2.gz SSBONHVCLLKHIO-DLBZAZTESA-N 2 1 276.468 3.729 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252915422 1119448595 /nfs/dbraw/zinc/44/85/95/1119448595.db2.gz SXQBKXSQYFHOFY-OWCLPIDISA-N 2 1 254.462 3.665 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252915422 1119448596 /nfs/dbraw/zinc/44/85/96/1119448596.db2.gz SXQBKXSQYFHOFY-OWCLPIDISA-N 2 1 254.462 3.665 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000414178006 1119928920 /nfs/dbraw/zinc/92/89/20/1119928920.db2.gz JPHPGVMAMJSREY-HZPDHXFCSA-N 2 1 276.424 3.608 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCCCC)CC1 ZINC000765834864 1120116391 /nfs/dbraw/zinc/11/63/91/1120116391.db2.gz JHILJAHDXAZZLH-INIZCTEOSA-N 2 1 266.473 3.975 20 30 CHEDMP C#CCN(C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000328264878 1120169045 /nfs/dbraw/zinc/16/90/45/1120169045.db2.gz MEBGQVIOADMACY-LBPRGKRZSA-N 2 1 299.245 3.599 20 30 CHEDMP C=C(C)CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000508990196 1120579351 /nfs/dbraw/zinc/57/93/51/1120579351.db2.gz FJAJUBUQNMYFMQ-UHFFFAOYSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466485 1120981715 /nfs/dbraw/zinc/98/17/15/1120981715.db2.gz UMFUWHSOVMESRP-WMZOPIPTSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467657 1120983690 /nfs/dbraw/zinc/98/36/90/1120983690.db2.gz HBXUVJNEHCCXMN-MSOLQXFVSA-N 2 1 278.484 3.833 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000766124413 1121287465 /nfs/dbraw/zinc/28/74/65/1121287465.db2.gz XTNYNWSNQHAMQP-IAGOWNOFSA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000766124413 1121287470 /nfs/dbraw/zinc/28/74/70/1121287470.db2.gz XTNYNWSNQHAMQP-IAGOWNOFSA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766124413 1121287474 /nfs/dbraw/zinc/28/74/74/1121287474.db2.gz XTNYNWSNQHAMQP-IAGOWNOFSA-N 2 1 266.473 3.763 20 30 CHEDMP C=CC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380609 1121307157 /nfs/dbraw/zinc/30/71/57/1121307157.db2.gz ACFBVONREIQTAZ-RLLQIKCJSA-N 2 1 298.474 3.795 20 30 CHEDMP C=CC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380609 1121307165 /nfs/dbraw/zinc/30/71/65/1121307165.db2.gz ACFBVONREIQTAZ-RLLQIKCJSA-N 2 1 298.474 3.795 20 30 CHEDMP C=CC[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380609 1121307174 /nfs/dbraw/zinc/30/71/74/1121307174.db2.gz ACFBVONREIQTAZ-RLLQIKCJSA-N 2 1 298.474 3.795 20 30 CHEDMP C=CC[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380609 1121307181 /nfs/dbraw/zinc/30/71/81/1121307181.db2.gz ACFBVONREIQTAZ-RLLQIKCJSA-N 2 1 298.474 3.795 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709847847 1121370990 /nfs/dbraw/zinc/37/09/90/1121370990.db2.gz DCMOAVCAUOZOBQ-KRWDZBQOSA-N 2 1 266.473 3.813 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000152973961 1129014441 /nfs/dbraw/zinc/01/44/41/1129014441.db2.gz YKECMEJHAXGDKC-INIZCTEOSA-N 2 1 264.457 3.751 20 30 CHEDMP C=C(CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191359819 1122596642 /nfs/dbraw/zinc/59/66/42/1122596642.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001191359819 1122596643 /nfs/dbraw/zinc/59/66/43/1122596643.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191359819 1122596647 /nfs/dbraw/zinc/59/66/47/1122596647.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000439084509 1122752042 /nfs/dbraw/zinc/75/20/42/1122752042.db2.gz LBCCTKVNHJGLLQ-RDJZCZTQSA-N 2 1 264.457 3.585 20 30 CHEDMP CCCCCCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196632715 1122928705 /nfs/dbraw/zinc/92/87/05/1122928705.db2.gz XNVYWAMTOZWXPK-IRXDYDNUSA-N 2 1 266.473 3.621 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453302756 1123570433 /nfs/dbraw/zinc/57/04/33/1123570433.db2.gz AVGVFZMRAXAJIB-IAGOWNOFSA-N 2 1 272.436 3.624 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453302756 1123570439 /nfs/dbraw/zinc/57/04/39/1123570439.db2.gz AVGVFZMRAXAJIB-IAGOWNOFSA-N 2 1 272.436 3.624 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2cccc(C)c2)CC1 ZINC000866261516 1124042940 /nfs/dbraw/zinc/04/29/40/1124042940.db2.gz VOYDOLNHPMYSNG-QGZVFWFLSA-N 2 1 286.463 3.556 20 30 CHEDMP C=CC[C@@H]1[NH+](CC[C@@H]2CCC[N@@H+]2C)CCCC1(C)C ZINC000444794100 1124065874 /nfs/dbraw/zinc/06/58/74/1124065874.db2.gz UPWHZIXQQZQPMY-HOTGVXAUSA-N 2 1 264.457 3.537 20 30 CHEDMP C=CC[C@@H]1[N@H+](CC[C@@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794100 1124065878 /nfs/dbraw/zinc/06/58/78/1124065878.db2.gz UPWHZIXQQZQPMY-HOTGVXAUSA-N 2 1 264.457 3.537 20 30 CHEDMP C=CC[C@@H]1[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794100 1124065881 /nfs/dbraw/zinc/06/58/81/1124065881.db2.gz UPWHZIXQQZQPMY-HOTGVXAUSA-N 2 1 264.457 3.537 20 30 CHEDMP C[N@@H+](CCC[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000449062476 1124640767 /nfs/dbraw/zinc/64/07/67/1124640767.db2.gz LQVAYBVTXIONQC-UHFFFAOYSA-N 2 1 291.483 3.703 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246025059 1131276157 /nfs/dbraw/zinc/27/61/57/1131276157.db2.gz BSEVDENCDDFMED-ZWKOTPCHSA-N 2 1 298.515 3.562 20 30 CHEDMP C#CCCCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188485 1125018587 /nfs/dbraw/zinc/01/85/87/1125018587.db2.gz COLAGRJQWKRZJD-ROUUACIJSA-N 2 1 290.495 3.813 20 30 CHEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244510 1125244599 /nfs/dbraw/zinc/24/45/99/1125244599.db2.gz XBCZYDXBETYOIB-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244510 1125244602 /nfs/dbraw/zinc/24/46/02/1125244602.db2.gz XBCZYDXBETYOIB-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244510 1125244605 /nfs/dbraw/zinc/24/46/05/1125244605.db2.gz XBCZYDXBETYOIB-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC2(C)CC[NH2+]CC2)cc1 ZINC001168189706 1125367934 /nfs/dbraw/zinc/36/79/34/1125367934.db2.gz YDYOWITVNWMJDZ-SFHVURJKSA-N 2 1 299.462 3.564 20 30 CHEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883227470 1125380941 /nfs/dbraw/zinc/38/09/41/1125380941.db2.gz RHJRKJMNINRNKJ-UMQXSMKFSA-N 2 1 298.474 3.779 20 30 CHEDMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1 ZINC000902975092 1130093732 /nfs/dbraw/zinc/09/37/32/1130093732.db2.gz CEGDPFSWDHJKSM-CTWPCTMYSA-N 2 1 297.446 3.616 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000793531134 1130571589 /nfs/dbraw/zinc/57/15/89/1130571589.db2.gz CZXAMLKALYNPBA-JYJNAYRXSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000793531134 1130571591 /nfs/dbraw/zinc/57/15/91/1130571591.db2.gz CZXAMLKALYNPBA-JYJNAYRXSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024052 1130703398 /nfs/dbraw/zinc/70/33/98/1130703398.db2.gz KBLUNBNBQKGTAJ-UHFFFAOYSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110647 1130712439 /nfs/dbraw/zinc/71/24/39/1130712439.db2.gz KXHLAKDTOKAGTO-QGZVFWFLSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110647 1130712444 /nfs/dbraw/zinc/71/24/44/1130712444.db2.gz KXHLAKDTOKAGTO-QGZVFWFLSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121421 1130713343 /nfs/dbraw/zinc/71/33/43/1130713343.db2.gz DMOCQTGQDKUVOM-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121421 1130713346 /nfs/dbraw/zinc/71/33/46/1130713346.db2.gz DMOCQTGQDKUVOM-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235255445 1130730131 /nfs/dbraw/zinc/73/01/31/1130730131.db2.gz MWSZMFKSWNITLU-ULQDDVLXSA-N 2 1 264.457 3.715 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001235701302 1130770164 /nfs/dbraw/zinc/77/01/64/1130770164.db2.gz AKHMEPNRQBQPGW-UHFFFAOYSA-N 2 1 280.415 3.724 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236044071 1130836403 /nfs/dbraw/zinc/83/64/03/1130836403.db2.gz JAQMYGFMDAUBEU-CVEARBPZSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287329 1130911090 /nfs/dbraw/zinc/91/10/90/1130911090.db2.gz RKXJWDYIIUGFEV-UHFFFAOYSA-N 2 1 272.436 3.597 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055723 1131042247 /nfs/dbraw/zinc/04/22/47/1131042247.db2.gz FHGMGQLUTCHMHL-MRXNPFEDSA-N 2 1 252.446 3.574 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246232106 1131418042 /nfs/dbraw/zinc/41/80/42/1131418042.db2.gz QBXSBOFCILTPKF-LSDHHAIUSA-N 2 1 290.442 3.960 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846227464 1131702163 /nfs/dbraw/zinc/70/21/63/1131702163.db2.gz RRTQREVVJLLCNO-KSZLIROESA-N 2 1 296.499 3.708 20 30 CHEDMP CCCCCCC[C@@H](C)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598574 1131712559 /nfs/dbraw/zinc/71/25/59/1131712559.db2.gz BMOJLTKUABNWKN-CVEARBPZSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246635723 1131752606 /nfs/dbraw/zinc/75/26/06/1131752606.db2.gz LAPNJBXSCPZQPS-IRXDYDNUSA-N 2 1 266.473 3.953 20 30 CHEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982340 1132119575 /nfs/dbraw/zinc/11/95/75/1132119575.db2.gz HKLIYRWMOFVPTL-AZUAARDMSA-N 2 1 298.474 3.821 20 30 CHEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982340 1132119577 /nfs/dbraw/zinc/11/95/77/1132119577.db2.gz HKLIYRWMOFVPTL-AZUAARDMSA-N 2 1 298.474 3.821 20 30 CHEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978019 1132119981 /nfs/dbraw/zinc/11/99/81/1132119981.db2.gz FIFFPUBEQMYZFW-IBGZPJMESA-N 2 1 298.474 3.823 20 30 CHEDMP C=CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075753 1132123862 /nfs/dbraw/zinc/12/38/62/1132123862.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075753 1132123866 /nfs/dbraw/zinc/12/38/66/1132123866.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075753 1132123871 /nfs/dbraw/zinc/12/38/71/1132123871.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C#CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064901 1132124550 /nfs/dbraw/zinc/12/45/50/1132124550.db2.gz ILAKGWIQEHUJBU-OWZKRDHZSA-N 2 1 296.458 3.575 20 30 CHEDMP C=CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172109047 1132130362 /nfs/dbraw/zinc/13/03/62/1132130362.db2.gz GJTKUABWQGOALU-FCGDIQPGSA-N 2 1 284.447 3.909 20 30 CHEDMP C=CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172109047 1132130363 /nfs/dbraw/zinc/13/03/63/1132130363.db2.gz GJTKUABWQGOALU-FCGDIQPGSA-N 2 1 284.447 3.909 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172345783 1132180808 /nfs/dbraw/zinc/18/08/08/1132180808.db2.gz COANLEKBDTTXJV-CVEARBPZSA-N 2 1 254.462 3.667 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491148 1132247431 /nfs/dbraw/zinc/24/74/31/1132247431.db2.gz DNDQLQUUQCIMBR-KBAYOESNSA-N 2 1 291.483 3.831 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500373 1132250223 /nfs/dbraw/zinc/25/02/23/1132250223.db2.gz NAKJASUUJJRXGJ-HKUYNNGSSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@@H](CCCC#N)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172500373 1132250230 /nfs/dbraw/zinc/25/02/30/1132250230.db2.gz NAKJASUUJJRXGJ-HKUYNNGSSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@@H](CCCC#N)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172500373 1132250234 /nfs/dbraw/zinc/25/02/34/1132250234.db2.gz NAKJASUUJJRXGJ-HKUYNNGSSA-N 2 1 299.462 3.523 20 30 CHEDMP C#Cc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001231663842 1132342544 /nfs/dbraw/zinc/34/25/44/1132342544.db2.gz SUEGKEHDNCHQGQ-PMACEKPBSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001231663842 1132342553 /nfs/dbraw/zinc/34/25/53/1132342553.db2.gz SUEGKEHDNCHQGQ-PMACEKPBSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001231663842 1132342560 /nfs/dbraw/zinc/34/25/60/1132342560.db2.gz SUEGKEHDNCHQGQ-PMACEKPBSA-N 2 1 296.458 3.507 20 30 CHEDMP C=C(C)[C@@H]1CC=C(CN2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001208178216 1133899098 /nfs/dbraw/zinc/89/90/98/1133899098.db2.gz NWJALUVBRZETDL-QGZVFWFLSA-N 2 1 288.479 3.848 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([N@H+](C)C3CC3)CC2)CC1 ZINC001208178216 1133899102 /nfs/dbraw/zinc/89/91/02/1133899102.db2.gz NWJALUVBRZETDL-QGZVFWFLSA-N 2 1 288.479 3.848 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001208178216 1133899109 /nfs/dbraw/zinc/89/91/09/1133899109.db2.gz NWJALUVBRZETDL-QGZVFWFLSA-N 2 1 288.479 3.848 20 30 CHEDMP C=CC[NH+](CC=C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940664 1133966734 /nfs/dbraw/zinc/96/67/34/1133966734.db2.gz UWILQMYSWPCMRT-LJQANCHMSA-N 2 1 284.447 3.573 20 30 CHEDMP C=CC[NH+](CC=C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940664 1133966738 /nfs/dbraw/zinc/96/67/38/1133966738.db2.gz UWILQMYSWPCMRT-LJQANCHMSA-N 2 1 284.447 3.573 20 30 CHEDMP C=CCCCCCCCC[N@H+](C)C1CCN(C)CC1 ZINC001209442972 1134023180 /nfs/dbraw/zinc/02/31/80/1134023180.db2.gz JONDPXQHQLYFTQ-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=CCCCCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209442972 1134023183 /nfs/dbraw/zinc/02/31/83/1134023183.db2.gz JONDPXQHQLYFTQ-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=CCCCCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209442972 1134023188 /nfs/dbraw/zinc/02/31/88/1134023188.db2.gz JONDPXQHQLYFTQ-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264857 1135216195 /nfs/dbraw/zinc/21/61/95/1135216195.db2.gz IVFLZIVKAYFJJN-KRWDZBQOSA-N 2 1 264.457 3.589 20 30 CHEDMP C[C@H]1CCC[C@@](C[NH2+]C2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC000449086696 326982854 /nfs/dbraw/zinc/98/28/54/326982854.db2.gz SIGKKDUGEORHHS-FCCDEINASA-N 2 1 291.483 3.559 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565950242 327094534 /nfs/dbraw/zinc/09/45/34/327094534.db2.gz AJRIDFQITDOQAC-GOSISDBHSA-N 2 1 284.447 3.739 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565950242 327094535 /nfs/dbraw/zinc/09/45/35/327094535.db2.gz AJRIDFQITDOQAC-GOSISDBHSA-N 2 1 284.447 3.739 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379657606 330146894 /nfs/dbraw/zinc/14/68/94/330146894.db2.gz TZZRMCMIMCANCQ-WMZOPIPTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379657606 330146896 /nfs/dbraw/zinc/14/68/96/330146896.db2.gz TZZRMCMIMCANCQ-WMZOPIPTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000120197022 330386258 /nfs/dbraw/zinc/38/62/58/330386258.db2.gz CMBLAMXNRPRLOW-WMZOPIPTSA-N 2 1 278.484 3.975 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453330973 331117653 /nfs/dbraw/zinc/11/76/53/331117653.db2.gz YZYXQTNMLUPECM-REPLKXPHSA-N 2 1 284.447 3.738 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000459727209 331296185 /nfs/dbraw/zinc/29/61/85/331296185.db2.gz FXPLLMZAVVSNFG-CQSZACIVSA-N 2 1 296.418 3.771 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490894336 332126475 /nfs/dbraw/zinc/12/64/75/332126475.db2.gz MICMAAOTMLEXSM-UHFFFAOYSA-N 2 1 298.474 3.696 20 30 CHEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000513703568 333034027 /nfs/dbraw/zinc/03/40/27/333034027.db2.gz XLFUGJOOLGZHFV-QGZVFWFLSA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935755 333240471 /nfs/dbraw/zinc/24/04/71/333240471.db2.gz UYQSYXVLQIXNQG-OALUTQOASA-N 2 1 286.463 3.843 20 30 CHEDMP CC(C)[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCC(C)CC1 ZINC000174266459 335151578 /nfs/dbraw/zinc/15/15/78/335151578.db2.gz YCSXVKFCTKCRGM-QGZVFWFLSA-N 2 1 293.499 3.662 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000549755329 334203733 /nfs/dbraw/zinc/20/37/33/334203733.db2.gz UAFWDDGZJRBMSK-UHFFFAOYSA-N 2 1 292.854 3.779 20 30 CHEDMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245825291 334220785 /nfs/dbraw/zinc/22/07/85/334220785.db2.gz ATYAPLZDLTXCLL-BRWVUGGUSA-N 2 1 299.462 3.577 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245932334 334224744 /nfs/dbraw/zinc/22/47/44/334224744.db2.gz SOUAXIIHEQHHFR-DLBZAZTESA-N 2 1 299.462 3.721 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550796067 334228927 /nfs/dbraw/zinc/22/89/27/334228927.db2.gz SRAQZAHPQDKUHH-KSZLIROESA-N 2 1 272.436 3.766 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550796067 334228928 /nfs/dbraw/zinc/22/89/28/334228928.db2.gz SRAQZAHPQDKUHH-KSZLIROESA-N 2 1 272.436 3.766 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccco1 ZINC000565133475 334539936 /nfs/dbraw/zinc/53/99/36/334539936.db2.gz DIWNRRFPWIFYMN-MRXNPFEDSA-N 2 1 276.424 3.753 20 30 CHEDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833112 522852382 /nfs/dbraw/zinc/85/23/82/522852382.db2.gz UFUJGPUGRXJIHX-PKOBYXMFSA-N 2 1 299.462 3.719 20 30 CHEDMP CCCCCCCC[C@@H](CC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172501997 1132251321 /nfs/dbraw/zinc/25/13/21/1132251321.db2.gz HHDFKMJFMAJOLM-QGZVFWFLSA-N 2 1 298.515 3.562 20 30 CHEDMP C#CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245670556 1125586785 /nfs/dbraw/zinc/58/67/85/1125586785.db2.gz HGSIXLQQAVTOKS-ACDBMABISA-N 2 1 296.458 3.575 20 30 CHEDMP C#CCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090398210 1125741505 /nfs/dbraw/zinc/74/15/05/1125741505.db2.gz JAPQAVRYMADJQB-HNNXBMFYSA-N 2 1 281.403 3.635 20 30 CHEDMP CCCCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110802 1130712358 /nfs/dbraw/zinc/71/23/58/1130712358.db2.gz MTFXKTYYIPENJZ-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110802 1130712361 /nfs/dbraw/zinc/71/23/61/1130712361.db2.gz MTFXKTYYIPENJZ-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235762223 1130776555 /nfs/dbraw/zinc/77/65/55/1130776555.db2.gz XECSIOVIKWXUNO-ZHACJKMWSA-N 2 1 266.473 3.977 20 30 CHEDMP C=CCCCCCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584534 1130980953 /nfs/dbraw/zinc/98/09/53/1130980953.db2.gz JHCBPCCVVHJVOB-KRWDZBQOSA-N 2 1 278.484 3.977 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236822522 1131013935 /nfs/dbraw/zinc/01/39/35/1131013935.db2.gz ZTHZCTPZHTWXFC-BZSNNMDCSA-N 2 1 278.484 3.962 20 30 CHEDMP CC[N@@H+](CCC(C)(C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658593 1127686306 /nfs/dbraw/zinc/68/63/06/1127686306.db2.gz CSYPIJUMEMKRAX-UHFFFAOYSA-N 2 1 287.451 3.510 20 30 CHEDMP CCC[NH+]1CCC([N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411302661 1127853740 /nfs/dbraw/zinc/85/37/40/1127853740.db2.gz GFNODGVXQDQMKJ-UHFFFAOYSA-N 2 1 291.483 3.657 20 30 CHEDMP C=C(CC)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000540204663 1127968688 /nfs/dbraw/zinc/96/86/88/1127968688.db2.gz RNEFXXPAPYRJAX-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562640 1127977802 /nfs/dbraw/zinc/97/78/02/1127977802.db2.gz YGAIGXJPQZQVSA-OWCLPIDISA-N 2 1 264.457 3.584 20 30 CHEDMP C=C1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925835118 1128143153 /nfs/dbraw/zinc/14/31/53/1128143153.db2.gz MMOWGMGTIMYUKU-RTBURBONSA-N 2 1 284.447 3.816 20 30 CHEDMP CCCCCCCC[N@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663870 1128346026 /nfs/dbraw/zinc/34/60/26/1128346026.db2.gz MNHJJKQZRIWHCC-HUUCEWRRSA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCCC[N@@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663870 1128346030 /nfs/dbraw/zinc/34/60/30/1128346030.db2.gz MNHJJKQZRIWHCC-HUUCEWRRSA-N 2 1 290.442 3.770 20 30 CHEDMP C=CCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000567122114 1128558494 /nfs/dbraw/zinc/55/84/94/1128558494.db2.gz LWAVEVJFHNJZMO-HOTGVXAUSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccco1 ZINC000565133474 1128520555 /nfs/dbraw/zinc/52/05/55/1128520555.db2.gz DIWNRRFPWIFYMN-INIZCTEOSA-N 2 1 276.424 3.753 20 30 CHEDMP CC(C)(C#N)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000131477565 1128621969 /nfs/dbraw/zinc/62/19/69/1128621969.db2.gz HPYDWPPTJNKMMU-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP CC(C)(C#N)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000131477565 1128621970 /nfs/dbraw/zinc/62/19/70/1128621970.db2.gz HPYDWPPTJNKMMU-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000556863286 1128632134 /nfs/dbraw/zinc/63/21/34/1128632134.db2.gz XDTMNMROXVMDLT-HOTGVXAUSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000556863289 1128632184 /nfs/dbraw/zinc/63/21/84/1128632184.db2.gz XDTMNMROXVMDLT-JKSUJKDBSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364568 1128738987 /nfs/dbraw/zinc/73/89/87/1128738987.db2.gz YTDXLBPHVIDNIQ-KGLIPLIRSA-N 2 1 292.389 3.725 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364568 1128738989 /nfs/dbraw/zinc/73/89/89/1128738989.db2.gz YTDXLBPHVIDNIQ-KGLIPLIRSA-N 2 1 292.389 3.725 20 30 CHEDMP C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623551186 1117871925 /nfs/dbraw/zinc/87/19/25/1117871925.db2.gz OLWNDVFBLQCAIV-ROUUACIJSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562639 1117873143 /nfs/dbraw/zinc/87/31/43/1117873143.db2.gz YGAIGXJPQZQVSA-OAGGEKHMSA-N 2 1 264.457 3.584 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000510728456 1118802560 /nfs/dbraw/zinc/80/25/60/1118802560.db2.gz AOLRRZZUNCLNEC-RDJZCZTQSA-N 2 1 282.447 3.535 20 30 CHEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000657890102 1119609003 /nfs/dbraw/zinc/60/90/03/1119609003.db2.gz QVTSWGIPKDCUEN-DLBZAZTESA-N 2 1 275.440 3.696 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466483 1120981651 /nfs/dbraw/zinc/98/16/51/1120981651.db2.gz UMFUWHSOVMESRP-FUHWJXTLSA-N 2 1 278.484 3.833 20 30 CHEDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001167824368 1120997004 /nfs/dbraw/zinc/99/70/04/1120997004.db2.gz GTPBSIIVPJLBIU-MRXNPFEDSA-N 2 1 279.472 3.655 20 30 CHEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433018485 1121519200 /nfs/dbraw/zinc/51/92/00/1121519200.db2.gz HUCIJKJNLOLKRS-SFHVURJKSA-N 2 1 296.418 3.606 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000411478179 1121591843 /nfs/dbraw/zinc/59/18/43/1121591843.db2.gz ROFJZTRGDJYGBG-UONOGXRCSA-N 2 1 282.391 3.524 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000153034851 1129017295 /nfs/dbraw/zinc/01/72/95/1129017295.db2.gz PDRONXTVGVLQPK-INIZCTEOSA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(C)CCCCCC2)CC1 ZINC000503564121 1122267004 /nfs/dbraw/zinc/26/70/04/1122267004.db2.gz ZFSONWCSUJNYKN-UHFFFAOYSA-N 2 1 278.484 3.977 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000436471830 1122553486 /nfs/dbraw/zinc/55/34/86/1122553486.db2.gz VRFTYFYWMRVGLE-UHFFFAOYSA-N 2 1 298.474 3.737 20 30 CHEDMP CCCCCCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196632713 1122929168 /nfs/dbraw/zinc/92/91/68/1122929168.db2.gz XNVYWAMTOZWXPK-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196632713 1122929170 /nfs/dbraw/zinc/92/91/70/1122929170.db2.gz XNVYWAMTOZWXPK-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001196632713 1122929172 /nfs/dbraw/zinc/92/91/72/1122929172.db2.gz XNVYWAMTOZWXPK-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001196632713 1122929175 /nfs/dbraw/zinc/92/91/75/1122929175.db2.gz XNVYWAMTOZWXPK-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368966 1122956334 /nfs/dbraw/zinc/95/63/34/1122956334.db2.gz PYTDEYDIWQBDMN-MRXNPFEDSA-N 2 1 275.440 3.563 20 30 CHEDMP CCCCCCCC[N@@H+](CC)C1CCN(C)CC1 ZINC001201825987 1123153359 /nfs/dbraw/zinc/15/33/59/1123153359.db2.gz KIYJRHCJNSVGFB-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)C[C@H](C)CC)CC1 ZINC000153016636 1123167716 /nfs/dbraw/zinc/16/77/16/1123167716.db2.gz JZQZCNNWUKJBBG-HZPDHXFCSA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000106246359 1124018038 /nfs/dbraw/zinc/01/80/38/1124018038.db2.gz MKIUZTJFKKPLPY-UHFFFAOYSA-N 2 1 294.442 3.970 20 30 CHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449084831 1124644505 /nfs/dbraw/zinc/64/45/05/1124644505.db2.gz ZBNQVSHZAIRYBM-WWDZGPRUSA-N 2 1 291.483 3.703 20 30 CHEDMP C=CC[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878338064 1125142060 /nfs/dbraw/zinc/14/20/60/1125142060.db2.gz VGPLVOZUUFHVKR-MRXNPFEDSA-N 2 1 287.451 3.585 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214670 1129557491 /nfs/dbraw/zinc/55/74/91/1129557491.db2.gz LDXRMPGSXAZKOJ-SFHVURJKSA-N 2 1 284.447 3.739 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214670 1129557492 /nfs/dbraw/zinc/55/74/92/1129557492.db2.gz LDXRMPGSXAZKOJ-SFHVURJKSA-N 2 1 284.447 3.739 20 30 CHEDMP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343809 1129571911 /nfs/dbraw/zinc/57/19/11/1129571911.db2.gz CNELVDGTJULOPW-JFRXWTBNSA-N 2 1 286.463 3.522 20 30 CHEDMP CCCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098441 1129696720 /nfs/dbraw/zinc/69/67/20/1129696720.db2.gz IDVCJJGPJBHHDG-BJWYYQGGSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119835 1129700648 /nfs/dbraw/zinc/70/06/48/1129700648.db2.gz XKJQXPUWFSRQKZ-VQHPVUNQSA-N 2 1 266.473 3.950 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651790347 1129748715 /nfs/dbraw/zinc/74/87/15/1129748715.db2.gz TVGUNLZLGXBJQV-RLLQIKCJSA-N 2 1 298.474 3.843 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038295 1130705785 /nfs/dbraw/zinc/70/57/85/1130705785.db2.gz FMKNKWRKYWLFQM-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235350217 1130736405 /nfs/dbraw/zinc/73/64/05/1130736405.db2.gz WTYLJHIRYMDAST-WOJBJXKFSA-N 2 1 298.474 3.812 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397882 1130738398 /nfs/dbraw/zinc/73/83/98/1130738398.db2.gz RHAVWSMCQWOVMJ-IAGOWNOFSA-N 2 1 296.474 3.912 20 30 CHEDMP CCCCCCCCC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235393458 1130739401 /nfs/dbraw/zinc/73/94/01/1130739401.db2.gz AHEKSLZCTYKROB-HOTGVXAUSA-N 2 1 284.463 3.746 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235702030 1130770044 /nfs/dbraw/zinc/77/00/44/1130770044.db2.gz GZNFECHLAGJVDO-UHFFFAOYSA-N 2 1 292.426 3.868 20 30 CHEDMP C=CCCCCCCCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235843181 1130787452 /nfs/dbraw/zinc/78/74/52/1130787452.db2.gz XEJWFVORXQQZRN-QGZVFWFLSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC001235962633 1130819479 /nfs/dbraw/zinc/81/94/79/1130819479.db2.gz OGIWLKOHCIICAU-UHFFFAOYSA-N 2 1 298.455 3.582 20 30 CHEDMP CCCCCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000784251903 1130894306 /nfs/dbraw/zinc/89/43/06/1130894306.db2.gz JMSRVNKQUZOCRO-UHFFFAOYSA-N 2 1 266.473 3.907 20 30 CHEDMP CCCCCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000784251903 1130894311 /nfs/dbraw/zinc/89/43/11/1130894311.db2.gz JMSRVNKQUZOCRO-UHFFFAOYSA-N 2 1 266.473 3.907 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314675 1130912655 /nfs/dbraw/zinc/91/26/55/1130912655.db2.gz RVYQYFQYBOJKNF-IIDPFDRSSA-N 2 1 278.484 3.835 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364567 1130920597 /nfs/dbraw/zinc/92/05/97/1130920597.db2.gz YTDXLBPHVIDNIQ-KBPBESRZSA-N 2 1 292.389 3.725 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364567 1130920602 /nfs/dbraw/zinc/92/06/02/1130920602.db2.gz YTDXLBPHVIDNIQ-KBPBESRZSA-N 2 1 292.389 3.725 20 30 CHEDMP Cc1cc(C#N)ccc1C[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550204 1130973295 /nfs/dbraw/zinc/97/32/95/1130973295.db2.gz AITRGXZJKZFMNR-WGSAOQKQSA-N 2 1 299.462 3.595 20 30 CHEDMP CCCCCCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550072 1130973620 /nfs/dbraw/zinc/97/36/20/1130973620.db2.gz CSCAGCCSLIOGHP-QAQDUYKDSA-N 2 1 266.473 3.939 20 30 CHEDMP C=CCCC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566271 1130976865 /nfs/dbraw/zinc/97/68/65/1130976865.db2.gz VNJMVGAVKMNLLB-JCNLHEQBSA-N 2 1 264.457 3.857 20 30 CHEDMP C#Cc1ccc(C[N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236778935 1131003922 /nfs/dbraw/zinc/00/39/22/1131003922.db2.gz CGZGDEZYXLAOBC-WGSAOQKQSA-N 2 1 298.474 3.786 20 30 CHEDMP C#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001144573911 1131661166 /nfs/dbraw/zinc/66/11/66/1131661166.db2.gz TUDHWLDXDLCOQX-HXUWFJFHSA-N 2 1 296.458 3.508 20 30 CHEDMP CCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246637748 1131755785 /nfs/dbraw/zinc/75/57/85/1131755785.db2.gz ZUZHOPPKPGLVSL-YESZJQIVSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246637748 1131755789 /nfs/dbraw/zinc/75/57/89/1131755789.db2.gz ZUZHOPPKPGLVSL-YESZJQIVSA-N 2 1 266.473 3.952 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172487549 1132224045 /nfs/dbraw/zinc/22/40/45/1132224045.db2.gz BVNCNECXIWCURU-ZHALLVOQSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172487549 1132224049 /nfs/dbraw/zinc/22/40/49/1132224049.db2.gz BVNCNECXIWCURU-ZHALLVOQSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172504726 1132254524 /nfs/dbraw/zinc/25/45/24/1132254524.db2.gz IDTXRDYIAPNVMN-QGZVFWFLSA-N 2 1 299.462 3.665 20 30 CHEDMP CCCC[NH+](CCCC)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173327816 1132462292 /nfs/dbraw/zinc/46/22/92/1132462292.db2.gz JBFZOHAPCKVOOJ-UHFFFAOYSA-N 2 1 293.499 3.951 20 30 CHEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590257 1132497279 /nfs/dbraw/zinc/49/72/79/1132497279.db2.gz BEFYFPNCUYUOAE-IPJUCJBFSA-N 2 1 299.462 3.556 20 30 CHEDMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC001233083815 1132573235 /nfs/dbraw/zinc/57/32/35/1132573235.db2.gz CKZBHTJEMOTOPW-UHFFFAOYSA-N 2 1 299.462 3.563 20 30 CHEDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC001233083815 1132573239 /nfs/dbraw/zinc/57/32/39/1132573239.db2.gz CKZBHTJEMOTOPW-UHFFFAOYSA-N 2 1 299.462 3.563 20 30 CHEDMP CCCCCCCCCCC[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918530 1133499065 /nfs/dbraw/zinc/49/90/65/1133499065.db2.gz GOOJLVZOAWBESB-OSYLJGHBSA-N 2 1 266.473 3.654 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296396 1133685430 /nfs/dbraw/zinc/68/54/30/1133685430.db2.gz SFMRSDBHUOJOMS-QGZVFWFLSA-N 2 1 266.473 3.964 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC001208166527 1133893348 /nfs/dbraw/zinc/89/33/48/1133893348.db2.gz BBRVEVGHXKHVRA-GOSISDBHSA-N 2 1 288.479 3.849 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207356 1133987177 /nfs/dbraw/zinc/98/71/77/1133987177.db2.gz VLKHSYFHDWKMPL-UXHICEINSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207356 1133987180 /nfs/dbraw/zinc/98/71/80/1133987180.db2.gz VLKHSYFHDWKMPL-UXHICEINSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344666 1135230046 /nfs/dbraw/zinc/23/00/46/1135230046.db2.gz BVIXPPGBEFTHMS-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344666 1135230050 /nfs/dbraw/zinc/23/00/50/1135230050.db2.gz BVIXPPGBEFTHMS-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624076 1135256069 /nfs/dbraw/zinc/25/60/69/1135256069.db2.gz UHGCHTIMAYWQBP-IIDPFDRSSA-N 2 1 278.484 3.835 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000160022328 264223712 /nfs/dbraw/zinc/22/37/12/264223712.db2.gz UWRLDMNKSHZJRK-NJAFHUGGSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000160022328 264223713 /nfs/dbraw/zinc/22/37/13/264223713.db2.gz UWRLDMNKSHZJRK-NJAFHUGGSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453309061 331114411 /nfs/dbraw/zinc/11/44/11/331114411.db2.gz OUROPTWKAYPACV-REPLKXPHSA-N 2 1 298.474 3.984 20 30 CHEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782288 334317399 /nfs/dbraw/zinc/31/73/99/334317399.db2.gz IAWMDQLNEDZWFG-BRWVUGGUSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782288 334317401 /nfs/dbraw/zinc/31/74/01/334317401.db2.gz IAWMDQLNEDZWFG-BRWVUGGUSA-N 2 1 291.483 3.559 20 30 CHEDMP C=C[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@H]1C=C ZINC000581107548 336009058 /nfs/dbraw/zinc/00/90/58/336009058.db2.gz JSUBJMFIRWCPJT-ROUUACIJSA-N 2 1 276.468 3.848 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(SC)cc2)CC1 ZINC000106246143 526604938 /nfs/dbraw/zinc/60/49/38/526604938.db2.gz VCDSTNMFSAABGK-UHFFFAOYSA-N 2 1 290.476 3.539 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000542700355 1120122173 /nfs/dbraw/zinc/12/21/73/1120122173.db2.gz RUKZTHZWXMDGAX-RDJZCZTQSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255806 1122206730 /nfs/dbraw/zinc/20/67/30/1122206730.db2.gz LAPFYYQLBYDOMJ-MRXNPFEDSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCC[NH+](C)[C@H]1CCC[N@H+](CCCC=C)CC1 ZINC000532825792 1123836294 /nfs/dbraw/zinc/83/62/94/1123836294.db2.gz SRTZPBVIEDVVFV-KRWDZBQOSA-N 2 1 264.457 3.705 20 30 CHEDMP C=CCCC[NH+](C)[C@H]1CCC[N@@H+](CCCC=C)CC1 ZINC000532825792 1123836298 /nfs/dbraw/zinc/83/62/98/1123836298.db2.gz SRTZPBVIEDVVFV-KRWDZBQOSA-N 2 1 264.457 3.705 20 30 CHEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246613167 1131718586 /nfs/dbraw/zinc/71/85/86/1131718586.db2.gz XDROTMYIEFRWAU-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172350608 1132183188 /nfs/dbraw/zinc/18/31/88/1132183188.db2.gz PBKXKQCKTRFOAG-QGZVFWFLSA-N 2 1 298.515 3.826 20 30 CHEDMP C=CCCCCCC[N@H+](C(C)C)C1CCN(C)CC1 ZINC001209440100 1134020864 /nfs/dbraw/zinc/02/08/64/1134020864.db2.gz AWHZCNFBKRXJJK-UHFFFAOYSA-N 2 1 266.473 3.928 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651700778 1129745377 /nfs/dbraw/zinc/74/53/77/1129745377.db2.gz SSLQIIGWHYDQAQ-DOTOQJQBSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109374 1130712188 /nfs/dbraw/zinc/71/21/88/1130712188.db2.gz CKHMCNOEDFZBJB-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109374 1130712191 /nfs/dbraw/zinc/71/21/91/1130712191.db2.gz CKHMCNOEDFZBJB-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360831515 1127513672 /nfs/dbraw/zinc/51/36/72/1127513672.db2.gz FLAYOCDLTRVRNI-LJQANCHMSA-N 2 1 299.462 3.646 20 30 CHEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602451007 1127577925 /nfs/dbraw/zinc/57/79/25/1127577925.db2.gz NKWHXDAKRXAFPE-FGTMMUONSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000602451007 1127577929 /nfs/dbraw/zinc/57/79/29/1127577929.db2.gz NKWHXDAKRXAFPE-FGTMMUONSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602451007 1127577933 /nfs/dbraw/zinc/57/79/33/1127577933.db2.gz NKWHXDAKRXAFPE-FGTMMUONSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000602463573 1127582801 /nfs/dbraw/zinc/58/28/01/1127582801.db2.gz HRHUMQWKUAOEEE-QGZVFWFLSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCC#N)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000602463573 1127582804 /nfs/dbraw/zinc/58/28/04/1127582804.db2.gz HRHUMQWKUAOEEE-QGZVFWFLSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535486 1127592469 /nfs/dbraw/zinc/59/24/69/1127592469.db2.gz OEGSYUHNTNFBHB-SJLPKXTDSA-N 2 1 291.483 3.561 20 30 CHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112351 1127630290 /nfs/dbraw/zinc/63/02/90/1127630290.db2.gz XDTRHIDCCSFEPZ-QGZVFWFLSA-N 2 1 299.462 3.817 20 30 CHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112350 1127630546 /nfs/dbraw/zinc/63/05/46/1127630546.db2.gz XDTRHIDCCSFEPZ-KRWDZBQOSA-N 2 1 299.462 3.817 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403300832 1128062036 /nfs/dbraw/zinc/06/20/36/1128062036.db2.gz ZENGQTYTHSHESN-AWEZNQCLSA-N 2 1 276.415 3.653 20 30 CHEDMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000924784242 1128112994 /nfs/dbraw/zinc/11/29/94/1128112994.db2.gz CMFDLYABNWPDJY-INIZCTEOSA-N 2 1 299.462 3.719 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779750 1128287708 /nfs/dbraw/zinc/28/77/08/1128287708.db2.gz IJTQFSTXHDRZSE-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779750 1128287714 /nfs/dbraw/zinc/28/77/14/1128287714.db2.gz IJTQFSTXHDRZSE-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779750 1128287717 /nfs/dbraw/zinc/28/77/17/1128287717.db2.gz IJTQFSTXHDRZSE-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929406 1128395354 /nfs/dbraw/zinc/39/53/54/1128395354.db2.gz NZRZSVOXZAWTKU-MSOLQXFVSA-N 2 1 278.484 3.835 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001258049169 1128688463 /nfs/dbraw/zinc/68/84/63/1128688463.db2.gz AQQXQNCRPNLGEF-ULQDDVLXSA-N 2 1 266.473 3.761 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000153017487 1119151212 /nfs/dbraw/zinc/15/12/12/1119151212.db2.gz HRLJJSYSMVJDPG-MRXNPFEDSA-N 2 1 290.476 3.756 20 30 CHEDMP C=C(CC)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001167658042 1119311213 /nfs/dbraw/zinc/31/12/13/1119311213.db2.gz BKARLRVDFRVESH-KRWDZBQOSA-N 2 1 278.484 3.929 20 30 CHEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000657876671 1119589979 /nfs/dbraw/zinc/58/99/79/1119589979.db2.gz ZIKRJTYBTGQLIB-FUHWJXTLSA-N 2 1 276.468 3.751 20 30 CHEDMP C=CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000658096349 1119681560 /nfs/dbraw/zinc/68/15/60/1119681560.db2.gz DWBNIDGILRRQTE-JKSUJKDBSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000509702518 1120061898 /nfs/dbraw/zinc/06/18/98/1120061898.db2.gz ZQWJYLOWOXTUHD-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000509702518 1120061902 /nfs/dbraw/zinc/06/19/02/1120061902.db2.gz ZQWJYLOWOXTUHD-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000509702518 1120061907 /nfs/dbraw/zinc/06/19/07/1120061907.db2.gz ZQWJYLOWOXTUHD-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccsc2)CC1 ZINC000462784681 1120198801 /nfs/dbraw/zinc/19/88/01/1120198801.db2.gz GLSNYMWHVMIAGY-OAHLLOKOSA-N 2 1 292.492 3.699 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309711680 1120350344 /nfs/dbraw/zinc/35/03/44/1120350344.db2.gz JOUBCABGEWKIKP-MJGOQNOKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000117883843 1120519669 /nfs/dbraw/zinc/51/96/69/1120519669.db2.gz KRGQKUJXKGYDAP-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000117883843 1120519674 /nfs/dbraw/zinc/51/96/74/1120519674.db2.gz KRGQKUJXKGYDAP-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000117883843 1120519678 /nfs/dbraw/zinc/51/96/78/1120519678.db2.gz KRGQKUJXKGYDAP-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[NH+](C)[C@H]1CCC[N@@H+](CCC(=C)C)CC1 ZINC000508975768 1120567014 /nfs/dbraw/zinc/56/70/14/1120567014.db2.gz HAQSIKDHUDBDAU-KRWDZBQOSA-N 2 1 264.457 3.705 20 30 CHEDMP C=C(C)CC[N@H+](C)[C@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000508975768 1120567009 /nfs/dbraw/zinc/56/70/09/1120567009.db2.gz HAQSIKDHUDBDAU-KRWDZBQOSA-N 2 1 264.457 3.705 20 30 CHEDMP C=C(C)CC[NH+](C)[C@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC000508975768 1120567011 /nfs/dbraw/zinc/56/70/11/1120567011.db2.gz HAQSIKDHUDBDAU-KRWDZBQOSA-N 2 1 264.457 3.705 20 30 CHEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467662 1120984093 /nfs/dbraw/zinc/98/40/93/1120984093.db2.gz HBXUVJNEHCCXMN-ZWKOTPCHSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]CC2CCC(C(C)C)CC2)CC1 ZINC000512014666 1121009395 /nfs/dbraw/zinc/00/93/95/1121009395.db2.gz LWYOYNQQSFGEKF-UHFFFAOYSA-N 2 1 278.484 3.689 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759975089 1121179499 /nfs/dbraw/zinc/17/94/99/1121179499.db2.gz FZEHSQCCBZFIBH-MRXNPFEDSA-N 2 1 254.462 3.763 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205605281 1122656651 /nfs/dbraw/zinc/65/66/51/1122656651.db2.gz ZSHXCBBIDVFHEA-DLBZAZTESA-N 2 1 266.473 3.820 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC001199037645 1123018254 /nfs/dbraw/zinc/01/82/54/1123018254.db2.gz BOMZCCXHOOSWKF-MJGOQNOKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168020109 1123413629 /nfs/dbraw/zinc/41/36/29/1123413629.db2.gz KMFGYOQOKDGJCY-IZZQQSIFSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CCCCCC[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346197143 1123671832 /nfs/dbraw/zinc/67/18/32/1123671832.db2.gz DQUPVDLILJDFEK-UHFFFAOYSA-N 2 1 298.434 3.754 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000346960091 1123736580 /nfs/dbraw/zinc/73/65/80/1123736580.db2.gz KHEAANAKCYPVEC-CQSZACIVSA-N 2 1 296.418 3.771 20 30 CHEDMP C=CC[C@H]1[NH+](CC[C@H]2CCC[N@@H+]2C)CCCC1(C)C ZINC000444794101 1124065820 /nfs/dbraw/zinc/06/58/20/1124065820.db2.gz UPWHZIXQQZQPMY-HZPDHXFCSA-N 2 1 264.457 3.537 20 30 CHEDMP C=CC[C@H]1[N@H+](CC[C@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794101 1124065823 /nfs/dbraw/zinc/06/58/23/1124065823.db2.gz UPWHZIXQQZQPMY-HZPDHXFCSA-N 2 1 264.457 3.537 20 30 CHEDMP C=CC[C@H]1[N@@H+](CC[C@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794101 1124065827 /nfs/dbraw/zinc/06/58/27/1124065827.db2.gz UPWHZIXQQZQPMY-HZPDHXFCSA-N 2 1 264.457 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449121444 1124651829 /nfs/dbraw/zinc/65/18/29/1124651829.db2.gz HQKKKYNZNFWVCR-UHFFFAOYSA-N 2 1 284.403 3.563 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)CCC(F)(F)F)CC1 ZINC000872033115 1124661257 /nfs/dbraw/zinc/66/12/57/1124661257.db2.gz FFGYPDOMOOUENT-CYBMUJFWSA-N 2 1 292.389 3.738 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883167817 1125374381 /nfs/dbraw/zinc/37/43/81/1125374381.db2.gz ILCBLVSYWHJIBZ-LJQANCHMSA-N 2 1 298.474 3.780 20 30 CHEDMP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344368 1129571773 /nfs/dbraw/zinc/57/17/73/1129571773.db2.gz PEXGILXVWQFKQZ-QRVBRYPASA-N 2 1 286.463 3.666 20 30 CHEDMP CCCCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098442 1129696169 /nfs/dbraw/zinc/69/61/69/1129696169.db2.gz IDVCJJGPJBHHDG-OSYLJGHBSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903131615 1130117293 /nfs/dbraw/zinc/11/72/93/1130117293.db2.gz JFVLNVYHKMYZFN-ZXFUBFMLSA-N 2 1 264.457 3.704 20 30 CHEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903195980 1130127887 /nfs/dbraw/zinc/12/78/87/1130127887.db2.gz DSJXDOBWUKHKGF-PQCNYSFFSA-N 2 1 288.479 3.869 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000792232302 1130438770 /nfs/dbraw/zinc/43/87/70/1130438770.db2.gz OQMMAEWTTLVCBS-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678769133 1130452592 /nfs/dbraw/zinc/45/25/92/1130452592.db2.gz LOYWLDJMIXBSDZ-OXQOHEQNSA-N 2 1 298.474 3.940 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC12CC[NH2+]CC2 ZINC001235103828 1130711956 /nfs/dbraw/zinc/71/19/56/1130711956.db2.gz XRQYIRRFDZAYBG-UHFFFAOYSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235702507 1130771843 /nfs/dbraw/zinc/77/18/43/1130771843.db2.gz KZBKJGFOBNEPFS-SFHVURJKSA-N 2 1 272.436 3.597 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC001235714428 1130772421 /nfs/dbraw/zinc/77/24/21/1130772421.db2.gz LFHDBIQRVPPJRB-GOSISDBHSA-N 2 1 276.468 3.611 20 30 CHEDMP CCCCCCC/C=C/C[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235945983 1130813128 /nfs/dbraw/zinc/81/31/28/1130813128.db2.gz HQRWLJFYPFWEKE-MDZDMXLPSA-N 2 1 296.499 3.604 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235945983 1130813131 /nfs/dbraw/zinc/81/31/31/1130813131.db2.gz HQRWLJFYPFWEKE-MDZDMXLPSA-N 2 1 296.499 3.604 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236220929 1130895910 /nfs/dbraw/zinc/89/59/10/1130895910.db2.gz AELNXGVWXLCSSX-ZHACJKMWSA-N 2 1 266.473 3.977 20 30 CHEDMP C=CCCCC[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400482 1130927743 /nfs/dbraw/zinc/92/77/43/1130927743.db2.gz DBSYIYUHBGDROF-UHFFFAOYSA-N 2 1 290.426 3.736 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246560212 1131622601 /nfs/dbraw/zinc/62/26/01/1131622601.db2.gz BQFMPHLGKQSIDP-JYJNAYRXSA-N 2 1 254.462 3.795 20 30 CHEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716717268 1132030858 /nfs/dbraw/zinc/03/08/58/1132030858.db2.gz JABNWEGGEQTAHZ-OTWHNJEPSA-N 2 1 284.447 3.595 20 30 CHEDMP C[N@H+](Cc1ccc(C#N)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638141 1132082879 /nfs/dbraw/zinc/08/28/79/1132082879.db2.gz TXWDOHHFJKHWHH-UHFFFAOYSA-N 2 1 299.462 3.641 20 30 CHEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638141 1132082885 /nfs/dbraw/zinc/08/28/85/1132082885.db2.gz TXWDOHHFJKHWHH-UHFFFAOYSA-N 2 1 299.462 3.641 20 30 CHEDMP C=CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115622 /nfs/dbraw/zinc/11/56/22/1132115622.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115625 /nfs/dbraw/zinc/11/56/25/1132115625.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115627 /nfs/dbraw/zinc/11/56/27/1132115627.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 2 1 272.436 3.547 20 30 CHEDMP CCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105528 1132129988 /nfs/dbraw/zinc/12/99/88/1132129988.db2.gz IVEHHIZGFUKMIL-PHZGNYQRSA-N 2 1 252.446 3.562 20 30 CHEDMP C=C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172110903 1132132648 /nfs/dbraw/zinc/13/26/48/1132132648.db2.gz RBDOPRSCWBFFNY-XMTFNYHQSA-N 2 1 270.420 3.519 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000328104934 1132481876 /nfs/dbraw/zinc/48/18/76/1132481876.db2.gz MHDBPOGVUMVQID-MOPGFXCFSA-N 2 1 290.495 3.670 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000328104934 1132481880 /nfs/dbraw/zinc/48/18/80/1132481880.db2.gz MHDBPOGVUMVQID-MOPGFXCFSA-N 2 1 290.495 3.670 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000328104935 1132482240 /nfs/dbraw/zinc/48/22/40/1132482240.db2.gz MHDBPOGVUMVQID-OALUTQOASA-N 2 1 290.495 3.670 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000328104935 1132482241 /nfs/dbraw/zinc/48/22/41/1132482241.db2.gz MHDBPOGVUMVQID-OALUTQOASA-N 2 1 290.495 3.670 20 30 CHEDMP C=CCCCCC[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206579898 1133721268 /nfs/dbraw/zinc/72/12/68/1133721268.db2.gz ARFOFUWSRMGXDC-MRXNPFEDSA-N 2 1 252.446 3.585 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208600785 1133919872 /nfs/dbraw/zinc/91/98/72/1133919872.db2.gz WKFJGKFJKIRFQX-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957514 1133969687 /nfs/dbraw/zinc/96/96/87/1133969687.db2.gz LJCCRHOSAHZEPL-SFHVURJKSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957514 1133969693 /nfs/dbraw/zinc/96/96/93/1133969693.db2.gz LJCCRHOSAHZEPL-SFHVURJKSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957514 1133969696 /nfs/dbraw/zinc/96/96/96/1133969696.db2.gz LJCCRHOSAHZEPL-SFHVURJKSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957514 1133969701 /nfs/dbraw/zinc/96/97/01/1133969701.db2.gz LJCCRHOSAHZEPL-SFHVURJKSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CCCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209202255 1133988639 /nfs/dbraw/zinc/98/86/39/1133988639.db2.gz DUDAWSGZWWULPP-UHFFFAOYSA-N 2 1 286.463 3.939 20 30 CHEDMP C=CCCCCCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001209436918 1134019662 /nfs/dbraw/zinc/01/96/62/1134019662.db2.gz ZWQZHVMBPOLNGL-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309763 1135223178 /nfs/dbraw/zinc/22/31/78/1135223178.db2.gz RFJQSICJHTZYAL-KRWDZBQOSA-N 2 1 266.473 3.955 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000574005334 334984477 /nfs/dbraw/zinc/98/44/77/334984477.db2.gz IFXIUGCZFZGMAY-WBVHZDCISA-N 2 1 276.468 3.609 20 30 CHEDMP C[C@@H](CCC#N)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000276319289 263035922 /nfs/dbraw/zinc/03/59/22/263035922.db2.gz OKEYPWGJCATRIB-KRWDZBQOSA-N 2 1 299.462 3.523 20 30 CHEDMP N#CCCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450572 263155125 /nfs/dbraw/zinc/15/51/25/263155125.db2.gz NNOGPOFNBACNFW-OTWHNJEPSA-N 2 1 297.446 3.638 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565950249 327094619 /nfs/dbraw/zinc/09/46/19/327094619.db2.gz AJRIDFQITDOQAC-SFHVURJKSA-N 2 1 284.447 3.739 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565950249 327094620 /nfs/dbraw/zinc/09/46/20/327094620.db2.gz AJRIDFQITDOQAC-SFHVURJKSA-N 2 1 284.447 3.739 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658999 330146392 /nfs/dbraw/zinc/14/63/92/330146392.db2.gz XZWZLMWQMCTDJI-AEFFLSMTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658999 330146393 /nfs/dbraw/zinc/14/63/93/330146393.db2.gz XZWZLMWQMCTDJI-AEFFLSMTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000120198086 330386265 /nfs/dbraw/zinc/38/62/65/330386265.db2.gz GKRWDJQSJKLZBP-WMZOPIPTSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923105 333240251 /nfs/dbraw/zinc/24/02/51/333240251.db2.gz RXFSAGIOLFGOGX-SCTDSRPQSA-N 2 1 286.463 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000134166468 334082642 /nfs/dbraw/zinc/08/26/42/334082642.db2.gz BYGFQHGMGDOZPS-FUHWJXTLSA-N 2 1 276.468 3.609 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248735311 334315364 /nfs/dbraw/zinc/31/53/64/334315364.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 2 1 276.468 3.682 20 30 CHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248972722 1125456930 /nfs/dbraw/zinc/45/69/30/1125456930.db2.gz SZOJZRPGVOGCOE-QFBILLFUSA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248972722 1125456932 /nfs/dbraw/zinc/45/69/32/1125456932.db2.gz SZOJZRPGVOGCOE-QFBILLFUSA-N 2 1 297.446 3.570 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543842 1131590744 /nfs/dbraw/zinc/59/07/44/1131590744.db2.gz OECCEYAVAUQUHB-ZWKOTPCHSA-N 2 1 298.515 3.691 20 30 CHEDMP C=CC[N@H+](CCCCCC[NH3+])Cc1ccc(Cl)s1 ZINC000846217562 1131701021 /nfs/dbraw/zinc/70/10/21/1131701021.db2.gz KQBPAXXFTDFMNJ-UHFFFAOYSA-N 2 1 286.872 3.909 20 30 CHEDMP C[C@H](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000248756175 1125674500 /nfs/dbraw/zinc/67/45/00/1125674500.db2.gz GDZNIBWUCBHKQW-QRQLOZEOSA-N 2 1 299.462 3.569 20 30 CHEDMP C=CCC[C@H]([NH2+]C1CCN(CCC)CC1)c1ccco1 ZINC000476003240 1125731183 /nfs/dbraw/zinc/73/11/83/1125731183.db2.gz NAYGAZBBSQQPDR-INIZCTEOSA-N 2 1 276.424 3.751 20 30 CHEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000793526203 1130563776 /nfs/dbraw/zinc/56/37/76/1130563776.db2.gz KXLSAOPFKPBECS-IAGOWNOFSA-N 2 1 266.473 3.833 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181511493 1126856609 /nfs/dbraw/zinc/85/66/09/1126856609.db2.gz SOUAXIIHEQHHFR-SJORKVTESA-N 2 1 299.462 3.721 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccco1 ZINC000286017621 1127253612 /nfs/dbraw/zinc/25/36/12/1127253612.db2.gz JNNMNZXCUGLAMB-ZBFHGGJFSA-N 2 1 287.407 3.718 20 30 CHEDMP CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000593660996 1127393716 /nfs/dbraw/zinc/39/37/16/1127393716.db2.gz VEXRWUFWBQVOCR-IAGOWNOFSA-N 2 1 291.483 3.703 20 30 CHEDMP C[C@@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000602459962 1127581669 /nfs/dbraw/zinc/58/16/69/1127581669.db2.gz PHVDYVLBWKTULX-ZWKOTPCHSA-N 2 1 291.483 3.514 20 30 CHEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000409446734 1127768738 /nfs/dbraw/zinc/76/87/38/1127768738.db2.gz POTQSKYZACELRR-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000409446734 1127768741 /nfs/dbraw/zinc/76/87/41/1127768741.db2.gz POTQSKYZACELRR-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000409446734 1127768742 /nfs/dbraw/zinc/76/87/42/1127768742.db2.gz POTQSKYZACELRR-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000409446734 1127768745 /nfs/dbraw/zinc/76/87/45/1127768745.db2.gz POTQSKYZACELRR-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609823504 1128727410 /nfs/dbraw/zinc/72/74/10/1128727410.db2.gz LTRVLPVGVUTYDY-MRXNPFEDSA-N 2 1 299.462 3.671 20 30 CHEDMP C=C(Cl)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683497 1117925348 /nfs/dbraw/zinc/92/53/48/1117925348.db2.gz LVFBLJKSVVSJEW-MRXNPFEDSA-N 2 1 290.838 3.526 20 30 CHEDMP C=C(Cl)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842683497 1117925350 /nfs/dbraw/zinc/92/53/50/1117925350.db2.gz LVFBLJKSVVSJEW-MRXNPFEDSA-N 2 1 290.838 3.526 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657352576 1119022839 /nfs/dbraw/zinc/02/28/39/1119022839.db2.gz KCLWFVZKGRDHGG-UHFFFAOYSA-N 2 1 297.446 3.606 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000375887853 1119779440 /nfs/dbraw/zinc/77/94/40/1119779440.db2.gz JVUXOKPXNRVBIG-XHSDSOJGSA-N 2 1 274.408 3.503 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000375887853 1119779444 /nfs/dbraw/zinc/77/94/44/1119779444.db2.gz JVUXOKPXNRVBIG-XHSDSOJGSA-N 2 1 274.408 3.503 20 30 CHEDMP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000414178005 1119928516 /nfs/dbraw/zinc/92/85/16/1119928516.db2.gz JPHPGVMAMJSREY-HOTGVXAUSA-N 2 1 276.424 3.608 20 30 CHEDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181513813 1128884889 /nfs/dbraw/zinc/88/48/89/1128884889.db2.gz XVBFKCLNBGNMQZ-BBWFWOEESA-N 2 1 299.462 3.577 20 30 CHEDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC000181846808 1128908031 /nfs/dbraw/zinc/90/80/31/1128908031.db2.gz MVQNAHKLQJIUAZ-MRXNPFEDSA-N 2 1 287.451 3.718 20 30 CHEDMP C=CC[N@@H+](Cc1cccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336971 1120832990 /nfs/dbraw/zinc/83/29/90/1120832990.db2.gz XTYXITWYNDRXCY-UHFFFAOYSA-N 2 1 298.455 3.582 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780516 1120979215 /nfs/dbraw/zinc/97/92/15/1120979215.db2.gz RREHZBZALPEEPD-YQVWRLOYSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237751 1121219601 /nfs/dbraw/zinc/21/96/01/1121219601.db2.gz VQTLTSDXUQCWIU-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237751 1121219604 /nfs/dbraw/zinc/21/96/04/1121219604.db2.gz VQTLTSDXUQCWIU-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237751 1121219607 /nfs/dbraw/zinc/21/96/07/1121219607.db2.gz VQTLTSDXUQCWIU-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000766124411 1121287743 /nfs/dbraw/zinc/28/77/43/1121287743.db2.gz XTNYNWSNQHAMQP-DLBZAZTESA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766124411 1121287747 /nfs/dbraw/zinc/28/77/47/1121287747.db2.gz XTNYNWSNQHAMQP-DLBZAZTESA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766124411 1121287752 /nfs/dbraw/zinc/28/77/52/1121287752.db2.gz XTNYNWSNQHAMQP-DLBZAZTESA-N 2 1 266.473 3.763 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000152934547 1129012919 /nfs/dbraw/zinc/01/29/19/1129012919.db2.gz WVWATRHSLNOPRF-KRWDZBQOSA-N 2 1 286.463 3.995 20 30 CHEDMP C=CCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003214 1123174233 /nfs/dbraw/zinc/17/42/33/1123174233.db2.gz KECQPVXGXFZSDS-JWTNVVGKSA-N 2 1 276.468 3.680 20 30 CHEDMP C=CCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003214 1123174234 /nfs/dbraw/zinc/17/42/34/1123174234.db2.gz KECQPVXGXFZSDS-JWTNVVGKSA-N 2 1 276.468 3.680 20 30 CHEDMP C=CCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003214 1123174236 /nfs/dbraw/zinc/17/42/36/1123174236.db2.gz KECQPVXGXFZSDS-JWTNVVGKSA-N 2 1 276.468 3.680 20 30 CHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000526941597 1124530257 /nfs/dbraw/zinc/53/02/57/1124530257.db2.gz DIZZBLZWBVZTRA-MRXNPFEDSA-N 2 1 299.462 3.671 20 30 CHEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530950221 1125189738 /nfs/dbraw/zinc/18/97/38/1125189738.db2.gz SUFPQGLKFCOLNX-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530950221 1125189742 /nfs/dbraw/zinc/18/97/42/1125189742.db2.gz SUFPQGLKFCOLNX-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530950221 1125189746 /nfs/dbraw/zinc/18/97/46/1125189746.db2.gz SUFPQGLKFCOLNX-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530950221 1125189749 /nfs/dbraw/zinc/18/97/49/1125189749.db2.gz SUFPQGLKFCOLNX-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2(C)CC[NH2+]CC2)cc1 ZINC001168189705 1125367855 /nfs/dbraw/zinc/36/78/55/1125367855.db2.gz YDYOWITVNWMJDZ-GOSISDBHSA-N 2 1 299.462 3.564 20 30 CHEDMP C=CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccco1 ZINC000643548477 1129445104 /nfs/dbraw/zinc/44/51/04/1129445104.db2.gz PZRVBTHQODJXOY-HUUCEWRRSA-N 2 1 274.408 3.551 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119836 1129699927 /nfs/dbraw/zinc/69/99/27/1129699927.db2.gz XKJQXPUWFSRQKZ-WCXIOVBPSA-N 2 1 266.473 3.950 20 30 CHEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651668703 1129743348 /nfs/dbraw/zinc/74/33/48/1129743348.db2.gz VISWZBKLFYGBHV-FXAWDEMLSA-N 2 1 298.474 3.985 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220519 1131408763 /nfs/dbraw/zinc/40/87/63/1131408763.db2.gz KXASAOHKCYODFK-LSDHHAIUSA-N 2 1 290.442 3.960 20 30 CHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239808585 1130116873 /nfs/dbraw/zinc/11/68/73/1130116873.db2.gz FOGHONQJXIPIPM-IBGZPJMESA-N 2 1 293.414 3.530 20 30 CHEDMP N#CC1(CCCC[N@H+](CCC[NH3+])CC2CCCC2)CCC1 ZINC000903749599 1130196638 /nfs/dbraw/zinc/19/66/38/1130196638.db2.gz MSAXXBVVIGRKOE-UHFFFAOYSA-N 2 1 291.483 3.692 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235674312 1130765545 /nfs/dbraw/zinc/76/55/45/1130765545.db2.gz RPIQXVDVKMFJRQ-FDMDGMSGSA-N 2 1 252.446 3.574 20 30 CHEDMP C=CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001235962707 1130819217 /nfs/dbraw/zinc/81/92/17/1130819217.db2.gz PLFSALYYIZFQMA-UHFFFAOYSA-N 2 1 298.455 3.582 20 30 CHEDMP C=CCCCCCCCC[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409191 1130931605 /nfs/dbraw/zinc/93/16/05/1130931605.db2.gz YKWXFYCWLBLRKG-KRWDZBQOSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCCCC[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458682 1130946391 /nfs/dbraw/zinc/94/63/91/1130946391.db2.gz VPGBCAROCZCQTL-UHFFFAOYSA-N 2 1 266.473 3.833 20 30 CHEDMP CCCCCCCCC[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236459629 1130947193 /nfs/dbraw/zinc/94/71/93/1130947193.db2.gz BOFSGIBOKQRXCM-UHFFFAOYSA-N 2 1 298.515 3.828 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815143421 1130965498 /nfs/dbraw/zinc/96/54/98/1130965498.db2.gz KJSZMHOTOJASBZ-QGZVFWFLSA-N 2 1 266.473 3.765 20 30 CHEDMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001236551027 1130973053 /nfs/dbraw/zinc/97/30/53/1130973053.db2.gz JKYHVZDHEKOJPS-WGSAOQKQSA-N 2 1 299.462 3.595 20 30 CHEDMP C=CCCCCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550043 1130973585 /nfs/dbraw/zinc/97/35/85/1130973585.db2.gz BOAOQPZXKBOHRH-QAQDUYKDSA-N 2 1 264.457 3.715 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2C)CC1 ZINC000815577650 1131003100 /nfs/dbraw/zinc/00/31/00/1131003100.db2.gz VXCFBWGZQAPENP-OAHLLOKOSA-N 2 1 290.426 3.825 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)CC1 ZINC001236826944 1131016238 /nfs/dbraw/zinc/01/62/38/1131016238.db2.gz DIZFSDASSAKZNJ-QZTJIDSGSA-N 2 1 276.468 3.611 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203406 1131071130 /nfs/dbraw/zinc/07/11/30/1131071130.db2.gz GFURQOAKKBYCAU-CVEARBPZSA-N 2 1 252.446 3.715 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203406 1131071134 /nfs/dbraw/zinc/07/11/34/1131071134.db2.gz GFURQOAKKBYCAU-CVEARBPZSA-N 2 1 252.446 3.715 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380206 1131093110 /nfs/dbraw/zinc/09/31/10/1131093110.db2.gz FZKSWQRWTQVONU-MSOLQXFVSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246568245 1131637232 /nfs/dbraw/zinc/63/72/32/1131637232.db2.gz KSSLBYRVKBYQGP-XHSDSOJGSA-N 2 1 272.452 3.887 20 30 CHEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246568245 1131637233 /nfs/dbraw/zinc/63/72/33/1131637233.db2.gz KSSLBYRVKBYQGP-XHSDSOJGSA-N 2 1 272.452 3.887 20 30 CHEDMP CCCCCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000772948029 1131719847 /nfs/dbraw/zinc/71/98/47/1131719847.db2.gz DHVCHRFBBCZGDN-HZPDHXFCSA-N 2 1 254.462 3.667 20 30 CHEDMP CCCCCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625158 1131722218 /nfs/dbraw/zinc/72/22/18/1131722218.db2.gz PMIYRHMXWSIOCB-ZACQAIPSSA-N 2 1 266.473 3.667 20 30 CHEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246794839 1131784258 /nfs/dbraw/zinc/78/42/58/1131784258.db2.gz HDLNOJKQZCWGMK-JKSUJKDBSA-N 2 1 254.462 3.796 20 30 CHEDMP CCCCCCCCCC[N@@H+](C)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246938883 1131822220 /nfs/dbraw/zinc/82/22/20/1131822220.db2.gz OTZQNGRRPHWQMN-KRWDZBQOSA-N 2 1 296.499 3.580 20 30 CHEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716717267 1132030814 /nfs/dbraw/zinc/03/08/14/1132030814.db2.gz JABNWEGGEQTAHZ-FHWLQOOXSA-N 2 1 284.447 3.595 20 30 CHEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062246 1132126024 /nfs/dbraw/zinc/12/60/24/1132126024.db2.gz LGXCDMSVEFKLQH-LDLYASANSA-N 2 1 296.458 3.574 20 30 CHEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062246 1132126028 /nfs/dbraw/zinc/12/60/28/1132126028.db2.gz LGXCDMSVEFKLQH-LDLYASANSA-N 2 1 296.458 3.574 20 30 CHEDMP CCCCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107929 1132129894 /nfs/dbraw/zinc/12/98/94/1132129894.db2.gz LUBVGUPADJBYRI-BJWYYQGGSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172255358 1132151311 /nfs/dbraw/zinc/15/13/11/1132151311.db2.gz PMAKPKSEXYMQGQ-UHFFFAOYSA-N 2 1 298.515 3.780 20 30 CHEDMP CCCCCCCC[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172255358 1132151315 /nfs/dbraw/zinc/15/13/15/1132151315.db2.gz PMAKPKSEXYMQGQ-UHFFFAOYSA-N 2 1 298.515 3.780 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172350606 1132182643 /nfs/dbraw/zinc/18/26/43/1132182643.db2.gz PBKXKQCKTRFOAG-KRWDZBQOSA-N 2 1 298.515 3.826 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172479124 1132228451 /nfs/dbraw/zinc/22/84/51/1132228451.db2.gz JSBHGRVHXOCACV-LMMKCTJWSA-N 2 1 299.462 3.711 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172479124 1132228454 /nfs/dbraw/zinc/22/84/54/1132228454.db2.gz JSBHGRVHXOCACV-LMMKCTJWSA-N 2 1 299.462 3.711 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493818 1132247986 /nfs/dbraw/zinc/24/79/86/1132247986.db2.gz WBDPVONRYGMOIF-BFYDXBDKSA-N 2 1 277.456 3.583 20 30 CHEDMP C=C(C)C[N@H+](CC)C1CCC([NH+](CC)CC)CC1 ZINC001173114364 1132395042 /nfs/dbraw/zinc/39/50/42/1132395042.db2.gz IBMOHFKFHKIVTC-UHFFFAOYSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001232019113 1132412461 /nfs/dbraw/zinc/41/24/61/1132412461.db2.gz VUIXXZPKBQLVFU-UHFFFAOYSA-N 2 1 269.392 3.884 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000328104937 1132481784 /nfs/dbraw/zinc/48/17/84/1132481784.db2.gz MHDBPOGVUMVQID-RTBURBONSA-N 2 1 290.495 3.670 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000328104937 1132481787 /nfs/dbraw/zinc/48/17/87/1132481787.db2.gz MHDBPOGVUMVQID-RTBURBONSA-N 2 1 290.495 3.670 20 30 CHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001162403563 1133074738 /nfs/dbraw/zinc/07/47/38/1133074738.db2.gz FHPKQSHINVSQFN-QXAKKESOSA-N 2 1 299.462 3.691 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156995 1133665534 /nfs/dbraw/zinc/66/55/34/1133665534.db2.gz VKQPDGDKOOOWJM-HZPDHXFCSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156995 1133665535 /nfs/dbraw/zinc/66/55/35/1133665535.db2.gz VKQPDGDKOOOWJM-HZPDHXFCSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206540851 1133714983 /nfs/dbraw/zinc/71/49/83/1133714983.db2.gz DIQRBMIQNYCSCV-MRXNPFEDSA-N 2 1 252.446 3.574 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCc2nccn2CC1 ZINC001208119208 1133878270 /nfs/dbraw/zinc/87/82/70/1133878270.db2.gz YARUTZRQVVQHLV-CMDGGOBGSA-N 2 1 275.440 3.658 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208119208 1133878272 /nfs/dbraw/zinc/87/82/72/1133878272.db2.gz YARUTZRQVVQHLV-CMDGGOBGSA-N 2 1 275.440 3.658 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208119208 1133878274 /nfs/dbraw/zinc/87/82/74/1133878274.db2.gz YARUTZRQVVQHLV-CMDGGOBGSA-N 2 1 275.440 3.658 20 30 CHEDMP CCCCCCC[N@H+](CC)C[C@H]1CCC[NH+](C)C1 ZINC001208608748 1133918209 /nfs/dbraw/zinc/91/82/09/1133918209.db2.gz RWUVEWDPQKSRBI-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC[N@@H+](CC)C[C@H]1CCC[NH+](C)C1 ZINC001208608748 1133918212 /nfs/dbraw/zinc/91/82/12/1133918212.db2.gz RWUVEWDPQKSRBI-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC[NH+](CC)C[C@H]1CCC[N@H+](C)C1 ZINC001208608748 1133918215 /nfs/dbraw/zinc/91/82/15/1133918215.db2.gz RWUVEWDPQKSRBI-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC[NH+](CC)C[C@H]1CCC[N@@H+](C)C1 ZINC001208608748 1133918217 /nfs/dbraw/zinc/91/82/17/1133918217.db2.gz RWUVEWDPQKSRBI-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001208599312 1133918980 /nfs/dbraw/zinc/91/89/80/1133918980.db2.gz DPIMTHPXGWGVIA-UHFFFAOYSA-N 2 1 254.462 3.621 20 30 CHEDMP C=CCCCCCCC[N@H+](C)C1CCN(CC)CC1 ZINC001209439438 1134020162 /nfs/dbraw/zinc/02/01/62/1134020162.db2.gz PTLJJQQHRRQFBG-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=CCCCCCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001209439438 1134020165 /nfs/dbraw/zinc/02/01/65/1134020165.db2.gz PTLJJQQHRRQFBG-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=CCCCCCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC001209439438 1134020169 /nfs/dbraw/zinc/02/01/69/1134020169.db2.gz PTLJJQQHRRQFBG-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP CCCCCCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379773 1135233546 /nfs/dbraw/zinc/23/35/46/1135233546.db2.gz KNDHRPVSUKBIGP-UHFFFAOYSA-N 2 1 266.473 3.813 20 30 CHEDMP C=CCCCCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379593 1135233862 /nfs/dbraw/zinc/23/38/62/1135233862.db2.gz DYGKFNAIDXKUPI-UHFFFAOYSA-N 2 1 264.457 3.589 20 30 CHEDMP C[N@@H+](CCC(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000119656047 262169316 /nfs/dbraw/zinc/16/93/16/262169316.db2.gz CTYLEPUTKJZWQO-UHFFFAOYSA-N 2 1 299.462 3.523 20 30 CHEDMP CN(CCC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119656047 262169317 /nfs/dbraw/zinc/16/93/17/262169317.db2.gz CTYLEPUTKJZWQO-UHFFFAOYSA-N 2 1 299.462 3.523 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000348406482 328579396 /nfs/dbraw/zinc/57/93/96/328579396.db2.gz SSIKEOHKBJYKEK-CQSZACIVSA-N 2 1 294.402 3.525 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C)(CC)CC2)CC1 ZINC000532231027 328709221 /nfs/dbraw/zinc/70/92/21/328709221.db2.gz FQZNNQBXUWFUPT-UHFFFAOYSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770448 330063226 /nfs/dbraw/zinc/06/32/26/330063226.db2.gz IRVRBLKESTVQKU-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770448 330063227 /nfs/dbraw/zinc/06/32/27/330063227.db2.gz IRVRBLKESTVQKU-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770448 330063228 /nfs/dbraw/zinc/06/32/28/330063228.db2.gz IRVRBLKESTVQKU-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770448 330063229 /nfs/dbraw/zinc/06/32/29/330063229.db2.gz IRVRBLKESTVQKU-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726286 331295966 /nfs/dbraw/zinc/29/59/66/331295966.db2.gz DSWKYXIBOQIJCJ-FUHWJXTLSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726286 331295967 /nfs/dbraw/zinc/29/59/67/331295967.db2.gz DSWKYXIBOQIJCJ-FUHWJXTLSA-N 2 1 299.462 3.569 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2CC)CC1 ZINC000538760487 333626379 /nfs/dbraw/zinc/62/63/79/333626379.db2.gz PGAQMMCKPMDYCX-SOLBZPMBSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548159019 334143796 /nfs/dbraw/zinc/14/37/96/334143796.db2.gz PBEFKEXSDJJJDP-HKUYNNGSSA-N 2 1 286.463 3.843 20 30 CHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245925311 334224241 /nfs/dbraw/zinc/22/42/41/334224241.db2.gz RKUVWSGFKMCAHW-AEFFLSMTSA-N 2 1 299.462 3.577 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000550644137 334226070 /nfs/dbraw/zinc/22/60/70/334226070.db2.gz NKOFDBTVUJWJRI-KRWDZBQOSA-N 2 1 276.468 3.729 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550796068 334228852 /nfs/dbraw/zinc/22/88/52/334228852.db2.gz SRAQZAHPQDKUHH-OKZBNKHCSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550796068 334228853 /nfs/dbraw/zinc/22/88/53/334228853.db2.gz SRAQZAHPQDKUHH-OKZBNKHCSA-N 2 1 272.436 3.766 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000152952509 334530104 /nfs/dbraw/zinc/53/01/04/334530104.db2.gz RQSMOGGZQPTHNN-LJQANCHMSA-N 2 1 284.447 3.612 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@@H](C)CCC)CC1 ZINC000153009175 334539302 /nfs/dbraw/zinc/53/93/02/334539302.db2.gz GPMCKBFYZTWABR-DOTOQJQBSA-N 2 1 266.473 3.831 20 30 CHEDMP C=CCC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000566922450 334669528 /nfs/dbraw/zinc/66/95/28/334669528.db2.gz HUTMCDWDJTVFKZ-SFHVURJKSA-N 2 1 283.419 3.650 20 30 CHEDMP CCC[NH+](CCC)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000577029413 335284622 /nfs/dbraw/zinc/28/46/22/335284622.db2.gz QOOJJKMGQAPBLS-IBGZPJMESA-N 2 1 299.462 3.647 20 30 CHEDMP C=CCCCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209446345 1118064055 /nfs/dbraw/zinc/06/40/55/1118064055.db2.gz XLIGSPHDJVORDN-GOSISDBHSA-N 2 1 278.484 3.931 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209446345 1118064060 /nfs/dbraw/zinc/06/40/60/1118064060.db2.gz XLIGSPHDJVORDN-GOSISDBHSA-N 2 1 278.484 3.931 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209446345 1118064066 /nfs/dbraw/zinc/06/40/66/1118064066.db2.gz XLIGSPHDJVORDN-GOSISDBHSA-N 2 1 278.484 3.931 20 30 CHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273152 1121278094 /nfs/dbraw/zinc/27/80/94/1121278094.db2.gz CMSMTCSRYKVIOB-CALCHBBNSA-N 2 1 293.499 3.664 20 30 CHEDMP C=CC[C@@H]1[NH+](CC[C@H]2CCC[N@@H+]2C)CCCC1(C)C ZINC000444794098 1124064947 /nfs/dbraw/zinc/06/49/47/1124064947.db2.gz UPWHZIXQQZQPMY-CVEARBPZSA-N 2 1 264.457 3.537 20 30 CHEDMP C=CC[C@@H]1[N@H+](CC[C@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794098 1124064950 /nfs/dbraw/zinc/06/49/50/1124064950.db2.gz UPWHZIXQQZQPMY-CVEARBPZSA-N 2 1 264.457 3.537 20 30 CHEDMP C=CC[C@@H]1[N@@H+](CC[C@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794098 1124064954 /nfs/dbraw/zinc/06/49/54/1124064954.db2.gz UPWHZIXQQZQPMY-CVEARBPZSA-N 2 1 264.457 3.537 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016792 1131841732 /nfs/dbraw/zinc/84/17/32/1131841732.db2.gz XWXBTPMKBDLDMJ-GVDBMIGSSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016792 1131841740 /nfs/dbraw/zinc/84/17/40/1131841740.db2.gz XWXBTPMKBDLDMJ-GVDBMIGSSA-N 2 1 266.473 3.809 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242608 1127196516 /nfs/dbraw/zinc/19/65/16/1127196516.db2.gz SGGFTNKDTUHYIZ-WMZOPIPTSA-N 2 1 284.447 3.738 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242608 1127196520 /nfs/dbraw/zinc/19/65/20/1127196520.db2.gz SGGFTNKDTUHYIZ-WMZOPIPTSA-N 2 1 284.447 3.738 20 30 CHEDMP CCC[N@@H+](CCC[NH+](CC)CC)Cc1ccc(C#N)cc1 ZINC000351614584 1127198493 /nfs/dbraw/zinc/19/84/93/1127198493.db2.gz HQQRUOBVJZWMLZ-UHFFFAOYSA-N 2 1 287.451 3.502 20 30 CHEDMP C#CCCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286105430 1127258594 /nfs/dbraw/zinc/25/85/94/1127258594.db2.gz MUXDNUDGRRSPNY-UHFFFAOYSA-N 2 1 298.474 3.823 20 30 CHEDMP C=C(CC)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000358736705 1127432937 /nfs/dbraw/zinc/43/29/37/1127432937.db2.gz LXFDJNJVBYOFBR-UHFFFAOYSA-N 2 1 287.451 3.586 20 30 CHEDMP CC[N@@H+](CCC1CC[NH+](CCCCC#N)CC1)CC(C)C ZINC000358738839 1127432825 /nfs/dbraw/zinc/43/28/25/1127432825.db2.gz SHMVTEXFSNQUCQ-UHFFFAOYSA-N 2 1 293.499 3.760 20 30 CHEDMP C[C@@H](CCC#N)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000602463571 1127583299 /nfs/dbraw/zinc/58/32/99/1127583299.db2.gz HRHUMQWKUAOEEE-KRWDZBQOSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@@H](CCC#N)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000602463571 1127583301 /nfs/dbraw/zinc/58/33/01/1127583301.db2.gz HRHUMQWKUAOEEE-KRWDZBQOSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602563916 1127593803 /nfs/dbraw/zinc/59/38/03/1127593803.db2.gz IBBOYRQNEJHINX-LMMKCTJWSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602563916 1127593807 /nfs/dbraw/zinc/59/38/07/1127593807.db2.gz IBBOYRQNEJHINX-LMMKCTJWSA-N 2 1 299.462 3.569 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602573034 1127594214 /nfs/dbraw/zinc/59/42/14/1127594214.db2.gz WZSBUVQRHIQWSM-HUUCEWRRSA-N 2 1 296.418 3.771 20 30 CHEDMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980671 1127648846 /nfs/dbraw/zinc/64/88/46/1127648846.db2.gz NQTNIZGWBQZRHY-MSOLQXFVSA-N 2 1 299.462 3.884 20 30 CHEDMP C[C@H](CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000411350612 1127856384 /nfs/dbraw/zinc/85/63/84/1127856384.db2.gz SGQUCFVWBHJBBS-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP C=C1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925835117 1128143080 /nfs/dbraw/zinc/14/30/80/1128143080.db2.gz MMOWGMGTIMYUKU-RBUKOAKNSA-N 2 1 284.447 3.816 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930001333 1128297112 /nfs/dbraw/zinc/29/71/12/1128297112.db2.gz UVSOAEOMNCKMSD-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930001333 1128297115 /nfs/dbraw/zinc/29/71/15/1128297115.db2.gz UVSOAEOMNCKMSD-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP C=CCC[C@@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258012 1128561781 /nfs/dbraw/zinc/56/17/81/1128561781.db2.gz DPDSAOPRBYXCLK-IAGOWNOFSA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258012 1128561785 /nfs/dbraw/zinc/56/17/85/1128561785.db2.gz DPDSAOPRBYXCLK-IAGOWNOFSA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258012 1128561789 /nfs/dbraw/zinc/56/17/89/1128561789.db2.gz DPDSAOPRBYXCLK-IAGOWNOFSA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258011 1128561703 /nfs/dbraw/zinc/56/17/03/1128561703.db2.gz DPDSAOPRBYXCLK-DLBZAZTESA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258011 1128561704 /nfs/dbraw/zinc/56/17/04/1128561704.db2.gz DPDSAOPRBYXCLK-DLBZAZTESA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258011 1128561708 /nfs/dbraw/zinc/56/17/08/1128561708.db2.gz DPDSAOPRBYXCLK-DLBZAZTESA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCCCCCCC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206768098 1117828218 /nfs/dbraw/zinc/82/82/18/1117828218.db2.gz HBELMZCQYPIRHN-HOTGVXAUSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623551185 1117871488 /nfs/dbraw/zinc/87/14/88/1117871488.db2.gz OLWNDVFBLQCAIV-QZTJIDSGSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCCCCC[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001209432850 1118054698 /nfs/dbraw/zinc/05/46/98/1118054698.db2.gz KXWOLSZUTXJBPM-INIZCTEOSA-N 2 1 274.408 3.590 20 30 CHEDMP C=CCCCCC[N@@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001209432851 1118055122 /nfs/dbraw/zinc/05/51/22/1118055122.db2.gz KXWOLSZUTXJBPM-MRXNPFEDSA-N 2 1 274.408 3.590 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000542666305 1118213665 /nfs/dbraw/zinc/21/36/65/1118213665.db2.gz XHAKNGPFQCUWIF-MRXNPFEDSA-N 2 1 274.452 3.971 20 30 CHEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554819 1119031758 /nfs/dbraw/zinc/03/17/58/1119031758.db2.gz UWQBKLUJVRRLJU-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000052208868 1119323486 /nfs/dbraw/zinc/32/34/86/1119323486.db2.gz KXLCYKUUIIJKFM-UHFFFAOYSA-N 2 1 299.462 3.502 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248735313 1119535574 /nfs/dbraw/zinc/53/55/74/1119535574.db2.gz NMZDLACYLKVDEN-WMZOPIPTSA-N 2 1 276.468 3.682 20 30 CHEDMP C=CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248735313 1119535578 /nfs/dbraw/zinc/53/55/78/1119535578.db2.gz NMZDLACYLKVDEN-WMZOPIPTSA-N 2 1 276.468 3.682 20 30 CHEDMP C=CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248735313 1119535581 /nfs/dbraw/zinc/53/55/81/1119535581.db2.gz NMZDLACYLKVDEN-WMZOPIPTSA-N 2 1 276.468 3.682 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001648920612 1119595258 /nfs/dbraw/zinc/59/52/58/1119595258.db2.gz DMEGHMQMHGYLDF-GVDBMIGSSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001648920612 1119595261 /nfs/dbraw/zinc/59/52/61/1119595261.db2.gz DMEGHMQMHGYLDF-GVDBMIGSSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(C)C)CC2)CC1 ZINC000236586770 1119787293 /nfs/dbraw/zinc/78/72/93/1119787293.db2.gz LQZFTTGWXQFLIG-UHFFFAOYSA-N 2 1 278.484 3.831 20 30 CHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC#N ZINC000282518678 1119980440 /nfs/dbraw/zinc/98/04/40/1119980440.db2.gz PHQQGJCSJVQBSL-SFHVURJKSA-N 2 1 299.462 3.571 20 30 CHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC#N ZINC000282518678 1119980443 /nfs/dbraw/zinc/98/04/43/1119980443.db2.gz PHQQGJCSJVQBSL-SFHVURJKSA-N 2 1 299.462 3.571 20 30 CHEDMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000181513883 1128884650 /nfs/dbraw/zinc/88/46/50/1128884650.db2.gz ATYAPLZDLTXCLL-BBWFWOEESA-N 2 1 299.462 3.577 20 30 CHEDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000181513883 1128884656 /nfs/dbraw/zinc/88/46/56/1128884656.db2.gz ATYAPLZDLTXCLL-BBWFWOEESA-N 2 1 299.462 3.577 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651668705 1120704578 /nfs/dbraw/zinc/70/45/78/1120704578.db2.gz VISWZBKLFYGBHV-XLIONFOSSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466484 1120981629 /nfs/dbraw/zinc/98/16/29/1120981629.db2.gz UMFUWHSOVMESRP-SJLPKXTDSA-N 2 1 278.484 3.833 20 30 CHEDMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001167824361 1120996951 /nfs/dbraw/zinc/99/69/51/1120996951.db2.gz GTPBSIIVPJLBIU-INIZCTEOSA-N 2 1 279.472 3.655 20 30 CHEDMP CCCC[N@@H+](CCC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167828052 1121006416 /nfs/dbraw/zinc/00/64/16/1121006416.db2.gz VPKUEHNAODAKPX-MRXNPFEDSA-N 2 1 267.461 3.513 20 30 CHEDMP C=CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C(C)(C)C ZINC001167841007 1121052761 /nfs/dbraw/zinc/05/27/61/1121052761.db2.gz JHWVCNTURVROTH-OAHLLOKOSA-N 2 1 254.462 3.783 20 30 CHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)CCC#N)CC1)CC1CC1 ZINC000411421674 1121584657 /nfs/dbraw/zinc/58/46/57/1121584657.db2.gz BLUGZYKQQNKCST-MRXNPFEDSA-N 2 1 291.483 3.513 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000152980798 1129014670 /nfs/dbraw/zinc/01/46/70/1129014670.db2.gz JXRXORUMKDONNU-BEFAXECRSA-N 2 1 284.447 3.550 20 30 CHEDMP C=CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280245740 1121879986 /nfs/dbraw/zinc/87/99/86/1121879986.db2.gz YNUZFRHIHUWPGV-LDLYASANSA-N 2 1 284.447 3.738 20 30 CHEDMP CCC#C[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001190792373 1122556199 /nfs/dbraw/zinc/55/61/99/1122556199.db2.gz VGYPORNAOXUWHY-SFHVURJKSA-N 2 1 298.474 3.632 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474706761 1123573995 /nfs/dbraw/zinc/57/39/95/1123573995.db2.gz HUVIFKHITUOSDJ-LJQANCHMSA-N 2 1 286.463 3.666 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000474712604 1123574980 /nfs/dbraw/zinc/57/49/80/1123574980.db2.gz NMWGDPDGKKRDKL-AWEZNQCLSA-N 2 1 278.484 3.687 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(C)c2)CC1 ZINC000866261514 1124042922 /nfs/dbraw/zinc/04/29/22/1124042922.db2.gz VOYDOLNHPMYSNG-KRWDZBQOSA-N 2 1 286.463 3.556 20 30 CHEDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511215 1124482890 /nfs/dbraw/zinc/48/28/90/1124482890.db2.gz SKPFORGXKYGIAD-QFBILLFUSA-N 2 1 299.462 3.863 20 30 CHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449130690 1124652931 /nfs/dbraw/zinc/65/29/31/1124652931.db2.gz HHNVEMPWWRTZPF-UHFFFAOYSA-N 2 1 299.462 3.700 20 30 CHEDMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449133121 1124653808 /nfs/dbraw/zinc/65/38/08/1124653808.db2.gz XBTFJDQGJAVALM-ADKAHSJRSA-N 2 1 291.483 3.703 20 30 CHEDMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449133121 1124653812 /nfs/dbraw/zinc/65/38/12/1124653812.db2.gz XBTFJDQGJAVALM-ADKAHSJRSA-N 2 1 291.483 3.703 20 30 CHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(C2=CCC[NH2+]CC2)cc1 ZINC001238949676 1131275589 /nfs/dbraw/zinc/27/55/89/1131275589.db2.gz ICEKEGVTEMTCOP-LJQANCHMSA-N 2 1 282.431 3.776 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001246025921 1131276219 /nfs/dbraw/zinc/27/62/19/1131276219.db2.gz ZZOGWYDKHPYZBL-ZWKOTPCHSA-N 2 1 298.515 3.562 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001246025921 1131276227 /nfs/dbraw/zinc/27/62/27/1131276227.db2.gz ZZOGWYDKHPYZBL-ZWKOTPCHSA-N 2 1 298.515 3.562 20 30 CHEDMP C=CC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574330 1125162649 /nfs/dbraw/zinc/16/26/49/1125162649.db2.gz QBNNWXZQFNULNS-ZBFHGGJFSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574330 1125162651 /nfs/dbraw/zinc/16/26/51/1125162651.db2.gz QBNNWXZQFNULNS-ZBFHGGJFSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574330 1125162653 /nfs/dbraw/zinc/16/26/53/1125162653.db2.gz QBNNWXZQFNULNS-ZBFHGGJFSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000878574330 1125162656 /nfs/dbraw/zinc/16/26/56/1125162656.db2.gz QBNNWXZQFNULNS-ZBFHGGJFSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000878574330 1125162659 /nfs/dbraw/zinc/16/26/59/1125162659.db2.gz QBNNWXZQFNULNS-ZBFHGGJFSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574327 1125163169 /nfs/dbraw/zinc/16/31/69/1125163169.db2.gz QBNNWXZQFNULNS-GDBMZVCRSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574327 1125163173 /nfs/dbraw/zinc/16/31/73/1125163173.db2.gz QBNNWXZQFNULNS-GDBMZVCRSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574327 1125163179 /nfs/dbraw/zinc/16/31/79/1125163179.db2.gz QBNNWXZQFNULNS-GDBMZVCRSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000878574327 1125163181 /nfs/dbraw/zinc/16/31/81/1125163181.db2.gz QBNNWXZQFNULNS-GDBMZVCRSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000878574327 1125163191 /nfs/dbraw/zinc/16/31/91/1125163191.db2.gz QBNNWXZQFNULNS-GDBMZVCRSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000883171660 1125374778 /nfs/dbraw/zinc/37/47/78/1125374778.db2.gz FBTWTEKKMFGSGA-RTBURBONSA-N 2 1 298.474 3.638 20 30 CHEDMP C=CCC[N@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169258607 1129713604 /nfs/dbraw/zinc/71/36/04/1129713604.db2.gz OLIRWLUHLRPMJV-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169258607 1129713607 /nfs/dbraw/zinc/71/36/07/1129713607.db2.gz OLIRWLUHLRPMJV-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000793531131 1130571651 /nfs/dbraw/zinc/57/16/51/1130571651.db2.gz CZXAMLKALYNPBA-ARFHVFGLSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000793531131 1130571655 /nfs/dbraw/zinc/57/16/55/1130571655.db2.gz CZXAMLKALYNPBA-ARFHVFGLSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000793531136 1130572084 /nfs/dbraw/zinc/57/20/84/1130572084.db2.gz CZXAMLKALYNPBA-XHSDSOJGSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000793531136 1130572086 /nfs/dbraw/zinc/57/20/86/1130572086.db2.gz CZXAMLKALYNPBA-XHSDSOJGSA-N 2 1 252.446 3.584 20 30 CHEDMP CCCCCCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025105 1130702840 /nfs/dbraw/zinc/70/28/40/1130702840.db2.gz VUSUHPUFOWLSJK-UHFFFAOYSA-N 2 1 266.473 3.813 20 30 CHEDMP CCCCCCC[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC001235660575 1130762449 /nfs/dbraw/zinc/76/24/49/1130762449.db2.gz GZIRIHPSFDBEJS-MRXNPFEDSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236414183 1130932475 /nfs/dbraw/zinc/93/24/75/1130932475.db2.gz KLKJNDUQTPRTIH-HOTGVXAUSA-N 2 1 252.446 3.715 20 30 CHEDMP CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236351988 1130917565 /nfs/dbraw/zinc/91/75/65/1130917565.db2.gz GOLYPOSGZCHEOZ-KGLIPLIRSA-N 2 1 294.405 3.949 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236351988 1130917568 /nfs/dbraw/zinc/91/75/68/1130917568.db2.gz GOLYPOSGZCHEOZ-KGLIPLIRSA-N 2 1 294.405 3.949 20 30 CHEDMP C=CCCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236493090 1130956066 /nfs/dbraw/zinc/95/60/66/1130956066.db2.gz RASBTSPMYSEPBG-UHFFFAOYSA-N 2 1 290.426 3.654 20 30 CHEDMP C=CCCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236493090 1130956074 /nfs/dbraw/zinc/95/60/74/1130956074.db2.gz RASBTSPMYSEPBG-UHFFFAOYSA-N 2 1 290.426 3.654 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236820010 1131014162 /nfs/dbraw/zinc/01/41/62/1131014162.db2.gz PJSSABSYPOYFOD-PNSADGCTSA-N 2 1 264.457 3.572 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001116400982 1131143518 /nfs/dbraw/zinc/14/35/18/1131143518.db2.gz AUIHPCLNMAHQSJ-INIZCTEOSA-N 2 1 277.456 3.645 20 30 CHEDMP CCCCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246505247 1131534983 /nfs/dbraw/zinc/53/49/83/1131534983.db2.gz UVGUFMZFYWVGEW-YLFCFFPRSA-N 2 1 266.473 3.713 20 30 CHEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246568243 1131636791 /nfs/dbraw/zinc/63/67/91/1131636791.db2.gz KSSLBYRVKBYQGP-HRCADAONSA-N 2 1 272.452 3.887 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246568243 1131636795 /nfs/dbraw/zinc/63/67/95/1131636795.db2.gz KSSLBYRVKBYQGP-HRCADAONSA-N 2 1 272.452 3.887 20 30 CHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC001171339453 1131872764 /nfs/dbraw/zinc/87/27/64/1131872764.db2.gz MDPAJMUPZGRABO-RTBURBONSA-N 2 1 299.462 3.564 20 30 CHEDMP C=CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140804957 1131930435 /nfs/dbraw/zinc/93/04/35/1131930435.db2.gz LRZNTLYSWMWIGJ-UHFFFAOYSA-N 2 1 277.371 3.751 20 30 CHEDMP C=CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140804957 1131930438 /nfs/dbraw/zinc/93/04/38/1131930438.db2.gz LRZNTLYSWMWIGJ-UHFFFAOYSA-N 2 1 277.371 3.751 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172479125 1132228277 /nfs/dbraw/zinc/22/82/77/1132228277.db2.gz JSBHGRVHXOCACV-ZHALLVOQSA-N 2 1 299.462 3.711 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172479125 1132228280 /nfs/dbraw/zinc/22/82/80/1132228280.db2.gz JSBHGRVHXOCACV-ZHALLVOQSA-N 2 1 299.462 3.711 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172505003 1132254294 /nfs/dbraw/zinc/25/42/94/1132254294.db2.gz KKCSIEGJQLPACD-INIZCTEOSA-N 2 1 291.483 3.798 20 30 CHEDMP C#Cc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001231659506 1132337898 /nfs/dbraw/zinc/33/78/98/1132337898.db2.gz NTOQQZMHVZAGQL-HXUWFJFHSA-N 2 1 296.458 3.508 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001208176653 1133896223 /nfs/dbraw/zinc/89/62/23/1133896223.db2.gz JFUYYDJWKNWYRA-QGZVFWFLSA-N 2 1 276.468 3.705 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001208176653 1133896226 /nfs/dbraw/zinc/89/62/26/1133896226.db2.gz JFUYYDJWKNWYRA-QGZVFWFLSA-N 2 1 276.468 3.705 20 30 CHEDMP C=CCCCCC[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001209433060 1134018952 /nfs/dbraw/zinc/01/89/52/1134018952.db2.gz PNIGHHRLJJRZGK-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948607 263367911 /nfs/dbraw/zinc/36/79/11/263367911.db2.gz VDDVTIFANFZAED-MSOLQXFVSA-N 2 1 272.436 3.768 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583024071 329299200 /nfs/dbraw/zinc/29/92/00/329299200.db2.gz GDNALNYIRSUAFB-GOSISDBHSA-N 2 1 284.447 3.739 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583024071 329299201 /nfs/dbraw/zinc/29/92/01/329299201.db2.gz GDNALNYIRSUAFB-GOSISDBHSA-N 2 1 284.447 3.739 20 30 CHEDMP C=C(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423034596 330166336 /nfs/dbraw/zinc/16/63/36/330166336.db2.gz XPHHVPXLXZHIQG-PMACEKPBSA-N 2 1 292.426 3.783 20 30 CHEDMP C=C(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000536893230 330362440 /nfs/dbraw/zinc/36/24/40/330362440.db2.gz LIOHQWKUKWIUHA-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000536893230 330362441 /nfs/dbraw/zinc/36/24/41/330362441.db2.gz LIOHQWKUKWIUHA-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000536893230 330362442 /nfs/dbraw/zinc/36/24/42/330362442.db2.gz LIOHQWKUKWIUHA-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)C2CCCC2)CC1 ZINC000449123287 330900241 /nfs/dbraw/zinc/90/02/41/330900241.db2.gz NRMVPWKJRPHSBB-QGZVFWFLSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177314070 333057506 /nfs/dbraw/zinc/05/75/06/333057506.db2.gz ZVALLNUNDMSCBV-HNNXBMFYSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000195137095 333246450 /nfs/dbraw/zinc/24/64/50/333246450.db2.gz CGFKDNPZKZKIMV-UYAOXDASSA-N 2 1 298.474 3.843 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000552037744 334279663 /nfs/dbraw/zinc/27/96/63/334279663.db2.gz IDNLSTTXBSDGKO-SJORKVTESA-N 2 1 290.451 3.999 20 30 CHEDMP C=CC[N@@H+](C1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168394513 1127236826 /nfs/dbraw/zinc/23/68/26/1127236826.db2.gz AJPKNHZCSDSVSZ-UHFFFAOYSA-N 2 1 276.468 3.682 20 30 CHEDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544599 1127591047 /nfs/dbraw/zinc/59/10/47/1127591047.db2.gz HSVVQBMNQMNROU-GTPINHCMSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544599 1127591050 /nfs/dbraw/zinc/59/10/50/1127591050.db2.gz HSVVQBMNQMNROU-GTPINHCMSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)CCC#N)CC1)CC1CC1 ZINC000411421672 1127859140 /nfs/dbraw/zinc/85/91/40/1127859140.db2.gz BLUGZYKQQNKCST-INIZCTEOSA-N 2 1 291.483 3.513 20 30 CHEDMP C=CCCC[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000540296781 1127972541 /nfs/dbraw/zinc/97/25/41/1127972541.db2.gz CKHWJSYTIZAHJT-HZPDHXFCSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000540296781 1127972542 /nfs/dbraw/zinc/97/25/42/1127972542.db2.gz CKHWJSYTIZAHJT-HZPDHXFCSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000540296781 1127972543 /nfs/dbraw/zinc/97/25/43/1127972543.db2.gz CKHWJSYTIZAHJT-HZPDHXFCSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000540296784 1127972649 /nfs/dbraw/zinc/97/26/49/1127972649.db2.gz CKHWJSYTIZAHJT-JKSUJKDBSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000540296784 1127972652 /nfs/dbraw/zinc/97/26/52/1127972652.db2.gz CKHWJSYTIZAHJT-JKSUJKDBSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000540296784 1127972656 /nfs/dbraw/zinc/97/26/56/1127972656.db2.gz CKHWJSYTIZAHJT-JKSUJKDBSA-N 2 1 252.446 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCCC)CC1 ZINC000468367503 1128003822 /nfs/dbraw/zinc/00/38/22/1128003822.db2.gz NBQLFRIUYPMMHL-SJLPKXTDSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CCCCCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235174246 1128311795 /nfs/dbraw/zinc/31/17/95/1128311795.db2.gz SNDYCWYZKLMWOR-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccc(C)cc3)C2)CC1 ZINC000180628307 1117937307 /nfs/dbraw/zinc/93/73/07/1117937307.db2.gz VSWBZSJHWLOSOE-UHFFFAOYSA-N 2 1 298.474 3.871 20 30 CHEDMP C=CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000414178004 1119928399 /nfs/dbraw/zinc/92/83/99/1119928399.db2.gz JPHPGVMAMJSREY-CVEARBPZSA-N 2 1 276.424 3.608 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000181511322 1128884094 /nfs/dbraw/zinc/88/40/94/1128884094.db2.gz DWPYRIXZAYGNAV-IRXDYDNUSA-N 2 1 299.462 3.863 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000765837826 1120116939 /nfs/dbraw/zinc/11/69/39/1120116939.db2.gz VHJUMCKWOMUXCF-ZIFCJYIRSA-N 2 1 290.495 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CC)CC1 ZINC000181746618 1120143921 /nfs/dbraw/zinc/14/39/21/1120143921.db2.gz QWWSITGXPCDCKF-NVXWUHKLSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309711681 1120145666 /nfs/dbraw/zinc/14/56/66/1120145666.db2.gz JOUBCABGEWKIKP-PKOBYXMFSA-N 2 1 286.463 3.843 20 30 CHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000182045692 1128926030 /nfs/dbraw/zinc/92/60/30/1128926030.db2.gz RKUVWSGFKMCAHW-FUHWJXTLSA-N 2 1 299.462 3.577 20 30 CHEDMP C#C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001195567984 1122878502 /nfs/dbraw/zinc/87/85/02/1122878502.db2.gz NUVIBFSNFBWHCI-GOSISDBHSA-N 2 1 296.458 3.518 20 30 CHEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638750456 1122914306 /nfs/dbraw/zinc/91/43/06/1122914306.db2.gz ULOPABPTQPXRSV-QILLFSRXSA-N 2 1 270.420 3.519 20 30 CHEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638750456 1122914307 /nfs/dbraw/zinc/91/43/07/1122914307.db2.gz ULOPABPTQPXRSV-QILLFSRXSA-N 2 1 270.420 3.519 20 30 CHEDMP C=CCCC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001196960458 1122940836 /nfs/dbraw/zinc/94/08/36/1122940836.db2.gz CXQTYDZWVSGIRX-BGYRXZFFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001196960458 1122940837 /nfs/dbraw/zinc/94/08/37/1122940837.db2.gz CXQTYDZWVSGIRX-BGYRXZFFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001196960458 1122940838 /nfs/dbraw/zinc/94/08/38/1122940838.db2.gz CXQTYDZWVSGIRX-BGYRXZFFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001196960458 1122940839 /nfs/dbraw/zinc/94/08/39/1122940839.db2.gz CXQTYDZWVSGIRX-BGYRXZFFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000507489147 1122960321 /nfs/dbraw/zinc/96/03/21/1122960321.db2.gz WIYFGGCMBBRKCD-QZTJIDSGSA-N 2 1 276.468 3.585 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001201567263 1123125842 /nfs/dbraw/zinc/12/58/42/1123125842.db2.gz WGLOOZZIQASILD-KURKYZTESA-N 2 1 278.484 3.689 20 30 CHEDMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC000449086693 1124644644 /nfs/dbraw/zinc/64/46/44/1124644644.db2.gz SIGKKDUGEORHHS-AQEOSJORSA-N 2 1 291.483 3.559 20 30 CHEDMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449207239 1124669851 /nfs/dbraw/zinc/66/98/51/1124669851.db2.gz PSQBRHIHZQNTDS-LXPRWKDFSA-N 2 1 291.483 3.559 20 30 CHEDMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449207239 1124669852 /nfs/dbraw/zinc/66/98/52/1124669852.db2.gz PSQBRHIHZQNTDS-LXPRWKDFSA-N 2 1 291.483 3.559 20 30 CHEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877087754 1125009002 /nfs/dbraw/zinc/00/90/02/1125009002.db2.gz RFRINTZBSKYJLG-ICSRJNTNSA-N 2 1 296.458 3.748 20 30 CHEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877087754 1125009007 /nfs/dbraw/zinc/00/90/07/1125009007.db2.gz RFRINTZBSKYJLG-ICSRJNTNSA-N 2 1 296.458 3.748 20 30 CHEDMP CC[NH+](Cc1cc(C#N)cc(C[N@H+](CC)C2CC2)c1)C1CC1 ZINC000877954679 1125105748 /nfs/dbraw/zinc/10/57/48/1125105748.db2.gz NTMRCKLGRCRTEP-UHFFFAOYSA-N 2 1 297.446 3.527 20 30 CHEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729365 1125282495 /nfs/dbraw/zinc/28/24/95/1125282495.db2.gz WYSUZINYYOXUNV-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475729365 1125282500 /nfs/dbraw/zinc/28/25/00/1125282500.db2.gz WYSUZINYYOXUNV-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117441 1129284214 /nfs/dbraw/zinc/28/42/14/1129284214.db2.gz DFORTPFKXQCIML-IEBWSBKVSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117441 1129284215 /nfs/dbraw/zinc/28/42/15/1129284215.db2.gz DFORTPFKXQCIML-IEBWSBKVSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639306473 1129301587 /nfs/dbraw/zinc/30/15/87/1129301587.db2.gz DOGOTHKTTBEDTL-FUHWJXTLSA-N 2 1 270.420 3.520 20 30 CHEDMP C=CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639306473 1129301591 /nfs/dbraw/zinc/30/15/91/1129301591.db2.gz DOGOTHKTTBEDTL-FUHWJXTLSA-N 2 1 270.420 3.520 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250795128 1129497859 /nfs/dbraw/zinc/49/78/59/1129497859.db2.gz AOOIEBCGQGVXEZ-BBWFWOEESA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000103028038 1129684062 /nfs/dbraw/zinc/68/40/62/1129684062.db2.gz NQTULGVNJSFIGW-HOTGVXAUSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235102458 1130710352 /nfs/dbraw/zinc/71/03/52/1130710352.db2.gz NJVOERBJMNJYJY-CMDGGOBGSA-N 2 1 264.457 3.731 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235102458 1130710357 /nfs/dbraw/zinc/71/03/57/1130710357.db2.gz NJVOERBJMNJYJY-CMDGGOBGSA-N 2 1 264.457 3.731 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235171482 1130717838 /nfs/dbraw/zinc/71/78/38/1130717838.db2.gz JWULWMIYGBYTAB-MOPGFXCFSA-N 2 1 288.479 3.897 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001235171482 1130717842 /nfs/dbraw/zinc/71/78/42/1130717842.db2.gz JWULWMIYGBYTAB-MOPGFXCFSA-N 2 1 288.479 3.897 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402844 1130739537 /nfs/dbraw/zinc/73/95/37/1130739537.db2.gz JVXCBBUNSSTCLI-XDIYQJDNSA-N 2 1 296.474 3.927 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402844 1130739543 /nfs/dbraw/zinc/73/95/43/1130739543.db2.gz JVXCBBUNSSTCLI-XDIYQJDNSA-N 2 1 296.474 3.927 20 30 CHEDMP N#CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235662855 1130763314 /nfs/dbraw/zinc/76/33/14/1130763314.db2.gz AMRZGLGMVVSRLJ-KRWDZBQOSA-N 2 1 291.483 3.705 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC001236416544 1130933765 /nfs/dbraw/zinc/93/37/65/1130933765.db2.gz FZRUQIZNDUMMGI-MRXNPFEDSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC001236416544 1130933768 /nfs/dbraw/zinc/93/37/68/1130933768.db2.gz FZRUQIZNDUMMGI-MRXNPFEDSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCCC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552498 1130974813 /nfs/dbraw/zinc/97/48/13/1130974813.db2.gz WIPFCMYQHXXJRU-WKILWMFISA-N 2 1 252.446 3.571 20 30 CHEDMP C=CCCCCCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236632999 1130986767 /nfs/dbraw/zinc/98/67/67/1130986767.db2.gz DYRMARDZSZGMAW-UHFFFAOYSA-N 2 1 264.457 3.729 20 30 CHEDMP C=CCCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236682574 1130992178 /nfs/dbraw/zinc/99/21/78/1130992178.db2.gz VRKCZGCEJDKFLT-IYARVYRRSA-N 2 1 272.436 3.725 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001116400984 1131142697 /nfs/dbraw/zinc/14/26/97/1131142697.db2.gz AUIHPCLNMAHQSJ-MRXNPFEDSA-N 2 1 277.456 3.645 20 30 CHEDMP C=C(C)C[N@H+](CC)Cc1ccc(-n2ccnc2C)cc1 ZINC001138549044 1131519788 /nfs/dbraw/zinc/51/97/88/1131519788.db2.gz OWQDXXUTJANOJG-UHFFFAOYSA-N 2 1 269.392 3.579 20 30 CHEDMP C=C(C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549044 1131519790 /nfs/dbraw/zinc/51/97/90/1131519790.db2.gz OWQDXXUTJANOJG-UHFFFAOYSA-N 2 1 269.392 3.579 20 30 CHEDMP C=C(C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549044 1131519794 /nfs/dbraw/zinc/51/97/94/1131519794.db2.gz OWQDXXUTJANOJG-UHFFFAOYSA-N 2 1 269.392 3.579 20 30 CHEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535474 1131573717 /nfs/dbraw/zinc/57/37/17/1131573717.db2.gz MHDLDFIYOQBLJF-IAGOWNOFSA-N 2 1 284.488 3.565 20 30 CHEDMP CCCCCCCCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541937 1131582614 /nfs/dbraw/zinc/58/26/14/1131582614.db2.gz HTYXSJLVIWLHLZ-ROUUACIJSA-N 2 1 298.515 3.691 20 30 CHEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657150 1131777763 /nfs/dbraw/zinc/77/77/63/1131777763.db2.gz GHLFZRKEHZMZAL-YESZJQIVSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657150 1131777766 /nfs/dbraw/zinc/77/77/66/1131777766.db2.gz GHLFZRKEHZMZAL-YESZJQIVSA-N 2 1 266.473 3.809 20 30 CHEDMP C#C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001171571767 1132059230 /nfs/dbraw/zinc/05/92/30/1132059230.db2.gz BDBZQZQKEPYBMH-SFHVURJKSA-N 2 1 296.458 3.518 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984284 1132120267 /nfs/dbraw/zinc/12/02/67/1132120267.db2.gz UKQKJQILEWEATE-SFHVURJKSA-N 2 1 286.463 3.985 20 30 CHEDMP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172478133 1132228326 /nfs/dbraw/zinc/22/83/26/1132228326.db2.gz BUJJXFBNZJTQGR-HKUYNNGSSA-N 2 1 299.462 3.571 20 30 CHEDMP C=CCCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCC1 ZINC001203118830 1132348502 /nfs/dbraw/zinc/34/85/02/1132348502.db2.gz MZSVZGBUINXQRQ-UHFFFAOYSA-N 2 1 287.451 3.764 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013876 1132410921 /nfs/dbraw/zinc/41/09/21/1132410921.db2.gz FANCGUXEPMQBPW-UHFFFAOYSA-N 2 1 259.397 3.965 20 30 CHEDMP N#CCC1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332178 1132463515 /nfs/dbraw/zinc/46/35/15/1132463515.db2.gz IYSAGSKAYKFZKA-PBGYJZAOSA-N 2 1 289.467 3.583 20 30 CHEDMP CC(C)C[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173590744 1132496554 /nfs/dbraw/zinc/49/65/54/1132496554.db2.gz ASFJMSCQXVAVBM-MJYONLJCSA-N 2 1 291.483 3.687 20 30 CHEDMP CCCCCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843345450 1132523075 /nfs/dbraw/zinc/52/30/75/1132523075.db2.gz MBAIUQHJDGXFHF-UHFFFAOYSA-N 2 1 252.446 3.563 20 30 CHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001162403564 1133075276 /nfs/dbraw/zinc/07/52/76/1133075276.db2.gz FHPKQSHINVSQFN-YTQUADARSA-N 2 1 299.462 3.691 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205762377 1133610562 /nfs/dbraw/zinc/61/05/62/1133610562.db2.gz LRWNYPLTJMWZFR-HNNXBMFYSA-N 2 1 288.426 3.819 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207286483 1133789072 /nfs/dbraw/zinc/78/90/72/1133789072.db2.gz UCUULWRSDFIQFA-UHFFFAOYSA-N 2 1 274.452 3.653 20 30 CHEDMP C=CCCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209207071 1133987354 /nfs/dbraw/zinc/98/73/54/1133987354.db2.gz KDLYULKGTOTRFY-IRXDYDNUSA-N 2 1 264.457 3.682 20 30 CHEDMP C=CCCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209207071 1133987357 /nfs/dbraw/zinc/98/73/57/1133987357.db2.gz KDLYULKGTOTRFY-IRXDYDNUSA-N 2 1 264.457 3.682 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258579 1135216020 /nfs/dbraw/zinc/21/60/20/1135216020.db2.gz DAJMVNIBOSOPCR-MOPGFXCFSA-N 2 1 288.479 3.755 20 30 CHEDMP CCCCCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596640 1135254360 /nfs/dbraw/zinc/25/43/60/1135254360.db2.gz ZIDOCOKSWIBABD-GOSISDBHSA-N 2 1 286.463 3.646 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000153027943 260680234 /nfs/dbraw/zinc/68/02/34/260680234.db2.gz FAZRSPOZIPUTRN-CQSZACIVSA-N 2 1 276.399 3.517 20 30 CHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157266373 261142872 /nfs/dbraw/zinc/14/28/72/261142872.db2.gz HELJVMIVFKQXJN-LPHOPBHVSA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157266373 261142873 /nfs/dbraw/zinc/14/28/73/261142873.db2.gz HELJVMIVFKQXJN-LPHOPBHVSA-N 2 1 297.446 3.570 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000449075457 261150738 /nfs/dbraw/zinc/15/07/38/261150738.db2.gz RDIAXEJIPVGRGS-HUUCEWRRSA-N 2 1 263.429 3.552 20 30 CHEDMP N#CCCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450574 263155090 /nfs/dbraw/zinc/15/50/90/263155090.db2.gz NNOGPOFNBACNFW-QYZOEREBSA-N 2 1 297.446 3.638 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000160022072 264223698 /nfs/dbraw/zinc/22/36/98/264223698.db2.gz UWRLDMNKSHZJRK-NXHRZFHOSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000160022072 264223699 /nfs/dbraw/zinc/22/36/99/264223699.db2.gz UWRLDMNKSHZJRK-NXHRZFHOSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414682813 328213768 /nfs/dbraw/zinc/21/37/68/328213768.db2.gz RZOLPNGUWHMNCU-STQMWFEESA-N 2 1 298.883 3.778 20 30 CHEDMP C=C(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963318 328372117 /nfs/dbraw/zinc/37/21/17/328372117.db2.gz WSPIDHHLERKQLR-UHFFFAOYSA-N 2 1 284.447 3.551 20 30 CHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCCC#N)CC1 ZINC000103142876 327233166 /nfs/dbraw/zinc/23/31/66/327233166.db2.gz SHTSYSMINFEARP-UHFFFAOYSA-N 2 1 299.462 3.524 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272883046 330094227 /nfs/dbraw/zinc/09/42/27/330094227.db2.gz NTHMWTZQLDCQMQ-BQFCYCMXSA-N 2 1 272.436 3.594 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272883046 330094228 /nfs/dbraw/zinc/09/42/28/330094228.db2.gz NTHMWTZQLDCQMQ-BQFCYCMXSA-N 2 1 272.436 3.594 20 30 CHEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422999403 330163815 /nfs/dbraw/zinc/16/38/15/330163815.db2.gz SMUUKLCHBJFTKD-BHIYHBOVSA-N 2 1 299.462 3.932 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccsc2)CC1 ZINC000453101692 331089226 /nfs/dbraw/zinc/08/92/26/331089226.db2.gz OORUJTIWNXDARX-INIZCTEOSA-N 2 1 278.465 3.829 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000491038355 332141428 /nfs/dbraw/zinc/14/14/28/332141428.db2.gz PKJDUEDCASQFML-OXQOHEQNSA-N 2 1 298.474 3.858 20 30 CHEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174860863 333009273 /nfs/dbraw/zinc/00/92/73/333009273.db2.gz ADJSYVAYYGKOCB-UHFFFAOYSA-N 2 1 293.499 3.760 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000513754676 333037674 /nfs/dbraw/zinc/03/76/74/333037674.db2.gz MNWFSWFBYZOMOT-QGZVFWFLSA-N 2 1 290.451 3.999 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000564296813 334007734 /nfs/dbraw/zinc/00/77/34/334007734.db2.gz DMEMQGZYJKDRFW-UHFFFAOYSA-N 2 1 264.457 3.587 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000153016413 334541110 /nfs/dbraw/zinc/54/11/10/334541110.db2.gz VQIBZWHWZQETGQ-QGZVFWFLSA-N 2 1 286.463 3.995 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246695360 1119406931 /nfs/dbraw/zinc/40/69/31/1119406931.db2.gz KRGQKUJXKGYDAP-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246695360 1119406935 /nfs/dbraw/zinc/40/69/35/1119406935.db2.gz KRGQKUJXKGYDAP-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668315 1131778467 /nfs/dbraw/zinc/77/84/67/1131778467.db2.gz XPXCSRNGMWADNI-ZACQAIPSSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668315 1131778474 /nfs/dbraw/zinc/77/84/74/1131778474.db2.gz XPXCSRNGMWADNI-ZACQAIPSSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156643 1132125629 /nfs/dbraw/zinc/12/56/29/1132125629.db2.gz RQYDYUBKMLAEGH-HZPDHXFCSA-N 2 1 272.452 3.888 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156643 1132125634 /nfs/dbraw/zinc/12/56/34/1132125634.db2.gz RQYDYUBKMLAEGH-HZPDHXFCSA-N 2 1 272.452 3.888 20 30 CHEDMP C=CCC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918829 1126758647 /nfs/dbraw/zinc/75/86/47/1126758647.db2.gz DYTNBFTXJBUUQA-IPMKNSEASA-N 2 1 284.447 3.910 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041512 1130705562 /nfs/dbraw/zinc/70/55/62/1130705562.db2.gz QZSIQFALRQICCF-KRWDZBQOSA-N 2 1 266.473 3.955 20 30 CHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185885507 1126904865 /nfs/dbraw/zinc/90/48/65/1126904865.db2.gz DEEFBHLKGGPTAU-QFBILLFUSA-N 2 1 299.462 3.699 20 30 CHEDMP C=C[C@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@H]1C=C ZINC000489437281 1127103719 /nfs/dbraw/zinc/10/37/19/1127103719.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 2 1 274.452 3.624 20 30 CHEDMP C=C[C@H]1CCCC[N@H+]1C/C=C/C[NH+]1CCCC[C@H]1C=C ZINC000489437281 1127103722 /nfs/dbraw/zinc/10/37/22/1127103722.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 2 1 274.452 3.624 20 30 CHEDMP C=C[C@H]1CCCC[N@@H+]1C/C=C/C[NH+]1CCCC[C@H]1C=C ZINC000489437281 1127103726 /nfs/dbraw/zinc/10/37/26/1127103726.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 2 1 274.452 3.624 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242605 1127196305 /nfs/dbraw/zinc/19/63/05/1127196305.db2.gz SGGFTNKDTUHYIZ-AEFFLSMTSA-N 2 1 284.447 3.738 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242605 1127196307 /nfs/dbraw/zinc/19/63/07/1127196307.db2.gz SGGFTNKDTUHYIZ-AEFFLSMTSA-N 2 1 284.447 3.738 20 30 CHEDMP C=C(CC)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000359532810 1127466211 /nfs/dbraw/zinc/46/62/11/1127466211.db2.gz WEHKZLQZACKOED-CQSZACIVSA-N 2 1 269.392 3.798 20 30 CHEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544601 1127590909 /nfs/dbraw/zinc/59/09/09/1127590909.db2.gz HSVVQBMNQMNROU-KLAILNCOSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544601 1127590914 /nfs/dbraw/zinc/59/09/14/1127590914.db2.gz HSVVQBMNQMNROU-KLAILNCOSA-N 2 1 291.483 3.559 20 30 CHEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535488 1127592061 /nfs/dbraw/zinc/59/20/61/1127592061.db2.gz OEGSYUHNTNFBHB-WMZOPIPTSA-N 2 1 291.483 3.561 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602563917 1127593880 /nfs/dbraw/zinc/59/38/80/1127593880.db2.gz IBBOYRQNEJHINX-ZHALLVOQSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602563917 1127593882 /nfs/dbraw/zinc/59/38/82/1127593882.db2.gz IBBOYRQNEJHINX-ZHALLVOQSA-N 2 1 299.462 3.569 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602573032 1127594393 /nfs/dbraw/zinc/59/43/93/1127594393.db2.gz WZSBUVQRHIQWSM-CABCVRRESA-N 2 1 296.418 3.771 20 30 CHEDMP CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccc(C#N)cc1 ZINC000593717125 1127665199 /nfs/dbraw/zinc/66/51/99/1127665199.db2.gz YAEGAOBKDBXIDF-GOSISDBHSA-N 2 1 287.451 3.577 20 30 CHEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411310938 1127852580 /nfs/dbraw/zinc/85/25/80/1127852580.db2.gz VYNOJDNODLCPPH-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411310938 1127852583 /nfs/dbraw/zinc/85/25/83/1127852583.db2.gz VYNOJDNODLCPPH-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411310938 1127852587 /nfs/dbraw/zinc/85/25/87/1127852587.db2.gz VYNOJDNODLCPPH-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCCC)CC1 ZINC000468367502 1128003642 /nfs/dbraw/zinc/00/36/42/1128003642.db2.gz NBQLFRIUYPMMHL-FUHWJXTLSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000571841108 1128638781 /nfs/dbraw/zinc/63/87/81/1128638781.db2.gz QFUVNZQWAQUVFP-UHFFFAOYSA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770106 1117856273 /nfs/dbraw/zinc/85/62/73/1117856273.db2.gz QUTPQZLUFVMDQK-IAGOWNOFSA-N 2 1 266.473 3.962 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000510728457 1118802744 /nfs/dbraw/zinc/80/27/44/1118802744.db2.gz AOLRRZZUNCLNEC-WBVHZDCISA-N 2 1 282.447 3.535 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000236661407 1118922463 /nfs/dbraw/zinc/92/24/63/1118922463.db2.gz MSWXTBJNULJCGE-UHFFFAOYSA-N 2 1 280.415 3.580 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cc2)CC1 ZINC000153029008 1119154593 /nfs/dbraw/zinc/15/45/93/1119154593.db2.gz FYRJERMGRKTSNL-GOSISDBHSA-N 2 1 290.426 3.907 20 30 CHEDMP C=CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246695360 1119406926 /nfs/dbraw/zinc/40/69/26/1119406926.db2.gz KRGQKUJXKGYDAP-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000509702515 1120061691 /nfs/dbraw/zinc/06/16/91/1120061691.db2.gz ZQWJYLOWOXTUHD-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000509702515 1120061697 /nfs/dbraw/zinc/06/16/97/1120061697.db2.gz ZQWJYLOWOXTUHD-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000509702515 1120061700 /nfs/dbraw/zinc/06/17/00/1120061700.db2.gz ZQWJYLOWOXTUHD-DLBZAZTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000509702516 1120061965 /nfs/dbraw/zinc/06/19/65/1120061965.db2.gz ZQWJYLOWOXTUHD-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000509702516 1120061970 /nfs/dbraw/zinc/06/19/70/1120061970.db2.gz ZQWJYLOWOXTUHD-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000509702516 1120061973 /nfs/dbraw/zinc/06/19/73/1120061973.db2.gz ZQWJYLOWOXTUHD-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(C)ccc32)CC1 ZINC000765836967 1120117876 /nfs/dbraw/zinc/11/78/76/1120117876.db2.gz RLBHKFUNRCJHCD-IBGZPJMESA-N 2 1 284.447 3.612 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000328167410 1120166003 /nfs/dbraw/zinc/16/60/03/1120166003.db2.gz JPMMHBBFDOTIIS-GFCCVEGCSA-N 2 1 299.245 3.599 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000328167410 1120166004 /nfs/dbraw/zinc/16/60/04/1120166004.db2.gz JPMMHBBFDOTIIS-GFCCVEGCSA-N 2 1 299.245 3.599 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000508976501 1120567788 /nfs/dbraw/zinc/56/77/88/1120567788.db2.gz HCZLCZSDUXRTGQ-DZFIZOCASA-N 2 1 286.463 3.699 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780513 1120978959 /nfs/dbraw/zinc/97/89/59/1120978959.db2.gz RREHZBZALPEEPD-LNLFQRSKSA-N 2 1 286.463 3.841 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393449 1121576684 /nfs/dbraw/zinc/57/66/84/1121576684.db2.gz SRKBMOIIDUXUAR-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393449 1121576687 /nfs/dbraw/zinc/57/66/87/1121576687.db2.gz SRKBMOIIDUXUAR-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393449 1121576694 /nfs/dbraw/zinc/57/66/94/1121576694.db2.gz SRKBMOIIDUXUAR-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000152934437 1129012353 /nfs/dbraw/zinc/01/23/53/1129012353.db2.gz WVWATRHSLNOPRF-QGZVFWFLSA-N 2 1 286.463 3.995 20 30 CHEDMP CCCCCCCC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179772137 1121906719 /nfs/dbraw/zinc/90/67/19/1121906719.db2.gz WVUWOXKWTLFSKP-IRXDYDNUSA-N 2 1 298.515 3.560 20 30 CHEDMP CCC#C[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001192499834 1122648289 /nfs/dbraw/zinc/64/82/89/1122648289.db2.gz FUTXLEUITHMKLI-KRWDZBQOSA-N 2 1 290.495 3.622 20 30 CHEDMP C=CCCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001196960459 1122940976 /nfs/dbraw/zinc/94/09/76/1122940976.db2.gz CXQTYDZWVSGIRX-PMACEKPBSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CC[C@@H]1[N@H+](CCCn2cc[nH+]c2C)CCCC1(C)C ZINC000444777110 1124062150 /nfs/dbraw/zinc/06/21/50/1124062150.db2.gz DMKSXTHTOSNMEI-INIZCTEOSA-N 2 1 275.440 3.648 20 30 CHEDMP C=CC[C@@H]1[N@@H+](CCCn2cc[nH+]c2C)CCCC1(C)C ZINC000444777110 1124062152 /nfs/dbraw/zinc/06/21/52/1124062152.db2.gz DMKSXTHTOSNMEI-INIZCTEOSA-N 2 1 275.440 3.648 20 30 CHEDMP C=C(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000509638186 1124133766 /nfs/dbraw/zinc/13/37/66/1124133766.db2.gz CAIHDQFKHLZERZ-KRWDZBQOSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000449125079 1124652743 /nfs/dbraw/zinc/65/27/43/1124652743.db2.gz RSICQGVULMCYQF-INIZCTEOSA-N 2 1 264.457 3.751 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000449130235 1124652849 /nfs/dbraw/zinc/65/28/49/1124652849.db2.gz GBMHKXKPDSUAAJ-SJORKVTESA-N 2 1 266.473 3.831 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000449179873 1124666044 /nfs/dbraw/zinc/66/60/44/1124666044.db2.gz XIVFIRUVEFNOGY-XYTVBORESA-N 2 1 264.457 3.726 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000449179873 1124666045 /nfs/dbraw/zinc/66/60/45/1124666045.db2.gz XIVFIRUVEFNOGY-XYTVBORESA-N 2 1 264.457 3.726 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449486746 1124764820 /nfs/dbraw/zinc/76/48/20/1124764820.db2.gz VCHUNTSAMBVGRD-WMZOPIPTSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883173818 1125374706 /nfs/dbraw/zinc/37/47/06/1125374706.db2.gz UROYPNIFGZPLJG-VAMGGRTRSA-N 2 1 298.474 3.780 20 30 CHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248972723 1125456825 /nfs/dbraw/zinc/45/68/25/1125456825.db2.gz SZOJZRPGVOGCOE-VQIMIIECSA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248972723 1125456827 /nfs/dbraw/zinc/45/68/27/1125456827.db2.gz SZOJZRPGVOGCOE-VQIMIIECSA-N 2 1 297.446 3.570 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651790348 1129748284 /nfs/dbraw/zinc/74/82/84/1129748284.db2.gz TVGUNLZLGXBJQV-YZGWKJHDSA-N 2 1 298.474 3.843 20 30 CHEDMP C=CCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248053 1130728344 /nfs/dbraw/zinc/72/83/44/1130728344.db2.gz MFTKWFFDDQXDCH-RTBURBONSA-N 2 1 284.447 3.564 20 30 CHEDMP C=CCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248053 1130728348 /nfs/dbraw/zinc/72/83/48/1130728348.db2.gz MFTKWFFDDQXDCH-RTBURBONSA-N 2 1 284.447 3.564 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405492 1130738989 /nfs/dbraw/zinc/73/89/89/1130738989.db2.gz PHXARJHFUITYAC-IAGOWNOFSA-N 2 1 284.463 3.761 20 30 CHEDMP CCCCCCCCC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235393459 1130739552 /nfs/dbraw/zinc/73/95/52/1130739552.db2.gz AHEKSLZCTYKROB-HZPDHXFCSA-N 2 1 284.463 3.746 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235663172 1130762137 /nfs/dbraw/zinc/76/21/37/1130762137.db2.gz RYXSJKVLGLSQOR-UHFFFAOYSA-N 2 1 280.481 3.796 20 30 CHEDMP CCCCCCCC[N@@H+](C)CCC12CC([NH3+])(C1)C2 ZINC001235662901 1130762170 /nfs/dbraw/zinc/76/21/70/1130762170.db2.gz DOLOQDAPOGZSMH-UHFFFAOYSA-N 2 1 252.446 3.550 20 30 CHEDMP CCCCCCC[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC001235660574 1130762275 /nfs/dbraw/zinc/76/22/75/1130762275.db2.gz GZIRIHPSFDBEJS-INIZCTEOSA-N 2 1 254.462 3.668 20 30 CHEDMP CCCCCCC[N@@H+](CC)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235662353 1130762496 /nfs/dbraw/zinc/76/24/96/1130762496.db2.gz SCKYMBDSCKNDHP-CABCVRRESA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCC[N@H+](CC)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235662353 1130762492 /nfs/dbraw/zinc/76/24/92/1130762492.db2.gz SCKYMBDSCKNDHP-CABCVRRESA-N 2 1 290.442 3.770 20 30 CHEDMP C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235962540 1130819525 /nfs/dbraw/zinc/81/95/25/1130819525.db2.gz MVYXUUGIYNLRNR-UHFFFAOYSA-N 2 1 292.426 3.521 20 30 CHEDMP C=CCCCC[N@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236085583 1130854283 /nfs/dbraw/zinc/85/42/83/1130854283.db2.gz SOOGMMFHDZKJHB-UHFFFAOYSA-N 2 1 297.446 3.533 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236414186 1130932214 /nfs/dbraw/zinc/93/22/14/1130932214.db2.gz KLKJNDUQTPRTIH-JKSUJKDBSA-N 2 1 252.446 3.715 20 30 CHEDMP C=CCCCCCCC[N@H+](CCC)C1CC[NH2+]CC1 ZINC001236180116 1130880021 /nfs/dbraw/zinc/88/00/21/1130880021.db2.gz AGNRGZYZXXNDDR-UHFFFAOYSA-N 2 1 266.473 3.977 20 30 CHEDMP C=CC[N@H+](CCC[NH2+]C1CCCCC1)C(C)(C)C ZINC001236309398 1130912276 /nfs/dbraw/zinc/91/22/76/1130912276.db2.gz KNXRAOGUUGUAQV-UHFFFAOYSA-N 2 1 252.446 3.585 20 30 CHEDMP C=CCCCCCCC[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236460816 1130946053 /nfs/dbraw/zinc/94/60/53/1130946053.db2.gz SNJXNGWLANNDDE-UHFFFAOYSA-N 2 1 296.499 3.604 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000815652204 1131017566 /nfs/dbraw/zinc/01/75/66/1131017566.db2.gz UGACTMNBBDVOLW-OAHLLOKOSA-N 2 1 298.405 3.585 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000815652204 1131017571 /nfs/dbraw/zinc/01/75/71/1131017571.db2.gz UGACTMNBBDVOLW-OAHLLOKOSA-N 2 1 298.405 3.585 20 30 CHEDMP CCCCCCCCC[C@@H](CCC)N[C@H]([NH3+])CCC[NH3+] ZINC001246300930 1131453095 /nfs/dbraw/zinc/45/30/95/1131453095.db2.gz QKYZGMKOEOIYCY-SJORKVTESA-N 2 1 285.520 3.909 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824988597 1131493842 /nfs/dbraw/zinc/49/38/42/1131493842.db2.gz OQDXDRFJIAIOBF-XYTVBORESA-N 2 1 264.457 3.726 20 30 CHEDMP C#Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000825226153 1131502253 /nfs/dbraw/zinc/50/22/53/1131502253.db2.gz DRYQECDUKYGNAY-UHFFFAOYSA-N 2 1 296.458 3.555 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598600 1131711658 /nfs/dbraw/zinc/71/16/58/1131711658.db2.gz BMOJLTKUABNWKN-JKSUJKDBSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598600 1131711664 /nfs/dbraw/zinc/71/16/64/1131711664.db2.gz BMOJLTKUABNWKN-JKSUJKDBSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641751 1131765335 /nfs/dbraw/zinc/76/53/35/1131765335.db2.gz XPXCSRNGMWADNI-BRWVUGGUSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641751 1131765341 /nfs/dbraw/zinc/76/53/41/1131765341.db2.gz XPXCSRNGMWADNI-BRWVUGGUSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107930 1132129017 /nfs/dbraw/zinc/12/90/17/1132129017.db2.gz LUBVGUPADJBYRI-OSYLJGHBSA-N 2 1 266.473 3.952 20 30 CHEDMP C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172109042 1132130235 /nfs/dbraw/zinc/13/02/35/1132130235.db2.gz GJTKUABWQGOALU-AKHDSKFASA-N 2 1 284.447 3.909 20 30 CHEDMP C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172109042 1132130237 /nfs/dbraw/zinc/13/02/37/1132130237.db2.gz GJTKUABWQGOALU-AKHDSKFASA-N 2 1 284.447 3.909 20 30 CHEDMP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172478144 1132227659 /nfs/dbraw/zinc/22/76/59/1132227659.db2.gz BUJJXFBNZJTQGR-MJGOQNOKSA-N 2 1 299.462 3.571 20 30 CHEDMP C=CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232016004 1132411067 /nfs/dbraw/zinc/41/10/67/1132411067.db2.gz QENIVUJSLQEIGX-UHFFFAOYSA-N 2 1 277.371 3.751 20 30 CHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001162403561 1133075268 /nfs/dbraw/zinc/07/52/68/1133075268.db2.gz FHPKQSHINVSQFN-BHIYHBOVSA-N 2 1 299.462 3.691 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324713 1133561334 /nfs/dbraw/zinc/56/13/34/1133561334.db2.gz FOVURNDLVGTPEA-SCOAYWHSSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324713 1133561338 /nfs/dbraw/zinc/56/13/38/1133561338.db2.gz FOVURNDLVGTPEA-SCOAYWHSSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904517 1133628574 /nfs/dbraw/zinc/62/85/74/1133628574.db2.gz VRYXSPWPPPXQDA-JKSUJKDBSA-N 2 1 254.462 3.796 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981423 1133638395 /nfs/dbraw/zinc/63/83/95/1133638395.db2.gz CBMLAFSVKYJPMA-IAGOWNOFSA-N 2 1 266.473 3.820 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185609 1133777644 /nfs/dbraw/zinc/77/76/44/1133777644.db2.gz QOOXFGUZJCYPGQ-NVXWUHKLSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185609 1133777647 /nfs/dbraw/zinc/77/76/47/1133777647.db2.gz QOOXFGUZJCYPGQ-NVXWUHKLSA-N 2 1 264.457 3.728 20 30 CHEDMP CCCCCCC[N@H+](CC)C[C@@H]1CCC[NH+](C)C1 ZINC001208608749 1133918810 /nfs/dbraw/zinc/91/88/10/1133918810.db2.gz RWUVEWDPQKSRBI-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC[N@@H+](CC)C[C@@H]1CCC[NH+](C)C1 ZINC001208608749 1133918815 /nfs/dbraw/zinc/91/88/15/1133918815.db2.gz RWUVEWDPQKSRBI-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC[NH+](CC)C[C@@H]1CCC[N@H+](C)C1 ZINC001208608749 1133918825 /nfs/dbraw/zinc/91/88/25/1133918825.db2.gz RWUVEWDPQKSRBI-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC[NH+](CC)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608749 1133918831 /nfs/dbraw/zinc/91/88/31/1133918831.db2.gz RWUVEWDPQKSRBI-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP C=CCCCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001209199824 1133986177 /nfs/dbraw/zinc/98/61/77/1133986177.db2.gz BVKXPEVWCIJEGJ-UHFFFAOYSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141899 1135199735 /nfs/dbraw/zinc/19/97/35/1135199735.db2.gz SDQBASWZHZIJNF-GOSISDBHSA-N 2 1 278.484 3.979 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309764 1135223279 /nfs/dbraw/zinc/22/32/79/1135223279.db2.gz RFJQSICJHTZYAL-QGZVFWFLSA-N 2 1 266.473 3.955 20 30 CHEDMP C=CCCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595587 1135254564 /nfs/dbraw/zinc/25/45/64/1135254564.db2.gz DLYZPTQVWXGERF-IBGZPJMESA-N 2 1 298.474 3.812 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187823522 260060310 /nfs/dbraw/zinc/06/03/10/260060310.db2.gz LXPUUTZAQYZBOU-AWEZNQCLSA-N 2 1 292.854 3.684 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000297542404 260128431 /nfs/dbraw/zinc/12/84/31/260128431.db2.gz FCRJNGXGRQFPMX-CQSZACIVSA-N 2 1 278.465 3.748 20 30 CHEDMP CC(C)[NH+]1CCC([N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000336828041 262398509 /nfs/dbraw/zinc/39/85/09/262398509.db2.gz RLGMOALTHIUBBS-UHFFFAOYSA-N 2 1 279.472 3.511 20 30 CHEDMP C[C@H](CCC#N)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000276319291 263036131 /nfs/dbraw/zinc/03/61/31/263036131.db2.gz OKEYPWGJCATRIB-QGZVFWFLSA-N 2 1 299.462 3.523 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000532785802 328810577 /nfs/dbraw/zinc/81/05/77/328810577.db2.gz MGAXZTTUCSHIJH-MRXNPFEDSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000269444934 330069848 /nfs/dbraw/zinc/06/98/48/330069848.db2.gz UKKVDRVHRZJRPR-GOSISDBHSA-N 2 1 283.419 3.879 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccco1 ZINC000276423671 330113677 /nfs/dbraw/zinc/11/36/77/330113677.db2.gz HPXPDEIJSSMSJO-MRXNPFEDSA-N 2 1 287.407 3.862 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453309042 331114360 /nfs/dbraw/zinc/11/43/60/331114360.db2.gz ORJPKQFQKIPWLT-SJLPKXTDSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453309042 331114361 /nfs/dbraw/zinc/11/43/61/331114361.db2.gz ORJPKQFQKIPWLT-SJLPKXTDSA-N 2 1 286.463 3.699 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453384278 331126333 /nfs/dbraw/zinc/12/63/33/331126333.db2.gz ZNGFNWVZVSZKKV-LDLYASANSA-N 2 1 284.447 3.738 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000510728455 332913846 /nfs/dbraw/zinc/91/38/46/332913846.db2.gz AOLRRZZUNCLNEC-NVXWUHKLSA-N 2 1 282.447 3.535 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472064852 331528196 /nfs/dbraw/zinc/52/81/96/331528196.db2.gz UCUIRHKCSHYTBY-UHFFFAOYSA-N 2 1 297.446 3.525 20 30 CHEDMP C=CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000488467083 332011941 /nfs/dbraw/zinc/01/19/41/332011941.db2.gz QOSQBMLUCWKLLZ-HOTGVXAUSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000488467083 332011943 /nfs/dbraw/zinc/01/19/43/332011943.db2.gz QOSQBMLUCWKLLZ-HOTGVXAUSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000488467083 332011945 /nfs/dbraw/zinc/01/19/45/332011945.db2.gz QOSQBMLUCWKLLZ-HOTGVXAUSA-N 2 1 252.446 3.537 20 30 CHEDMP CC(C)[NH+](CC#CC[N@H+](C(C)C)C1CCC1)C1CCC1 ZINC000551395912 334249128 /nfs/dbraw/zinc/24/91/28/334249128.db2.gz WBGBMEAWQRYIMS-UHFFFAOYSA-N 2 1 276.468 3.516 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000153016519 334541030 /nfs/dbraw/zinc/54/10/30/334541030.db2.gz VQIBZWHWZQETGQ-KRWDZBQOSA-N 2 1 286.463 3.995 20 30 CHEDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000181846791 335788104 /nfs/dbraw/zinc/78/81/04/335788104.db2.gz MVQNAHKLQJIUAZ-INIZCTEOSA-N 2 1 287.451 3.718 20 30 CHEDMP CCCCCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201840148 1123155142 /nfs/dbraw/zinc/15/51/42/1123155142.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001201840148 1123155144 /nfs/dbraw/zinc/15/51/44/1123155144.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001201840148 1123155146 /nfs/dbraw/zinc/15/51/46/1123155146.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000532785801 1125581633 /nfs/dbraw/zinc/58/16/33/1125581633.db2.gz MGAXZTTUCSHIJH-INIZCTEOSA-N 2 1 278.484 3.833 20 30 CHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248730610 1125674770 /nfs/dbraw/zinc/67/47/70/1125674770.db2.gz DEEFBHLKGGPTAU-APWZRJJASA-N 2 1 299.462 3.699 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181511549 1126857055 /nfs/dbraw/zinc/85/70/55/1126857055.db2.gz JHXGMLREGDUDCP-SJORKVTESA-N 2 1 299.462 3.721 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602563915 1127593667 /nfs/dbraw/zinc/59/36/67/1127593667.db2.gz IBBOYRQNEJHINX-AOIWGVFYSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602563915 1127593670 /nfs/dbraw/zinc/59/36/70/1127593670.db2.gz IBBOYRQNEJHINX-AOIWGVFYSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000602669408 1127604125 /nfs/dbraw/zinc/60/41/25/1127604125.db2.gz WKJAKTFOGBMDRF-QGZVFWFLSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000602669408 1127604127 /nfs/dbraw/zinc/60/41/27/1127604127.db2.gz WKJAKTFOGBMDRF-QGZVFWFLSA-N 2 1 299.462 3.523 20 30 CHEDMP CC(C)[NH+]1CCC([N@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411223760 1127849770 /nfs/dbraw/zinc/84/97/70/1127849770.db2.gz IBKCMYDBHOPRDP-UHFFFAOYSA-N 2 1 291.483 3.655 20 30 CHEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411223760 1127849777 /nfs/dbraw/zinc/84/97/77/1127849777.db2.gz IBKCMYDBHOPRDP-UHFFFAOYSA-N 2 1 291.483 3.655 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000467415259 1127968003 /nfs/dbraw/zinc/96/80/03/1127968003.db2.gz YHMHMRYUFYBEJY-IYWMVGAKSA-N 2 1 298.474 3.841 20 30 CHEDMP C[N@@H+](CCCCC1(C#N)CCC1)CC[C@@H]1CCCC[NH+]1C ZINC000929722339 1128054478 /nfs/dbraw/zinc/05/44/78/1128054478.db2.gz MFDNGJWGEJPOAI-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779756 1128286916 /nfs/dbraw/zinc/28/69/16/1128286916.db2.gz IJTQFSTXHDRZSE-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779756 1128286919 /nfs/dbraw/zinc/28/69/19/1128286919.db2.gz IJTQFSTXHDRZSE-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779756 1128286922 /nfs/dbraw/zinc/28/69/22/1128286922.db2.gz IJTQFSTXHDRZSE-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000556863284 1128632405 /nfs/dbraw/zinc/63/24/05/1128632405.db2.gz XDTMNMROXVMDLT-CVEARBPZSA-N 2 1 276.424 3.608 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001258049170 1128688566 /nfs/dbraw/zinc/68/85/66/1128688566.db2.gz AQQXQNCRPNLGEF-YESZJQIVSA-N 2 1 266.473 3.761 20 30 CHEDMP C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668367 1118063466 /nfs/dbraw/zinc/06/34/66/1118063466.db2.gz NNQWAWRJRPOFMH-HZPDHXFCSA-N 2 1 291.483 3.559 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209445668 1118063495 /nfs/dbraw/zinc/06/34/95/1118063495.db2.gz MECJYWUUMHHLLO-QZTJIDSGSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403300833 1118707887 /nfs/dbraw/zinc/70/78/87/1118707887.db2.gz ZENGQTYTHSHESN-CQSZACIVSA-N 2 1 276.415 3.653 20 30 CHEDMP C=CCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000657567540 1119187796 /nfs/dbraw/zinc/18/77/96/1119187796.db2.gz SSBONHVCLLKHIO-SJORKVTESA-N 2 1 276.468 3.729 20 30 CHEDMP C=C(CC)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001167658048 1119311445 /nfs/dbraw/zinc/31/14/45/1119311445.db2.gz BKARLRVDFRVESH-QGZVFWFLSA-N 2 1 278.484 3.929 20 30 CHEDMP C[C@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157070883 1119383029 /nfs/dbraw/zinc/38/30/29/1119383029.db2.gz QQFKYVGGBQEODY-PKOBYXMFSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157070883 1119383032 /nfs/dbraw/zinc/38/30/32/1119383032.db2.gz QQFKYVGGBQEODY-PKOBYXMFSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@H]1C[C@H]([N@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157070883 1119383034 /nfs/dbraw/zinc/38/30/34/1119383034.db2.gz QQFKYVGGBQEODY-PKOBYXMFSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@H]1C[C@H]([N@@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157070883 1119383036 /nfs/dbraw/zinc/38/30/36/1119383036.db2.gz QQFKYVGGBQEODY-PKOBYXMFSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157071029 1119383431 /nfs/dbraw/zinc/38/34/31/1119383431.db2.gz QQFKYVGGBQEODY-MJGOQNOKSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157071029 1119383433 /nfs/dbraw/zinc/38/34/33/1119383433.db2.gz QQFKYVGGBQEODY-MJGOQNOKSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157071029 1119383438 /nfs/dbraw/zinc/38/34/38/1119383438.db2.gz QQFKYVGGBQEODY-MJGOQNOKSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157071029 1119383443 /nfs/dbraw/zinc/38/34/43/1119383443.db2.gz QQFKYVGGBQEODY-MJGOQNOKSA-N 2 1 299.462 3.665 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000657876670 1119590127 /nfs/dbraw/zinc/59/01/27/1119590127.db2.gz ZIKRJTYBTGQLIB-AEFFLSMTSA-N 2 1 276.468 3.751 20 30 CHEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccs1 ZINC000163407493 1119631482 /nfs/dbraw/zinc/63/14/82/1119631482.db2.gz SUABCLVQAPPTLS-UHFFFAOYSA-N 2 1 289.448 3.721 20 30 CHEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccs1 ZINC000163407493 1119631484 /nfs/dbraw/zinc/63/14/84/1119631484.db2.gz SUABCLVQAPPTLS-UHFFFAOYSA-N 2 1 289.448 3.721 20 30 CHEDMP C#CCN(C)CCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000328264877 1120169093 /nfs/dbraw/zinc/16/90/93/1120169093.db2.gz MEBGQVIOADMACY-GFCCVEGCSA-N 2 1 299.245 3.599 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631065152 1128981687 /nfs/dbraw/zinc/98/16/87/1128981687.db2.gz QWOYUALCFTXEGO-UHFFFAOYSA-N 2 1 298.405 3.719 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000152972650 1129014153 /nfs/dbraw/zinc/01/41/53/1129014153.db2.gz XINNBQKZWRWXBQ-INIZCTEOSA-N 2 1 298.474 3.866 20 30 CHEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420296379 1121994788 /nfs/dbraw/zinc/99/47/88/1121994788.db2.gz BQPFCLKHMAAMFD-ZDUSSCGKSA-N 2 1 298.883 3.779 20 30 CHEDMP C=CCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696204 1122483405 /nfs/dbraw/zinc/48/34/05/1122483405.db2.gz UMYGNMYWSSVFJA-MRXNPFEDSA-N 2 1 290.476 3.658 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205605285 1122656860 /nfs/dbraw/zinc/65/68/60/1122656860.db2.gz ZSHXCBBIDVFHEA-SJORKVTESA-N 2 1 266.473 3.820 20 30 CHEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021949 1123429490 /nfs/dbraw/zinc/42/94/90/1123429490.db2.gz RNFNKXSEEXNWFR-HNJRGHQBSA-N 2 1 298.474 3.820 20 30 CHEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021949 1123429492 /nfs/dbraw/zinc/42/94/92/1123429492.db2.gz RNFNKXSEEXNWFR-HNJRGHQBSA-N 2 1 298.474 3.820 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453302760 1123570281 /nfs/dbraw/zinc/57/02/81/1123570281.db2.gz AVGVFZMRAXAJIB-SJORKVTESA-N 2 1 272.436 3.624 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453302760 1123570284 /nfs/dbraw/zinc/57/02/84/1123570284.db2.gz AVGVFZMRAXAJIB-SJORKVTESA-N 2 1 272.436 3.624 20 30 CHEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019545 1131274746 /nfs/dbraw/zinc/27/47/46/1131274746.db2.gz FVRXWRZBTFKHCQ-QZTJIDSGSA-N 2 1 298.515 3.549 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449487111 1124766343 /nfs/dbraw/zinc/76/63/43/1124766343.db2.gz WUVOCJNJRVYJNJ-AEFFLSMTSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449487111 1124766336 /nfs/dbraw/zinc/76/63/36/1124766336.db2.gz WUVOCJNJRVYJNJ-AEFFLSMTSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638611311 1129263418 /nfs/dbraw/zinc/26/34/18/1129263418.db2.gz TWROLNDGEQDMJC-VDZJLULYSA-N 2 1 284.447 3.909 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638611311 1129263422 /nfs/dbraw/zinc/26/34/22/1129263422.db2.gz TWROLNDGEQDMJC-VDZJLULYSA-N 2 1 284.447 3.909 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226966 1129295039 /nfs/dbraw/zinc/29/50/39/1129295039.db2.gz JKIWRQUXJKCLTN-HKUYNNGSSA-N 2 1 284.447 3.910 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226966 1129295044 /nfs/dbraw/zinc/29/50/44/1129295044.db2.gz JKIWRQUXJKCLTN-HKUYNNGSSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639306475 1129301910 /nfs/dbraw/zinc/30/19/10/1129301910.db2.gz DOGOTHKTTBEDTL-WMZOPIPTSA-N 2 1 270.420 3.520 20 30 CHEDMP C=CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639306475 1129301914 /nfs/dbraw/zinc/30/19/14/1129301914.db2.gz DOGOTHKTTBEDTL-WMZOPIPTSA-N 2 1 270.420 3.520 20 30 CHEDMP CCCCCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000740875453 1129421752 /nfs/dbraw/zinc/42/17/52/1129421752.db2.gz AUXCBANBJIYCIY-UHFFFAOYSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000740874637 1129422120 /nfs/dbraw/zinc/42/21/20/1129422120.db2.gz XMXNSRROQHEJRR-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP CCCCCCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000740874637 1129422123 /nfs/dbraw/zinc/42/21/23/1129422123.db2.gz XMXNSRROQHEJRR-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP C=CCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258728787 1129587871 /nfs/dbraw/zinc/58/78/71/1129587871.db2.gz QEXCLROLAHEYHS-INIZCTEOSA-N 2 1 276.468 3.682 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000103028042 1129684272 /nfs/dbraw/zinc/68/42/72/1129684272.db2.gz NQTULGVNJSFIGW-HZPDHXFCSA-N 2 1 266.473 3.809 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206037826 1130314635 /nfs/dbraw/zinc/31/46/35/1130314635.db2.gz XXLYCCSFZBXFRI-HZPDHXFCSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206037826 1130314641 /nfs/dbraw/zinc/31/46/41/1130314641.db2.gz XXLYCCSFZBXFRI-HZPDHXFCSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000793517435 1130560599 /nfs/dbraw/zinc/56/05/99/1130560599.db2.gz NPLMTWTXNZRITR-HNNXBMFYSA-N 2 1 252.446 3.585 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000793521613 1130562064 /nfs/dbraw/zinc/56/20/64/1130562064.db2.gz CXBACIPXIXNEMH-ULQDDVLXSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000793521613 1130562071 /nfs/dbraw/zinc/56/20/71/1130562071.db2.gz CXBACIPXIXNEMH-ULQDDVLXSA-N 2 1 264.457 3.728 20 30 CHEDMP CCCCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979870 1130700711 /nfs/dbraw/zinc/70/07/11/1130700711.db2.gz SSOTZKPVFNMVMC-CALCHBBNSA-N 2 1 266.473 3.668 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399383 1130739515 /nfs/dbraw/zinc/73/95/15/1130739515.db2.gz AWHNOLLCHACELK-QZTJIDSGSA-N 2 1 296.474 3.927 20 30 CHEDMP N#CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235662856 1130762193 /nfs/dbraw/zinc/76/21/93/1130762193.db2.gz AMRZGLGMVVSRLJ-QGZVFWFLSA-N 2 1 291.483 3.705 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235702406 1130769673 /nfs/dbraw/zinc/76/96/73/1130769673.db2.gz JWTCPOUCJKNKRE-UHFFFAOYSA-N 2 1 280.415 3.724 20 30 CHEDMP CCCCCCCCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946695 1130812445 /nfs/dbraw/zinc/81/24/45/1130812445.db2.gz POCKPLFLGWJIGI-UHFFFAOYSA-N 2 1 298.515 3.828 20 30 CHEDMP Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1C#N ZINC001236550126 1130973418 /nfs/dbraw/zinc/97/34/18/1130973418.db2.gz GYDOLFWSKIIUFU-WGSAOQKQSA-N 2 1 299.462 3.595 20 30 CHEDMP C=CCCCC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567390 1130976494 /nfs/dbraw/zinc/97/64/94/1130976494.db2.gz UTOZIMKRUXKMRD-JCNLHEQBSA-N 2 1 264.457 3.857 20 30 CHEDMP CC(C)(C)C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768797 1131005536 /nfs/dbraw/zinc/00/55/36/1131005536.db2.gz PRSLMCOOYISKMK-IYARVYRRSA-N 2 1 299.462 3.676 20 30 CHEDMP CCC(CC)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781884 1131006302 /nfs/dbraw/zinc/00/63/02/1131006302.db2.gz AMPVGQBRKUNPLC-UAPYVXQJSA-N 2 1 299.462 3.819 20 30 CHEDMP CCCCCCCCCC[N@@H+](C)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246938886 1131823233 /nfs/dbraw/zinc/82/32/33/1131823233.db2.gz OTZQNGRRPHWQMN-QGZVFWFLSA-N 2 1 296.499 3.580 20 30 CHEDMP C#CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000773114940 1131947896 /nfs/dbraw/zinc/94/78/96/1131947896.db2.gz KZNUZZADDIBMBM-GOSISDBHSA-N 2 1 284.447 3.604 20 30 CHEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062540 1132125188 /nfs/dbraw/zinc/12/51/88/1132125188.db2.gz PCJLVEZSCZYMQA-LDLYASANSA-N 2 1 284.447 3.738 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172345789 1132180756 /nfs/dbraw/zinc/18/07/56/1132180756.db2.gz COANLEKBDTTXJV-HOTGVXAUSA-N 2 1 254.462 3.667 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]C1CC[NH+](C)CC1 ZINC001172351068 1132182820 /nfs/dbraw/zinc/18/28/20/1132182820.db2.gz CIQNNNFSILIHFI-HNNXBMFYSA-N 2 1 254.462 3.809 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172479126 1132227347 /nfs/dbraw/zinc/22/73/47/1132227347.db2.gz JSBHGRVHXOCACV-ZIFCJYIRSA-N 2 1 299.462 3.711 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172479126 1132227351 /nfs/dbraw/zinc/22/73/51/1132227351.db2.gz JSBHGRVHXOCACV-ZIFCJYIRSA-N 2 1 299.462 3.711 20 30 CHEDMP C=CCCCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296417 1133685393 /nfs/dbraw/zinc/68/53/93/1133685393.db2.gz SPEQLPUIRACOSI-MRXNPFEDSA-N 2 1 252.446 3.574 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606283 1133726982 /nfs/dbraw/zinc/72/69/82/1133726982.db2.gz JBRHECFOAICFCJ-KRWDZBQOSA-N 2 1 266.473 3.964 20 30 CHEDMP CCCCCCC[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207484687 1133806616 /nfs/dbraw/zinc/80/66/16/1133806616.db2.gz RJNTUYUPGMUHGJ-UHFFFAOYSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208120162 1133880593 /nfs/dbraw/zinc/88/05/93/1133880593.db2.gz LZXBNKSEWXMDPK-UIVAWZFMSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001208120162 1133880599 /nfs/dbraw/zinc/88/05/99/1133880599.db2.gz LZXBNKSEWXMDPK-UIVAWZFMSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001208120162 1133880604 /nfs/dbraw/zinc/88/06/04/1133880604.db2.gz LZXBNKSEWXMDPK-UIVAWZFMSA-N 2 1 278.484 3.787 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([N@@H+](C)CC)CC2)CC1 ZINC001208179168 1133899669 /nfs/dbraw/zinc/89/96/69/1133899669.db2.gz PHRBYCURGHAPRR-QGZVFWFLSA-N 2 1 276.468 3.705 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([N@H+](C)CC)CC2)CC1 ZINC001208179168 1133899675 /nfs/dbraw/zinc/89/96/75/1133899675.db2.gz PHRBYCURGHAPRR-QGZVFWFLSA-N 2 1 276.468 3.705 20 30 CHEDMP C=CCCCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209204645 1133987897 /nfs/dbraw/zinc/98/78/97/1133987897.db2.gz GSYBRPADCJDNDB-UHFFFAOYSA-N 2 1 298.474 3.865 20 30 CHEDMP C=CCCCCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001209435793 1134018416 /nfs/dbraw/zinc/01/84/16/1134018416.db2.gz JPERWAZAXFISQM-UHFFFAOYSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC001209435793 1134018420 /nfs/dbraw/zinc/01/84/20/1134018420.db2.gz JPERWAZAXFISQM-UHFFFAOYSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238027 1135212605 /nfs/dbraw/zinc/21/26/05/1135212605.db2.gz YREBZDYCQPLYRN-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000365442363 262365388 /nfs/dbraw/zinc/36/53/88/262365388.db2.gz JQLJGUPBXJWZCZ-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000193435724 267375875 /nfs/dbraw/zinc/37/58/75/267375875.db2.gz OWMIFJXMKOPSIS-MRXNPFEDSA-N 2 1 299.462 3.863 20 30 CHEDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000193435724 267375877 /nfs/dbraw/zinc/37/58/77/267375877.db2.gz OWMIFJXMKOPSIS-MRXNPFEDSA-N 2 1 299.462 3.863 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000237535135 327332454 /nfs/dbraw/zinc/33/24/54/327332454.db2.gz YVTPXGRHNWSRRM-DOTOQJQBSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000582610468 329116387 /nfs/dbraw/zinc/11/63/87/329116387.db2.gz XRXDXZWPYSQNIL-INIZCTEOSA-N 2 1 292.492 3.776 20 30 CHEDMP C=CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000582610468 329116388 /nfs/dbraw/zinc/11/63/88/329116388.db2.gz XRXDXZWPYSQNIL-INIZCTEOSA-N 2 1 292.492 3.776 20 30 CHEDMP C=CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000582610468 329116390 /nfs/dbraw/zinc/11/63/90/329116390.db2.gz XRXDXZWPYSQNIL-INIZCTEOSA-N 2 1 292.492 3.776 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000180948394 329224170 /nfs/dbraw/zinc/22/41/70/329224170.db2.gz XJXALLOUYUOYEU-UONOGXRCSA-N 2 1 269.392 3.796 20 30 CHEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000537046891 330394365 /nfs/dbraw/zinc/39/43/65/330394365.db2.gz PUXDXDSRCAILPO-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474713102 331595467 /nfs/dbraw/zinc/59/54/67/331595467.db2.gz WQNKNPRNLVUFKD-AEFFLSMTSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)C2CCCCC2)CC1 ZINC000482634995 331841456 /nfs/dbraw/zinc/84/14/56/331841456.db2.gz TWCPTXWCBARXDU-GOSISDBHSA-N 2 1 278.484 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000483303216 331868079 /nfs/dbraw/zinc/86/80/79/331868079.db2.gz FDBJZSHLYSPVOG-UHFFFAOYSA-N 2 1 264.457 3.587 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(C)cc2C)CC1 ZINC000236689619 333374585 /nfs/dbraw/zinc/37/45/85/333374585.db2.gz QLYHWYCQRDAONZ-UHFFFAOYSA-N 2 1 286.463 3.742 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245870473 334222152 /nfs/dbraw/zinc/22/21/52/334222152.db2.gz JHXGMLREGDUDCP-IAGOWNOFSA-N 2 1 299.462 3.721 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000152980676 334534639 /nfs/dbraw/zinc/53/46/39/334534639.db2.gz JXRXORUMKDONNU-HNAYVOBHSA-N 2 1 284.447 3.550 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)[C@@H](C)CCC)CC1 ZINC000153009398 334539209 /nfs/dbraw/zinc/53/92/09/334539209.db2.gz GPMCKBFYZTWABR-RDJZCZTQSA-N 2 1 266.473 3.831 20 30 CHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248745114 1125674675 /nfs/dbraw/zinc/67/46/75/1125674675.db2.gz FLFUXNRGJRKBRA-APWZRJJASA-N 2 1 299.462 3.699 20 30 CHEDMP C=CCCCC[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001278269348 1131234578 /nfs/dbraw/zinc/23/45/78/1131234578.db2.gz DACIKZXKCIEUPD-UHFFFAOYSA-N 2 1 298.474 3.822 20 30 CHEDMP C=CCCCC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001278270141 1131236007 /nfs/dbraw/zinc/23/60/07/1131236007.db2.gz GNERCRKIULXPEI-HDICACEKSA-N 2 1 290.495 3.929 20 30 CHEDMP C=CCCCC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001278270141 1131236011 /nfs/dbraw/zinc/23/60/11/1131236011.db2.gz GNERCRKIULXPEI-HDICACEKSA-N 2 1 290.495 3.929 20 30 CHEDMP C=CCCCC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001278270141 1131236015 /nfs/dbraw/zinc/23/60/15/1131236015.db2.gz GNERCRKIULXPEI-HDICACEKSA-N 2 1 290.495 3.929 20 30 CHEDMP C=C(C)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466840 1126788237 /nfs/dbraw/zinc/78/82/37/1126788237.db2.gz BNPXZLJZFUBEBG-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466840 1126788241 /nfs/dbraw/zinc/78/82/41/1126788241.db2.gz BNPXZLJZFUBEBG-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466840 1126788244 /nfs/dbraw/zinc/78/82/44/1126788244.db2.gz BNPXZLJZFUBEBG-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466840 1126788248 /nfs/dbraw/zinc/78/82/48/1126788248.db2.gz BNPXZLJZFUBEBG-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466840 1126788250 /nfs/dbraw/zinc/78/82/50/1126788250.db2.gz BNPXZLJZFUBEBG-OALUTQOASA-N 2 1 284.447 3.549 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110645 1130712369 /nfs/dbraw/zinc/71/23/69/1130712369.db2.gz KXHLAKDTOKAGTO-KRWDZBQOSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110645 1130712372 /nfs/dbraw/zinc/71/23/72/1130712372.db2.gz KXHLAKDTOKAGTO-KRWDZBQOSA-N 2 1 266.473 3.955 20 30 CHEDMP C=CCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000571869730 1127179382 /nfs/dbraw/zinc/17/93/82/1127179382.db2.gz AQWRRDFQKNGDRM-UHFFFAOYSA-N 2 1 287.451 3.755 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168388111 1127216786 /nfs/dbraw/zinc/21/67/86/1127216786.db2.gz ASAHWFUJICXSPG-UHFFFAOYSA-N 2 1 298.474 3.939 20 30 CHEDMP C=CCCCCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817932800 1131193002 /nfs/dbraw/zinc/19/30/02/1131193002.db2.gz WZHGSAIQJRCEQY-CQSZACIVSA-N 2 1 261.413 3.671 20 30 CHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602591276 1127595228 /nfs/dbraw/zinc/59/52/28/1127595228.db2.gz FYKZSAQVHHYDMO-INIZCTEOSA-N 2 1 287.451 3.556 20 30 CHEDMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980672 1127649262 /nfs/dbraw/zinc/64/92/62/1127649262.db2.gz NQTNIZGWBQZRHY-QZTJIDSGSA-N 2 1 299.462 3.884 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000540147722 1127962717 /nfs/dbraw/zinc/96/27/17/1127962717.db2.gz PWPVSUASAPKXII-WMZOPIPTSA-N 2 1 278.484 3.689 20 30 CHEDMP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)ccc1C#N ZINC000443986686 1128110992 /nfs/dbraw/zinc/11/09/92/1128110992.db2.gz LJRZHBXOEOUKQS-UHFFFAOYSA-N 2 1 299.462 3.611 20 30 CHEDMP Cc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)ccc1C#N ZINC000443986686 1128110995 /nfs/dbraw/zinc/11/09/95/1128110995.db2.gz LJRZHBXOEOUKQS-UHFFFAOYSA-N 2 1 299.462 3.611 20 30 CHEDMP CCCCCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172355 1128311940 /nfs/dbraw/zinc/31/19/40/1128311940.db2.gz MATRZARJJNZMJS-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929407 1128395753 /nfs/dbraw/zinc/39/57/53/1128395753.db2.gz NZRZSVOXZAWTKU-QZTJIDSGSA-N 2 1 278.484 3.835 20 30 CHEDMP C=CC[N@@H+](CCC[NH+]1CCCCC1)C1CCCCC1 ZINC001209453390 1118064796 /nfs/dbraw/zinc/06/47/96/1118064796.db2.gz HERLLTREXLWLCN-UHFFFAOYSA-N 2 1 264.457 3.683 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471585255 1118468590 /nfs/dbraw/zinc/46/85/90/1118468590.db2.gz LBHRCHOTRVBNNJ-PKOBYXMFSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471585255 1118468592 /nfs/dbraw/zinc/46/85/92/1118468592.db2.gz LBHRCHOTRVBNNJ-PKOBYXMFSA-N 2 1 286.463 3.843 20 30 CHEDMP CCCCCCCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708853187 1119986358 /nfs/dbraw/zinc/98/63/58/1119986358.db2.gz PGAIMVGAJSVBAE-JKSUJKDBSA-N 2 1 254.462 3.654 20 30 CHEDMP C=CCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000313846189 1120153212 /nfs/dbraw/zinc/15/32/12/1120153212.db2.gz RFMLRIDUECHYFC-UHFFFAOYSA-N 2 1 286.463 3.639 20 30 CHEDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000181846744 1128908665 /nfs/dbraw/zinc/90/86/65/1128908665.db2.gz MZFSITQIFDZCEE-INIZCTEOSA-N 2 1 287.451 3.718 20 30 CHEDMP C=C(C)CC[N@H+](C)[C@@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000508975770 1120566630 /nfs/dbraw/zinc/56/66/30/1120566630.db2.gz HAQSIKDHUDBDAU-QGZVFWFLSA-N 2 1 264.457 3.705 20 30 CHEDMP C=C(C)CC[NH+](C)[C@@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC000508975770 1120566632 /nfs/dbraw/zinc/56/66/32/1120566632.db2.gz HAQSIKDHUDBDAU-QGZVFWFLSA-N 2 1 264.457 3.705 20 30 CHEDMP C=C(C)CC[NH+](C)[C@@H]1CCC[N@@H+](CCC(=C)C)CC1 ZINC000508975770 1120566637 /nfs/dbraw/zinc/56/66/37/1120566637.db2.gz HAQSIKDHUDBDAU-QGZVFWFLSA-N 2 1 264.457 3.705 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465624 1120605578 /nfs/dbraw/zinc/60/55/78/1120605578.db2.gz WIJZDCPUEIHWCQ-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465624 1120605581 /nfs/dbraw/zinc/60/55/81/1120605581.db2.gz WIJZDCPUEIHWCQ-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651668704 1120705038 /nfs/dbraw/zinc/70/50/38/1120705038.db2.gz VISWZBKLFYGBHV-PXNSSMCTSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000651758788 1120736638 /nfs/dbraw/zinc/73/66/38/1120736638.db2.gz NVQIVUYOKBGWFA-MLHJIOFPSA-N 2 1 290.495 3.974 20 30 CHEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000344187600 1121115389 /nfs/dbraw/zinc/11/53/89/1121115389.db2.gz IBZNSTACLLLEEX-MRXNPFEDSA-N 2 1 279.472 3.561 20 30 CHEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000344187600 1121115391 /nfs/dbraw/zinc/11/53/91/1121115391.db2.gz IBZNSTACLLLEEX-MRXNPFEDSA-N 2 1 279.472 3.561 20 30 CHEDMP CC[C@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390958888 1121136751 /nfs/dbraw/zinc/13/67/51/1121136751.db2.gz LFVNFTRGUILZNL-MSOLQXFVSA-N 2 1 299.462 3.569 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658115308 1121166306 /nfs/dbraw/zinc/16/63/06/1121166306.db2.gz UNORCKRFVXTOBE-IPMKNSEASA-N 2 1 284.447 3.595 20 30 CHEDMP C=CCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237750 1121218932 /nfs/dbraw/zinc/21/89/32/1121218932.db2.gz VQTLTSDXUQCWIU-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237750 1121218939 /nfs/dbraw/zinc/21/89/39/1121218939.db2.gz VQTLTSDXUQCWIU-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237750 1121218943 /nfs/dbraw/zinc/21/89/43/1121218943.db2.gz VQTLTSDXUQCWIU-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393446 1121576760 /nfs/dbraw/zinc/57/67/60/1121576760.db2.gz SRKBMOIIDUXUAR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393446 1121576765 /nfs/dbraw/zinc/57/67/65/1121576765.db2.gz SRKBMOIIDUXUAR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393446 1121576772 /nfs/dbraw/zinc/57/67/72/1121576772.db2.gz SRKBMOIIDUXUAR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295688 1121716324 /nfs/dbraw/zinc/71/63/24/1121716324.db2.gz MYMMMEFOQRSDPS-MRXNPFEDSA-N 2 1 254.462 3.798 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295686 1121716682 /nfs/dbraw/zinc/71/66/82/1121716682.db2.gz MYMMMEFOQRSDPS-INIZCTEOSA-N 2 1 254.462 3.798 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)C[C@@H](C)CC)CC1 ZINC000153016924 1129015934 /nfs/dbraw/zinc/01/59/34/1129015934.db2.gz JZQZCNNWUKJBBG-HOTGVXAUSA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000153002033 1129016163 /nfs/dbraw/zinc/01/61/63/1129016163.db2.gz ZSRCAPQERIANQH-ZDUSSCGKSA-N 2 1 294.389 3.656 20 30 CHEDMP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H](C)C[NH3+] ZINC001245981833 1131264521 /nfs/dbraw/zinc/26/45/21/1131264521.db2.gz MXSOHUNRPGVILG-SJORKVTESA-N 2 1 286.504 3.595 20 30 CHEDMP C=CC[C@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000878150916 1125123692 /nfs/dbraw/zinc/12/36/92/1125123692.db2.gz QOPDNQIOFKBHGT-INIZCTEOSA-N 2 1 287.451 3.585 20 30 CHEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638750444 1129268072 /nfs/dbraw/zinc/26/80/72/1129268072.db2.gz ULOPABPTQPXRSV-LESCRADOSA-N 2 1 270.420 3.519 20 30 CHEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638750444 1129268073 /nfs/dbraw/zinc/26/80/73/1129268073.db2.gz ULOPABPTQPXRSV-LESCRADOSA-N 2 1 270.420 3.519 20 30 CHEDMP CCCCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250807508 1129498523 /nfs/dbraw/zinc/49/85/23/1129498523.db2.gz GFDGWSHEZHJANM-IRXDYDNUSA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139051 1129702409 /nfs/dbraw/zinc/70/24/09/1129702409.db2.gz LXIFHTCFVVRNBX-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139051 1129702412 /nfs/dbraw/zinc/70/24/12/1129702412.db2.gz LXIFHTCFVVRNBX-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139051 1129702414 /nfs/dbraw/zinc/70/24/14/1129702414.db2.gz LXIFHTCFVVRNBX-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000793521615 1130561954 /nfs/dbraw/zinc/56/19/54/1130561954.db2.gz CXBACIPXIXNEMH-YESZJQIVSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000793521615 1130561959 /nfs/dbraw/zinc/56/19/59/1130561959.db2.gz CXBACIPXIXNEMH-YESZJQIVSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016945 1130703060 /nfs/dbraw/zinc/70/30/60/1130703060.db2.gz KGLATVVHFKRBRX-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016945 1130703070 /nfs/dbraw/zinc/70/30/70/1130703070.db2.gz KGLATVVHFKRBRX-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394235 1130739112 /nfs/dbraw/zinc/73/91/12/1130739112.db2.gz CONCELJABRLPHV-PIIXRYACSA-N 2 1 296.474 3.912 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001235748653 1130777442 /nfs/dbraw/zinc/77/74/42/1130777442.db2.gz DDGGTOKJGCZDBQ-INIZCTEOSA-N 2 1 252.446 3.574 20 30 CHEDMP CCCCCCC[N@H+](CC)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235662356 1130761823 /nfs/dbraw/zinc/76/18/23/1130761823.db2.gz SCKYMBDSCKNDHP-GJZGRUSLSA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCC[N@@H+](CC)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235662356 1130761828 /nfs/dbraw/zinc/76/18/28/1130761828.db2.gz SCKYMBDSCKNDHP-GJZGRUSLSA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1CCC([NH2+]C)CC1 ZINC001235789456 1130779962 /nfs/dbraw/zinc/77/99/62/1130779962.db2.gz QZXFPBIEDIMCCR-MDZDMXLPSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950886 1130814067 /nfs/dbraw/zinc/81/40/67/1130814067.db2.gz OMMQHZYZBKUKFL-OAGJVSPASA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367987 1130921472 /nfs/dbraw/zinc/92/14/72/1130921472.db2.gz RHLZZYUCSDVPLT-UHFFFAOYSA-N 2 1 290.426 3.736 20 30 CHEDMP C=CCCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367987 1130921474 /nfs/dbraw/zinc/92/14/74/1130921474.db2.gz RHLZZYUCSDVPLT-UHFFFAOYSA-N 2 1 290.426 3.736 20 30 CHEDMP C=CCCCCCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584535 1130980656 /nfs/dbraw/zinc/98/06/56/1130980656.db2.gz JHCBPCCVVHJVOB-QGZVFWFLSA-N 2 1 278.484 3.977 20 30 CHEDMP C=CCCCCC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237358720 1131090534 /nfs/dbraw/zinc/09/05/34/1131090534.db2.gz JTLPNDNWJHATHU-UHFFFAOYSA-N 2 1 284.447 3.827 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535475 1131573696 /nfs/dbraw/zinc/57/36/96/1131573696.db2.gz MHDLDFIYOQBLJF-IRXDYDNUSA-N 2 1 284.488 3.565 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846227467 1131701914 /nfs/dbraw/zinc/70/19/14/1131701914.db2.gz RRTQREVVJLLCNO-KZNAEPCWSA-N 2 1 296.499 3.708 20 30 CHEDMP CCCCCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000772948012 1131718529 /nfs/dbraw/zinc/71/85/29/1131718529.db2.gz DHVCHRFBBCZGDN-CVEARBPZSA-N 2 1 254.462 3.667 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246660455 1131779457 /nfs/dbraw/zinc/77/94/57/1131779457.db2.gz BWZJDJIDJAPCDJ-IXDOHACOSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246660455 1131779460 /nfs/dbraw/zinc/77/94/60/1131779460.db2.gz BWZJDJIDJAPCDJ-IXDOHACOSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803099 1131925743 /nfs/dbraw/zinc/92/57/43/1131925743.db2.gz KPFIWAYMXZBURW-UHFFFAOYSA-N 2 1 259.397 3.965 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803099 1131925748 /nfs/dbraw/zinc/92/57/48/1131925748.db2.gz KPFIWAYMXZBURW-UHFFFAOYSA-N 2 1 259.397 3.965 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718470 1132030441 /nfs/dbraw/zinc/03/04/41/1132030441.db2.gz ONHYGIVJFIOLQE-BVBHFADKSA-N 2 1 284.447 3.594 20 30 CHEDMP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971516 1132118214 /nfs/dbraw/zinc/11/82/14/1132118214.db2.gz IZAZMUXKWGCODG-KRWDZBQOSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCCCCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000806175445 1132119343 /nfs/dbraw/zinc/11/93/43/1132119343.db2.gz AMQQQBWNFGUJTA-UHFFFAOYSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984277 1132120156 /nfs/dbraw/zinc/12/01/56/1132120156.db2.gz UKQKJQILEWEATE-GOSISDBHSA-N 2 1 286.463 3.985 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493822 1132249000 /nfs/dbraw/zinc/24/90/00/1132249000.db2.gz WBDPVONRYGMOIF-ZOBUZTSGSA-N 2 1 277.456 3.583 20 30 CHEDMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001173113214 1132394929 /nfs/dbraw/zinc/39/49/29/1132394929.db2.gz HWZRCBMPMLBHMP-UHFFFAOYSA-N 2 1 299.462 3.643 20 30 CHEDMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCC(CC#N)CC2)CC1 ZINC001173335592 1132465008 /nfs/dbraw/zinc/46/50/08/1132465008.db2.gz RSKFVKQEMPLCRP-UHFFFAOYSA-N 2 1 291.483 3.511 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094172 1133527540 /nfs/dbraw/zinc/52/75/40/1133527540.db2.gz JWOYVUJWOATDPV-FDMDGMSGSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CC[C@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC001205924678 1133630852 /nfs/dbraw/zinc/63/08/52/1133630852.db2.gz KIUMDDFUFWUXLS-BZSNNMDCSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156993 1133665360 /nfs/dbraw/zinc/66/53/60/1133665360.db2.gz VKQPDGDKOOOWJM-CVEARBPZSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156993 1133665363 /nfs/dbraw/zinc/66/53/63/1133665363.db2.gz VKQPDGDKOOOWJM-CVEARBPZSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001209425019 1134014806 /nfs/dbraw/zinc/01/48/06/1134014806.db2.gz YQDJYYUOZRBRRW-UHFFFAOYSA-N 2 1 287.451 3.675 20 30 CHEDMP C=CCCCCCCC[N@H+](CC)C1CCN(C)CC1 ZINC001209438159 1134019493 /nfs/dbraw/zinc/01/94/93/1134019493.db2.gz AJXDVFYMCGUOCN-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209446245 1134024893 /nfs/dbraw/zinc/02/48/93/1134024893.db2.gz UKALFLDPZYYPBP-UHFFFAOYSA-N 2 1 275.440 3.658 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209446245 1134024898 /nfs/dbraw/zinc/02/48/98/1134024898.db2.gz UKALFLDPZYYPBP-UHFFFAOYSA-N 2 1 275.440 3.658 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344665 1135230131 /nfs/dbraw/zinc/23/01/31/1135230131.db2.gz BVIXPPGBEFTHMS-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344665 1135230134 /nfs/dbraw/zinc/23/01/34/1135230134.db2.gz BVIXPPGBEFTHMS-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000574005332 334984435 /nfs/dbraw/zinc/98/44/35/334984435.db2.gz IFXIUGCZFZGMAY-NVXWUHKLSA-N 2 1 276.468 3.609 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000286275076 263097859 /nfs/dbraw/zinc/09/78/59/263097859.db2.gz VNJBNIOESXGBKZ-JKSUJKDBSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000286275076 263097860 /nfs/dbraw/zinc/09/78/60/263097860.db2.gz VNJBNIOESXGBKZ-JKSUJKDBSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534964219 328372125 /nfs/dbraw/zinc/37/21/25/328372125.db2.gz WJIHQFOMJKMGFJ-UHFFFAOYSA-N 2 1 298.474 3.941 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000348406481 328579288 /nfs/dbraw/zinc/57/92/88/328579288.db2.gz SSIKEOHKBJYKEK-AWEZNQCLSA-N 2 1 294.402 3.525 20 30 CHEDMP C=C(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423034597 330166241 /nfs/dbraw/zinc/16/62/41/330166241.db2.gz XPHHVPXLXZHIQG-UXHICEINSA-N 2 1 292.426 3.783 20 30 CHEDMP C[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953367 330294673 /nfs/dbraw/zinc/29/46/73/330294673.db2.gz WSFVRTXVRIQRLN-HNAYVOBHSA-N 2 1 297.446 3.616 20 30 CHEDMP C[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953367 330294674 /nfs/dbraw/zinc/29/46/74/330294674.db2.gz WSFVRTXVRIQRLN-HNAYVOBHSA-N 2 1 297.446 3.616 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463274031 331344827 /nfs/dbraw/zinc/34/48/27/331344827.db2.gz BWQFUHRJFJJXPX-IEBWSBKVSA-N 2 1 286.463 3.985 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463274031 331344828 /nfs/dbraw/zinc/34/48/28/331344828.db2.gz BWQFUHRJFJJXPX-IEBWSBKVSA-N 2 1 286.463 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000491038356 332141338 /nfs/dbraw/zinc/14/13/38/332141338.db2.gz PKJDUEDCASQFML-UZLBHIALSA-N 2 1 298.474 3.858 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000134165847 334082733 /nfs/dbraw/zinc/08/27/33/334082733.db2.gz BYGFQHGMGDOZPS-AEFFLSMTSA-N 2 1 276.468 3.609 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245932339 334224758 /nfs/dbraw/zinc/22/47/58/334224758.db2.gz SOUAXIIHEQHHFR-IAGOWNOFSA-N 2 1 299.462 3.721 20 30 CHEDMP C=C[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1C=C ZINC000581107546 336008966 /nfs/dbraw/zinc/00/89/66/336008966.db2.gz JSUBJMFIRWCPJT-HDICACEKSA-N 2 1 276.468 3.848 20 30 CHEDMP C=C[C@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@H]1C=C ZINC000581107546 336008967 /nfs/dbraw/zinc/00/89/67/336008967.db2.gz JSUBJMFIRWCPJT-HDICACEKSA-N 2 1 276.468 3.848 20 30 CHEDMP C=C[C@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@H]1C=C ZINC000581107546 336008968 /nfs/dbraw/zinc/00/89/68/336008968.db2.gz JSUBJMFIRWCPJT-HDICACEKSA-N 2 1 276.468 3.848 20 30 CHEDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833107 522864219 /nfs/dbraw/zinc/86/42/19/522864219.db2.gz UFUJGPUGRXJIHX-IEBWSBKVSA-N 2 1 299.462 3.719 20 30 CHEDMP C=C[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353408151 527415181 /nfs/dbraw/zinc/41/51/81/527415181.db2.gz YWWOUPCADSWUAJ-FAEJEUNOSA-N 2 1 272.436 3.594 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000439084507 1122751693 /nfs/dbraw/zinc/75/16/93/1122751693.db2.gz LBCCTKVNHJGLLQ-DOTOQJQBSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904745 1123069702 /nfs/dbraw/zinc/06/97/02/1123069702.db2.gz XELFPXIVIQARCN-CVEARBPZSA-N 2 1 252.446 3.572 20 30 CHEDMP CCCCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201839884 1123155363 /nfs/dbraw/zinc/15/53/63/1123155363.db2.gz LNRWCYPHEFUQCM-UHFFFAOYSA-N 2 1 252.446 3.517 20 30 CHEDMP C=CCCCCCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209439277 1134020423 /nfs/dbraw/zinc/02/04/23/1134020423.db2.gz LUESVEGHLFPWCG-QGZVFWFLSA-N 2 1 264.457 3.683 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCC#N)cc1 ZINC000178645446 1126818102 /nfs/dbraw/zinc/81/81/02/1126818102.db2.gz SWVVMEKLENPKFT-AWEZNQCLSA-N 2 1 282.391 3.525 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041724 1130704268 /nfs/dbraw/zinc/70/42/68/1130704268.db2.gz SAAWRGVZAVRZFG-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)c2cccnc2)CC1 ZINC000185384331 1126899820 /nfs/dbraw/zinc/89/98/20/1126899820.db2.gz QMHAYSSVPFLIOO-SFHVURJKSA-N 2 1 287.451 3.553 20 30 CHEDMP C=CC[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168387570 1127214426 /nfs/dbraw/zinc/21/44/26/1127214426.db2.gz KZSDFSKLEJNWPN-UHFFFAOYSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168387570 1127214428 /nfs/dbraw/zinc/21/44/28/1127214428.db2.gz KZSDFSKLEJNWPN-UHFFFAOYSA-N 2 1 284.447 3.549 20 30 CHEDMP C[C@H](CC[NH2+]C1CCC(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000602574389 1127594246 /nfs/dbraw/zinc/59/42/46/1127594246.db2.gz ZUQKATHPDWJSKK-LRYGQEGESA-N 2 1 299.462 3.569 20 30 CHEDMP CC(C)(C#N)CCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602953189 1127622341 /nfs/dbraw/zinc/62/23/41/1127622341.db2.gz XIJGPVRDPNQVKM-UHFFFAOYSA-N 2 1 291.483 3.657 20 30 CHEDMP C[N@H+]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980674 1127649389 /nfs/dbraw/zinc/64/93/89/1127649389.db2.gz NQTNIZGWBQZRHY-ZWKOTPCHSA-N 2 1 299.462 3.884 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000467415258 1127968037 /nfs/dbraw/zinc/96/80/37/1127968037.db2.gz YHMHMRYUFYBEJY-FUMNGEBKSA-N 2 1 298.474 3.841 20 30 CHEDMP C=C(C)CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000470906980 1128080282 /nfs/dbraw/zinc/08/02/82/1128080282.db2.gz QLPKUCUNIVXFPD-GOSISDBHSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000470906980 1128080287 /nfs/dbraw/zinc/08/02/87/1128080287.db2.gz QLPKUCUNIVXFPD-GOSISDBHSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000470906980 1128080291 /nfs/dbraw/zinc/08/02/91/1128080291.db2.gz QLPKUCUNIVXFPD-GOSISDBHSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000470906980 1128080294 /nfs/dbraw/zinc/08/02/94/1128080294.db2.gz QLPKUCUNIVXFPD-GOSISDBHSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000470906980 1128080298 /nfs/dbraw/zinc/08/02/98/1128080298.db2.gz QLPKUCUNIVXFPD-GOSISDBHSA-N 2 1 272.436 3.549 20 30 CHEDMP C=CCCCCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152280 1128305737 /nfs/dbraw/zinc/30/57/37/1128305737.db2.gz LUYJSCNAIBXSMU-SFHVURJKSA-N 2 1 278.484 3.977 20 30 CHEDMP C=CCC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000623541449 1117869588 /nfs/dbraw/zinc/86/95/88/1117869588.db2.gz KMONOBMKBOYRLC-OAHLLOKOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccccc2)CC1 ZINC000152964679 1119137453 /nfs/dbraw/zinc/13/74/53/1119137453.db2.gz KEKSAHYEAKUFEX-GOSISDBHSA-N 2 1 272.436 3.768 20 30 CHEDMP CCCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375738189 1119341959 /nfs/dbraw/zinc/34/19/59/1119341959.db2.gz LGOKOQDNYPLIFY-XYPWUTKMSA-N 2 1 252.446 3.514 20 30 CHEDMP CCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375738189 1119341963 /nfs/dbraw/zinc/34/19/63/1119341963.db2.gz LGOKOQDNYPLIFY-XYPWUTKMSA-N 2 1 252.446 3.514 20 30 CHEDMP CCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375738189 1119341964 /nfs/dbraw/zinc/34/19/64/1119341964.db2.gz LGOKOQDNYPLIFY-XYPWUTKMSA-N 2 1 252.446 3.514 20 30 CHEDMP C=CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000658096348 1119681607 /nfs/dbraw/zinc/68/16/07/1119681607.db2.gz DWBNIDGILRRQTE-HZPDHXFCSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000765837823 1120116999 /nfs/dbraw/zinc/11/69/99/1120116999.db2.gz VHJUMCKWOMUXCF-ZHALLVOQSA-N 2 1 290.495 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CC)CC1 ZINC000181746601 1120143336 /nfs/dbraw/zinc/14/33/36/1120143336.db2.gz QWWSITGXPCDCKF-RDJZCZTQSA-N 2 1 264.457 3.585 20 30 CHEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000695843765 1120517294 /nfs/dbraw/zinc/51/72/94/1120517294.db2.gz RIEFOZZBUADFRP-OAHLLOKOSA-N 2 1 279.472 3.559 20 30 CHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000695861521 1120532428 /nfs/dbraw/zinc/53/24/28/1120532428.db2.gz BKDXDCSVKJIABL-INIZCTEOSA-N 2 1 299.462 3.569 20 30 CHEDMP CCCC[N@@H+](CCC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167828051 1121006445 /nfs/dbraw/zinc/00/64/45/1121006445.db2.gz VPKUEHNAODAKPX-INIZCTEOSA-N 2 1 267.461 3.513 20 30 CHEDMP C=CCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000658096668 1121158576 /nfs/dbraw/zinc/15/85/76/1121158576.db2.gz DLOMLGABLFYXTB-UHFFFAOYSA-N 2 1 276.468 3.729 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658115311 1121166061 /nfs/dbraw/zinc/16/60/61/1121166061.db2.gz UNORCKRFVXTOBE-OTWHNJEPSA-N 2 1 284.447 3.595 20 30 CHEDMP C=C(C)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512239949 1121219058 /nfs/dbraw/zinc/21/90/58/1121219058.db2.gz BSWOVBNRWFOFRI-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(C)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512239949 1121219061 /nfs/dbraw/zinc/21/90/61/1121219061.db2.gz BSWOVBNRWFOFRI-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(C)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512239949 1121219070 /nfs/dbraw/zinc/21/90/70/1121219070.db2.gz BSWOVBNRWFOFRI-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)Cc2cccs2)CC1 ZINC000675827535 1121367601 /nfs/dbraw/zinc/36/76/01/1121367601.db2.gz BMBDOXLTXUXWDU-OAHLLOKOSA-N 2 1 292.492 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)Cc2cccs2)CC1 ZINC000675827534 1121368268 /nfs/dbraw/zinc/36/82/68/1121368268.db2.gz BMBDOXLTXUXWDU-HNNXBMFYSA-N 2 1 292.492 3.699 20 30 CHEDMP C=CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280245743 1121879603 /nfs/dbraw/zinc/87/96/03/1121879603.db2.gz YNUZFRHIHUWPGV-REPLKXPHSA-N 2 1 284.447 3.738 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000153022472 1129016209 /nfs/dbraw/zinc/01/62/09/1129016209.db2.gz QJWQDXGNKGVDDX-FUHWJXTLSA-N 2 1 276.468 3.585 20 30 CHEDMP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC1 ZINC000439092983 1122752802 /nfs/dbraw/zinc/75/28/02/1122752802.db2.gz PWCHHNOYXYFNFK-INIZCTEOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009567 1123654093 /nfs/dbraw/zinc/65/40/93/1123654093.db2.gz XDGKVPYGWFGYQS-QGZVFWFLSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212416 1123690113 /nfs/dbraw/zinc/69/01/13/1123690113.db2.gz JJLPFKVQXYHFPX-UHFFFAOYSA-N 2 1 260.425 3.536 20 30 CHEDMP C=CC[C@H]1[N@H+](CCCn2cc[nH+]c2C)CCCC1(C)C ZINC000444777111 1124062024 /nfs/dbraw/zinc/06/20/24/1124062024.db2.gz DMKSXTHTOSNMEI-MRXNPFEDSA-N 2 1 275.440 3.648 20 30 CHEDMP C=CC[C@H]1[N@@H+](CCCn2cc[nH+]c2C)CCCC1(C)C ZINC000444777111 1124062028 /nfs/dbraw/zinc/06/20/28/1124062028.db2.gz DMKSXTHTOSNMEI-MRXNPFEDSA-N 2 1 275.440 3.648 20 30 CHEDMP C=C(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000509638188 1124133856 /nfs/dbraw/zinc/13/38/56/1124133856.db2.gz CAIHDQFKHLZERZ-QGZVFWFLSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000448028881 1124559646 /nfs/dbraw/zinc/55/96/46/1124559646.db2.gz PGNOJQXTAUKCKU-HSALFYBXSA-N 2 1 298.474 3.843 20 30 CHEDMP C[NH+](C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000449082019 1124646699 /nfs/dbraw/zinc/64/66/99/1124646699.db2.gz JSRBXEQJWHURHT-ADKAHSJRSA-N 2 1 291.483 3.559 20 30 CHEDMP C=CC[C@@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000878150917 1125123324 /nfs/dbraw/zinc/12/33/24/1125123324.db2.gz QOPDNQIOFKBHGT-MRXNPFEDSA-N 2 1 287.451 3.585 20 30 CHEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244511 1125245325 /nfs/dbraw/zinc/24/53/25/1125245325.db2.gz XBCZYDXBETYOIB-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244511 1125245326 /nfs/dbraw/zinc/24/53/26/1125245326.db2.gz XBCZYDXBETYOIB-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244511 1125245327 /nfs/dbraw/zinc/24/53/27/1125245327.db2.gz XBCZYDXBETYOIB-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000883171657 1125375078 /nfs/dbraw/zinc/37/50/78/1125375078.db2.gz FBTWTEKKMFGSGA-MOPGFXCFSA-N 2 1 298.474 3.638 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@]2(C)CC)CC1 ZINC000651700460 1129744716 /nfs/dbraw/zinc/74/47/16/1129744716.db2.gz GCTHMXJQLJTMKP-SJORKVTESA-N 2 1 264.457 3.585 20 30 CHEDMP CCCCCCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000103455408 1129765166 /nfs/dbraw/zinc/76/51/66/1129765166.db2.gz CUXQGKMMZSZVMY-UHFFFAOYSA-N 2 1 254.462 3.811 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000381250650 1129836160 /nfs/dbraw/zinc/83/61/60/1129836160.db2.gz BTYNKLYUKGLAGU-CQSZACIVSA-N 2 1 286.444 3.507 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000381250650 1129836165 /nfs/dbraw/zinc/83/61/65/1129836165.db2.gz BTYNKLYUKGLAGU-CQSZACIVSA-N 2 1 286.444 3.507 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000793526202 1130563555 /nfs/dbraw/zinc/56/35/55/1130563555.db2.gz KXLSAOPFKPBECS-DLBZAZTESA-N 2 1 266.473 3.833 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033204 1130702245 /nfs/dbraw/zinc/70/22/45/1130702245.db2.gz UYDYWVRKGJXLFG-QGZVFWFLSA-N 2 1 264.457 3.589 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235337914 1130733612 /nfs/dbraw/zinc/73/36/12/1130733612.db2.gz LVIYXZCXGKABNR-QGZVFWFLSA-N 2 1 278.484 3.835 20 30 CHEDMP CCCCCCCCC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235393460 1130738623 /nfs/dbraw/zinc/73/86/23/1130738623.db2.gz AHEKSLZCTYKROB-JKSUJKDBSA-N 2 1 284.463 3.746 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402843 1130739641 /nfs/dbraw/zinc/73/96/41/1130739641.db2.gz JVXCBBUNSSTCLI-RKQNLGICSA-N 2 1 296.474 3.927 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402843 1130739644 /nfs/dbraw/zinc/73/96/44/1130739644.db2.gz JVXCBBUNSSTCLI-RKQNLGICSA-N 2 1 296.474 3.927 20 30 CHEDMP C=CCCCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373793 1130923421 /nfs/dbraw/zinc/92/34/21/1130923421.db2.gz LGLWDXXFSDIQGT-QGZVFWFLSA-N 2 1 278.484 3.977 20 30 CHEDMP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC001236434967 1130940809 /nfs/dbraw/zinc/94/08/09/1130940809.db2.gz ZNRQMMANCWUIHH-UHFFFAOYSA-N 2 1 270.420 3.611 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236820007 1131013600 /nfs/dbraw/zinc/01/36/00/1131013600.db2.gz PJSSABSYPOYFOD-CVHJSEFTSA-N 2 1 264.457 3.572 20 30 CHEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237886736 1131148740 /nfs/dbraw/zinc/14/87/40/1131148740.db2.gz QWASBXJYFPTDCZ-MRXNPFEDSA-N 2 1 294.442 3.533 20 30 CHEDMP CCCCCCCCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541938 1131582654 /nfs/dbraw/zinc/58/26/54/1131582654.db2.gz HTYXSJLVIWLHLZ-ZWKOTPCHSA-N 2 1 298.515 3.691 20 30 CHEDMP CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246659964 1131779755 /nfs/dbraw/zinc/77/97/55/1131779755.db2.gz NIMFRHZJFHATCY-YVSFHVDLSA-N 2 1 266.473 3.937 20 30 CHEDMP C=CCCCC[N@H+](C)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246869945 1131798192 /nfs/dbraw/zinc/79/81/92/1131798192.db2.gz JGXSNCCMFSXEJV-MUJYYYPQSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC001171339452 1131872866 /nfs/dbraw/zinc/87/28/66/1131872866.db2.gz MDPAJMUPZGRABO-RBUKOAKNSA-N 2 1 299.462 3.564 20 30 CHEDMP C=C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172110905 1132134669 /nfs/dbraw/zinc/13/46/69/1132134669.db2.gz RBDOPRSCWBFFNY-ZJPYXAASSA-N 2 1 270.420 3.519 20 30 CHEDMP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172478146 1132228381 /nfs/dbraw/zinc/22/83/81/1132228381.db2.gz BUJJXFBNZJTQGR-PKOBYXMFSA-N 2 1 299.462 3.571 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484707 1132230974 /nfs/dbraw/zinc/23/09/74/1132230974.db2.gz CBHDQZGEJSJALV-JFIYKMOQSA-N 2 1 291.483 3.973 20 30 CHEDMP C#Cc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001231659505 1132340062 /nfs/dbraw/zinc/34/00/62/1132340062.db2.gz NTOQQZMHVZAGQL-FQEVSTJZSA-N 2 1 296.458 3.508 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053406 1133650509 /nfs/dbraw/zinc/65/05/09/1133650509.db2.gz UVRNLDHWICZMMN-HZPDHXFCSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185610 1133777191 /nfs/dbraw/zinc/77/71/91/1133777191.db2.gz QOOXFGUZJCYPGQ-RDJZCZTQSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185610 1133777196 /nfs/dbraw/zinc/77/71/96/1133777196.db2.gz QOOXFGUZJCYPGQ-RDJZCZTQSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164326 1133982235 /nfs/dbraw/zinc/98/22/35/1133982235.db2.gz AWPRCYRMBUZWAF-PMACEKPBSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164326 1133982240 /nfs/dbraw/zinc/98/22/40/1133982240.db2.gz AWPRCYRMBUZWAF-PMACEKPBSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164326 1133982242 /nfs/dbraw/zinc/98/22/42/1133982242.db2.gz AWPRCYRMBUZWAF-PMACEKPBSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264858 1135215833 /nfs/dbraw/zinc/21/58/33/1135215833.db2.gz IVFLZIVKAYFJJN-QGZVFWFLSA-N 2 1 264.457 3.589 20 30 CHEDMP CC(C)(CCC#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174237712 261181844 /nfs/dbraw/zinc/18/18/44/261181844.db2.gz YINXXOFKZJXPMA-UHFFFAOYSA-N 2 1 299.462 3.571 20 30 CHEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365436333 262365188 /nfs/dbraw/zinc/36/51/88/262365188.db2.gz ZCEUBUNVSVUFDX-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000193435709 267376106 /nfs/dbraw/zinc/37/61/06/267376106.db2.gz OWMIFJXMKOPSIS-INIZCTEOSA-N 2 1 299.462 3.863 20 30 CHEDMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000193435709 267376107 /nfs/dbraw/zinc/37/61/07/267376107.db2.gz OWMIFJXMKOPSIS-INIZCTEOSA-N 2 1 299.462 3.863 20 30 CHEDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000193435709 267376112 /nfs/dbraw/zinc/37/61/12/267376112.db2.gz OWMIFJXMKOPSIS-INIZCTEOSA-N 2 1 299.462 3.863 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000152952400 327257170 /nfs/dbraw/zinc/25/71/70/327257170.db2.gz RQSMOGGZQPTHNN-IBGZPJMESA-N 2 1 284.447 3.612 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000153027441 327308747 /nfs/dbraw/zinc/30/87/47/327308747.db2.gz RKSDJCYAIFLFMR-AWEZNQCLSA-N 2 1 276.399 3.517 20 30 CHEDMP C=CCC[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000276421264 330113238 /nfs/dbraw/zinc/11/32/38/330113238.db2.gz HLTVTPUKSXSVMU-MRXNPFEDSA-N 2 1 274.408 3.503 20 30 CHEDMP C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953366 330294553 /nfs/dbraw/zinc/29/45/53/330294553.db2.gz WSFVRTXVRIQRLN-DNVCBOLYSA-N 2 1 297.446 3.616 20 30 CHEDMP C[C@@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953366 330294554 /nfs/dbraw/zinc/29/45/54/330294554.db2.gz WSFVRTXVRIQRLN-DNVCBOLYSA-N 2 1 297.446 3.616 20 30 CHEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449388453 330921442 /nfs/dbraw/zinc/92/14/42/330921442.db2.gz ZVGVLEOMXOUVHS-ADKAHSJRSA-N 2 1 291.483 3.559 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)C2CCC2)CC1 ZINC000453091304 331088306 /nfs/dbraw/zinc/08/83/06/331088306.db2.gz CHNOWQIVWOJVAY-QGZVFWFLSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127890822 333637342 /nfs/dbraw/zinc/63/73/42/333637342.db2.gz LRKDUYWDWBOICF-HNNXBMFYSA-N 2 1 290.426 3.559 20 30 CHEDMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299092 335152133 /nfs/dbraw/zinc/15/21/33/335152133.db2.gz PAXKZTXTPYQJOI-HZPDHXFCSA-N 2 1 293.499 3.662 20 30 CHEDMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299066 335152182 /nfs/dbraw/zinc/15/21/82/335152182.db2.gz PAXKZTXTPYQJOI-IYBDPMFKSA-N 2 1 293.499 3.662 20 30 CHEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299066 335152183 /nfs/dbraw/zinc/15/21/83/335152183.db2.gz PAXKZTXTPYQJOI-IYBDPMFKSA-N 2 1 293.499 3.662 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000544111900 333916504 /nfs/dbraw/zinc/91/65/04/333916504.db2.gz GYDZGDCNAAZTLE-DLBZAZTESA-N 2 1 278.484 3.833 20 30 CHEDMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000245825297 334220761 /nfs/dbraw/zinc/22/07/61/334220761.db2.gz ATYAPLZDLTXCLL-IXDOHACOSA-N 2 1 299.462 3.577 20 30 CHEDMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000245825297 334220762 /nfs/dbraw/zinc/22/07/62/334220762.db2.gz ATYAPLZDLTXCLL-IXDOHACOSA-N 2 1 299.462 3.577 20 30 CHEDMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000278673123 522827340 /nfs/dbraw/zinc/82/73/40/522827340.db2.gz JIPYJBAZZOLFBG-GOSISDBHSA-N 2 1 296.418 3.584 20 30 CHEDMP C=CC[C@H]1[N@H+](CC[C@@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794102 1124065954 /nfs/dbraw/zinc/06/59/54/1124065954.db2.gz UPWHZIXQQZQPMY-JKSUJKDBSA-N 2 1 264.457 3.537 20 30 CHEDMP C=CC[C@H]1[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCC1(C)C ZINC000444794102 1124065958 /nfs/dbraw/zinc/06/59/58/1124065958.db2.gz UPWHZIXQQZQPMY-JKSUJKDBSA-N 2 1 264.457 3.537 20 30 CHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248745119 1125674884 /nfs/dbraw/zinc/67/48/84/1125674884.db2.gz FLFUXNRGJRKBRA-VQIMIIECSA-N 2 1 299.462 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000152959553 1126757752 /nfs/dbraw/zinc/75/77/52/1126757752.db2.gz ISPUMBBCHNJYAM-IAGOWNOFSA-N 2 1 286.463 3.809 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236822523 1131013923 /nfs/dbraw/zinc/01/39/23/1131013923.db2.gz ZTHZCTPZHTWXFC-KSZLIROESA-N 2 1 278.484 3.962 20 30 CHEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602451014 1127577695 /nfs/dbraw/zinc/57/76/95/1127577695.db2.gz NKWHXDAKRXAFPE-SQNIBIBYSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000602451014 1127577696 /nfs/dbraw/zinc/57/76/96/1127577696.db2.gz NKWHXDAKRXAFPE-SQNIBIBYSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602451014 1127577699 /nfs/dbraw/zinc/57/76/99/1127577699.db2.gz NKWHXDAKRXAFPE-SQNIBIBYSA-N 2 1 291.483 3.513 20 30 CHEDMP CCC[NH+]1CCC([N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000409446494 1127768359 /nfs/dbraw/zinc/76/83/59/1127768359.db2.gz PUEDAFQIVICWFV-UHFFFAOYSA-N 2 1 279.472 3.513 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000924984927 1128118671 /nfs/dbraw/zinc/11/86/71/1128118671.db2.gz YSMAHQRQGAZJKW-HNNXBMFYSA-N 2 1 297.446 3.859 20 30 CHEDMP C#CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925161138 1128124134 /nfs/dbraw/zinc/12/41/34/1128124134.db2.gz ILAKGWIQEHUJBU-IHWFROFDSA-N 2 1 296.458 3.575 20 30 CHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929782508 1128286959 /nfs/dbraw/zinc/28/69/59/1128286959.db2.gz ZNQPPIJZBWMKRE-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929782508 1128286962 /nfs/dbraw/zinc/28/69/62/1128286962.db2.gz ZNQPPIJZBWMKRE-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186858 1128312805 /nfs/dbraw/zinc/31/28/05/1128312805.db2.gz OBPQXLRCMYMLCS-MSOLQXFVSA-N 2 1 278.484 3.835 20 30 CHEDMP CCCCCCCC[N@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663868 1128346345 /nfs/dbraw/zinc/34/63/45/1128346345.db2.gz MNHJJKQZRIWHCC-GJZGRUSLSA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCCC[N@@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663868 1128346348 /nfs/dbraw/zinc/34/63/48/1128346348.db2.gz MNHJJKQZRIWHCC-GJZGRUSLSA-N 2 1 290.442 3.770 20 30 CHEDMP C=CCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000567122113 1128558265 /nfs/dbraw/zinc/55/82/65/1128558265.db2.gz LWAVEVJFHNJZMO-CVEARBPZSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2C)CC1 ZINC000129490132 1128541573 /nfs/dbraw/zinc/54/15/73/1128541573.db2.gz LUUVPQMCHATYGN-UHFFFAOYSA-N 2 1 292.854 3.779 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364571 1128738548 /nfs/dbraw/zinc/73/85/48/1128738548.db2.gz YTDXLBPHVIDNIQ-ZIAGYGMSSA-N 2 1 292.389 3.725 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364571 1128738552 /nfs/dbraw/zinc/73/85/52/1128738552.db2.gz YTDXLBPHVIDNIQ-ZIAGYGMSSA-N 2 1 292.389 3.725 20 30 CHEDMP C[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668387 1118064131 /nfs/dbraw/zinc/06/41/31/1118064131.db2.gz NNQWAWRJRPOFMH-HOTGVXAUSA-N 2 1 291.483 3.559 20 30 CHEDMP C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668403 1118064194 /nfs/dbraw/zinc/06/41/94/1118064194.db2.gz NNQWAWRJRPOFMH-CVEARBPZSA-N 2 1 291.483 3.559 20 30 CHEDMP CCCCCCCCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209012 1118157597 /nfs/dbraw/zinc/15/75/97/1118157597.db2.gz HKLJRRSBUMZZIF-SFHVURJKSA-N 2 1 298.515 3.693 20 30 CHEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000178179310 1118710878 /nfs/dbraw/zinc/71/08/78/1118710878.db2.gz FLAJDIBYLWIVOA-OAHLLOKOSA-N 2 1 297.446 3.616 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000448028883 1118922025 /nfs/dbraw/zinc/92/20/25/1118922025.db2.gz PGNOJQXTAUKCKU-VAMGGRTRSA-N 2 1 298.474 3.843 20 30 CHEDMP CCCCCCCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226437010 1118927973 /nfs/dbraw/zinc/92/79/73/1118927973.db2.gz PRFDYTHYDIEVHA-MRXNPFEDSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001648920610 1119595356 /nfs/dbraw/zinc/59/53/56/1119595356.db2.gz DMEGHMQMHGYLDF-BBWFWOEESA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001648920610 1119595359 /nfs/dbraw/zinc/59/53/59/1119595359.db2.gz DMEGHMQMHGYLDF-BBWFWOEESA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001648920611 1119595594 /nfs/dbraw/zinc/59/55/94/1119595594.db2.gz DMEGHMQMHGYLDF-BRWVUGGUSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001648920611 1119595596 /nfs/dbraw/zinc/59/55/96/1119595596.db2.gz DMEGHMQMHGYLDF-BRWVUGGUSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000658029813 1119666929 /nfs/dbraw/zinc/66/69/29/1119666929.db2.gz AXKSAZRBAOJYQJ-RDJZCZTQSA-N 2 1 264.457 3.585 20 30 CHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000182045714 1128926501 /nfs/dbraw/zinc/92/65/01/1128926501.db2.gz RKUVWSGFKMCAHW-WMZOPIPTSA-N 2 1 299.462 3.577 20 30 CHEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363921 1121551496 /nfs/dbraw/zinc/55/14/96/1121551496.db2.gz CMFZAZLAPNQSOF-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363921 1121551500 /nfs/dbraw/zinc/55/15/00/1121551500.db2.gz CMFZAZLAPNQSOF-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363921 1121551503 /nfs/dbraw/zinc/55/15/03/1121551503.db2.gz CMFZAZLAPNQSOF-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000509363921 1121551507 /nfs/dbraw/zinc/55/15/07/1121551507.db2.gz CMFZAZLAPNQSOF-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP CC[N@@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307161 1121563336 /nfs/dbraw/zinc/56/33/36/1121563336.db2.gz MOEFDDUDVQRTGE-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307161 1121563341 /nfs/dbraw/zinc/56/33/41/1121563341.db2.gz MOEFDDUDVQRTGE-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307161 1121563345 /nfs/dbraw/zinc/56/33/45/1121563345.db2.gz MOEFDDUDVQRTGE-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307161 1121563351 /nfs/dbraw/zinc/56/33/51/1121563351.db2.gz MOEFDDUDVQRTGE-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000153017814 1129015904 /nfs/dbraw/zinc/01/59/04/1129015904.db2.gz QIFNBMULWIGGDD-IBGZPJMESA-N 2 1 284.447 3.612 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001201567265 1123125803 /nfs/dbraw/zinc/12/58/03/1123125803.db2.gz WGLOOZZIQASILD-SQNIBIBYSA-N 2 1 278.484 3.689 20 30 CHEDMP CCCCCCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001201787227 1123151556 /nfs/dbraw/zinc/15/15/56/1123151556.db2.gz AWRTYKWXXDDAKV-UHFFFAOYSA-N 2 1 296.499 3.532 20 30 CHEDMP CCCCCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001201840176 1123155303 /nfs/dbraw/zinc/15/53/03/1123155303.db2.gz NXXVXAHMOBINMZ-UHFFFAOYSA-N 2 1 266.473 3.765 20 30 CHEDMP C#C[C@](C)(CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021951 1123429264 /nfs/dbraw/zinc/42/92/64/1123429264.db2.gz RNFNKXSEEXNWFR-PIKOESSRSA-N 2 1 298.474 3.820 20 30 CHEDMP C#C[C@](C)(CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021951 1123429269 /nfs/dbraw/zinc/42/92/69/1123429269.db2.gz RNFNKXSEEXNWFR-PIKOESSRSA-N 2 1 298.474 3.820 20 30 CHEDMP C=CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000863542616 1123875266 /nfs/dbraw/zinc/87/52/66/1123875266.db2.gz QZLMTPKKXYHMBQ-IAGOWNOFSA-N 2 1 270.420 3.568 20 30 CHEDMP C=CC[C@H]1[NH+](CC[C@@H]2CCC[N@@H+]2C)CCCC1(C)C ZINC000444794102 1124065949 /nfs/dbraw/zinc/06/59/49/1124065949.db2.gz UPWHZIXQQZQPMY-JKSUJKDBSA-N 2 1 264.457 3.537 20 30 CHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449084830 1124643794 /nfs/dbraw/zinc/64/37/94/1124643794.db2.gz ZBNQVSHZAIRYBM-AOCRQIFASA-N 2 1 291.483 3.703 20 30 CHEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019544 1131274920 /nfs/dbraw/zinc/27/49/20/1131274920.db2.gz FVRXWRZBTFKHCQ-MSOLQXFVSA-N 2 1 298.515 3.549 20 30 CHEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246025058 1131275815 /nfs/dbraw/zinc/27/58/15/1131275815.db2.gz BSEVDENCDDFMED-ROUUACIJSA-N 2 1 298.515 3.562 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648445474 1125294266 /nfs/dbraw/zinc/29/42/66/1125294266.db2.gz MEFSYOKRWTUOMR-FQEVSTJZSA-N 2 1 298.474 3.564 20 30 CHEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000883171658 1125375146 /nfs/dbraw/zinc/37/51/46/1125375146.db2.gz FBTWTEKKMFGSGA-OALUTQOASA-N 2 1 298.474 3.638 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226968 1129295502 /nfs/dbraw/zinc/29/55/02/1129295502.db2.gz JKIWRQUXJKCLTN-IEBWSBKVSA-N 2 1 284.447 3.910 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226968 1129295505 /nfs/dbraw/zinc/29/55/05/1129295505.db2.gz JKIWRQUXJKCLTN-IEBWSBKVSA-N 2 1 284.447 3.910 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000103028035 1129684178 /nfs/dbraw/zinc/68/41/78/1129684178.db2.gz NQTULGVNJSFIGW-CVEARBPZSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246220518 1131408290 /nfs/dbraw/zinc/40/82/90/1131408290.db2.gz KXASAOHKCYODFK-HUUCEWRRSA-N 2 1 290.442 3.960 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000792232301 1130439306 /nfs/dbraw/zinc/43/93/06/1130439306.db2.gz OQMMAEWTTLVCBS-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000793526204 1130563800 /nfs/dbraw/zinc/56/38/00/1130563800.db2.gz KXLSAOPFKPBECS-IRXDYDNUSA-N 2 1 266.473 3.833 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235105373 1130712261 /nfs/dbraw/zinc/71/22/61/1130712261.db2.gz CJQJJRBPLOHAAM-CMDGGOBGSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235257193 1130730072 /nfs/dbraw/zinc/73/00/72/1130730072.db2.gz WRSKYMPSRNYTII-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235337188 1130734598 /nfs/dbraw/zinc/73/45/98/1130734598.db2.gz HCCIHTDLMUAWNS-INIZCTEOSA-N 2 1 266.473 3.668 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365721 1130737553 /nfs/dbraw/zinc/73/75/53/1130737553.db2.gz PCTLJKYBYUYGKT-UXHICEINSA-N 2 1 298.474 3.596 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424773 1130742452 /nfs/dbraw/zinc/74/24/52/1130742452.db2.gz JOPWJXVPJGZGLN-ZWKOTPCHSA-N 2 1 278.484 3.835 20 30 CHEDMP CCCCCCCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001235664326 1130763692 /nfs/dbraw/zinc/76/36/92/1130763692.db2.gz QYNNDWUVAXUDHW-INIZCTEOSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675427 1130766529 /nfs/dbraw/zinc/76/65/29/1130766529.db2.gz YAIMQNOAFGJVCK-MRXNPFEDSA-N 2 1 252.446 3.574 20 30 CHEDMP C=CCCCCCCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235715149 1130771541 /nfs/dbraw/zinc/77/15/41/1130771541.db2.gz PVQURIZPEOKMFC-UHFFFAOYSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCC[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236228513 1130897162 /nfs/dbraw/zinc/89/71/62/1130897162.db2.gz VRKCZGCEJDKFLT-UHFFFAOYSA-N 2 1 272.436 3.725 20 30 CHEDMP C=CCCCCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285783 1130910931 /nfs/dbraw/zinc/91/09/31/1130910931.db2.gz FZNIAZROIRONJT-UHFFFAOYSA-N 2 1 286.463 3.987 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314501 1130912508 /nfs/dbraw/zinc/91/25/08/1130912508.db2.gz PCFVHFFLQPDRBB-HDICACEKSA-N 2 1 278.484 3.835 20 30 CHEDMP C=CC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C(C)(C)C ZINC001236310404 1130912725 /nfs/dbraw/zinc/91/27/25/1130912725.db2.gz YJSMRWDXEBCHKD-UHFFFAOYSA-N 2 1 297.446 3.531 20 30 CHEDMP C#Cc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236572043 1130978848 /nfs/dbraw/zinc/97/88/48/1130978848.db2.gz RCAORHZDBIOIME-KESTWPANSA-N 2 1 296.458 3.682 20 30 CHEDMP C#Cc1ccc(C[N@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236790384 1131005742 /nfs/dbraw/zinc/00/57/42/1131005742.db2.gz GYNQPXFCGGRCFT-KESTWPANSA-N 2 1 298.474 3.928 20 30 CHEDMP C=CCCCC[N@H+](C)Cc1ccc(-n2ccnc2C)cc1 ZINC001138549927 1131520515 /nfs/dbraw/zinc/52/05/15/1131520515.db2.gz GHMDKAMEZKUAIO-UHFFFAOYSA-N 2 1 283.419 3.969 20 30 CHEDMP C=CCCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549927 1131520518 /nfs/dbraw/zinc/52/05/18/1131520518.db2.gz GHMDKAMEZKUAIO-UHFFFAOYSA-N 2 1 283.419 3.969 20 30 CHEDMP C=CCCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549927 1131520523 /nfs/dbraw/zinc/52/05/23/1131520523.db2.gz GHMDKAMEZKUAIO-UHFFFAOYSA-N 2 1 283.419 3.969 20 30 CHEDMP C#Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001144573910 1131661323 /nfs/dbraw/zinc/66/13/23/1131661323.db2.gz TUDHWLDXDLCOQX-FQEVSTJZSA-N 2 1 296.458 3.508 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223353 1131701443 /nfs/dbraw/zinc/70/14/43/1131701443.db2.gz PWOQLAAVNYMSPC-OKZBNKHCSA-N 2 1 296.499 3.565 20 30 CHEDMP CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598576 1131711887 /nfs/dbraw/zinc/71/18/87/1131711887.db2.gz BMOJLTKUABNWKN-HZPDHXFCSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246598576 1131711891 /nfs/dbraw/zinc/71/18/91/1131711891.db2.gz BMOJLTKUABNWKN-HZPDHXFCSA-N 2 1 252.446 3.563 20 30 CHEDMP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000834895122 1131720955 /nfs/dbraw/zinc/72/09/55/1131720955.db2.gz ZINFXVDHJDXRLR-IPQPSQTFSA-N 2 1 284.447 3.909 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247016793 1131842246 /nfs/dbraw/zinc/84/22/46/1131842246.db2.gz XWXBTPMKBDLDMJ-ULQDDVLXSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247016793 1131842250 /nfs/dbraw/zinc/84/22/50/1131842250.db2.gz XWXBTPMKBDLDMJ-ULQDDVLXSA-N 2 1 266.473 3.809 20 30 CHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC001171339451 1131872930 /nfs/dbraw/zinc/87/29/30/1131872930.db2.gz MDPAJMUPZGRABO-OALUTQOASA-N 2 1 299.462 3.564 20 30 CHEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982346 1132119755 /nfs/dbraw/zinc/11/97/55/1132119755.db2.gz HKLIYRWMOFVPTL-UYAOXDASSA-N 2 1 298.474 3.821 20 30 CHEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982346 1132119757 /nfs/dbraw/zinc/11/97/57/1132119757.db2.gz HKLIYRWMOFVPTL-UYAOXDASSA-N 2 1 298.474 3.821 20 30 CHEDMP CCCCCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172354699 1132183908 /nfs/dbraw/zinc/18/39/08/1132183908.db2.gz KFQBBXUKIACIQL-BBWFWOEESA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172354699 1132183909 /nfs/dbraw/zinc/18/39/09/1132183909.db2.gz KFQBBXUKIACIQL-BBWFWOEESA-N 2 1 266.473 3.619 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486568 1132230947 /nfs/dbraw/zinc/23/09/47/1132230947.db2.gz GFHGXPGLIMMDGJ-JYJNAYRXSA-N 2 1 279.472 3.687 20 30 CHEDMP C=C1CC=C(F)C=C1[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173107275 1132392987 /nfs/dbraw/zinc/39/29/87/1132392987.db2.gz MVCRYWURWHKFQT-UHFFFAOYSA-N 2 1 278.415 3.926 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205733972 1133606867 /nfs/dbraw/zinc/60/68/67/1133606867.db2.gz AJEUGRZWAAQVOH-HVHJFMEUSA-N 2 1 288.426 3.819 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205733972 1133606871 /nfs/dbraw/zinc/60/68/71/1133606871.db2.gz AJEUGRZWAAQVOH-HVHJFMEUSA-N 2 1 288.426 3.819 20 30 CHEDMP C=CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209201021 1133986777 /nfs/dbraw/zinc/98/67/77/1133986777.db2.gz TUDCUUFTDXWLTF-BGYRXZFFSA-N 2 1 298.474 3.715 20 30 CHEDMP C=CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209201021 1133986780 /nfs/dbraw/zinc/98/67/80/1133986780.db2.gz TUDCUUFTDXWLTF-BGYRXZFFSA-N 2 1 298.474 3.715 20 30 CHEDMP C=CCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209201021 1133986782 /nfs/dbraw/zinc/98/67/82/1133986782.db2.gz TUDCUUFTDXWLTF-BGYRXZFFSA-N 2 1 298.474 3.715 20 30 CHEDMP C=CCCCCCC[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001209438960 1134020507 /nfs/dbraw/zinc/02/05/07/1134020507.db2.gz ZJBQTLOCJJIPMK-KRWDZBQOSA-N 2 1 288.435 3.980 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141900 1135199818 /nfs/dbraw/zinc/19/98/18/1135199818.db2.gz SDQBASWZHZIJNF-SFHVURJKSA-N 2 1 278.484 3.979 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187823550 260060660 /nfs/dbraw/zinc/06/06/60/260060660.db2.gz LXPUUTZAQYZBOU-CQSZACIVSA-N 2 1 292.854 3.684 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000130508178 260396478 /nfs/dbraw/zinc/39/64/78/260396478.db2.gz QXMMCNUHMNSVFX-MRXNPFEDSA-N 2 1 272.436 3.595 20 30 CHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157266505 261142967 /nfs/dbraw/zinc/14/29/67/261142967.db2.gz HELJVMIVFKQXJN-APWZRJJASA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157266505 261142968 /nfs/dbraw/zinc/14/29/68/261142968.db2.gz HELJVMIVFKQXJN-APWZRJJASA-N 2 1 297.446 3.570 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453102522 263187961 /nfs/dbraw/zinc/18/79/61/263187961.db2.gz PTIFJJWWOXKSTI-GOSISDBHSA-N 2 1 276.468 3.585 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000160022198 264223525 /nfs/dbraw/zinc/22/35/25/264223525.db2.gz UWRLDMNKSHZJRK-JQHSSLGASA-N 2 1 272.436 3.766 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000160022198 264223529 /nfs/dbraw/zinc/22/35/29/264223529.db2.gz UWRLDMNKSHZJRK-JQHSSLGASA-N 2 1 272.436 3.766 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000369947519 267278139 /nfs/dbraw/zinc/27/81/39/267278139.db2.gz GYDHOOBNKBTHSC-LSTHTHJFSA-N 2 1 298.474 3.809 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000583941857 326804536 /nfs/dbraw/zinc/80/45/36/326804536.db2.gz OUTDFTMYXJLXPZ-OAHLLOKOSA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C(C)C)C(C)C)CC1 ZINC000560049872 327281049 /nfs/dbraw/zinc/28/10/49/327281049.db2.gz UMHRVIPMKCFOBL-UHFFFAOYSA-N 2 1 266.473 3.545 20 30 CHEDMP C=CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265770445 330063240 /nfs/dbraw/zinc/06/32/40/330063240.db2.gz IRVRBLKESTVQKU-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265770445 330063242 /nfs/dbraw/zinc/06/32/42/330063242.db2.gz IRVRBLKESTVQKU-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000265770445 330063243 /nfs/dbraw/zinc/06/32/43/330063243.db2.gz IRVRBLKESTVQKU-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000265770445 330063244 /nfs/dbraw/zinc/06/32/44/330063244.db2.gz IRVRBLKESTVQKU-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953368 330294667 /nfs/dbraw/zinc/29/46/67/330294667.db2.gz WSFVRTXVRIQRLN-KXBFYZLASA-N 2 1 297.446 3.616 20 30 CHEDMP C[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953368 330294668 /nfs/dbraw/zinc/29/46/68/330294668.db2.gz WSFVRTXVRIQRLN-KXBFYZLASA-N 2 1 297.446 3.616 20 30 CHEDMP C=CCC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000120196961 330386214 /nfs/dbraw/zinc/38/62/14/330386214.db2.gz CMBLAMXNRPRLOW-AEFFLSMTSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453309059 331114378 /nfs/dbraw/zinc/11/43/78/331114378.db2.gz OUROPTWKAYPACV-LDLYASANSA-N 2 1 298.474 3.984 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463246461 331344115 /nfs/dbraw/zinc/34/41/15/331344115.db2.gz CVJHTJMUTDONOL-NEWSRXKRSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463246461 331344116 /nfs/dbraw/zinc/34/41/16/331344116.db2.gz CVJHTJMUTDONOL-NEWSRXKRSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CCC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000513754675 333037733 /nfs/dbraw/zinc/03/77/33/333037733.db2.gz MNWFSWFBYZOMOT-KRWDZBQOSA-N 2 1 290.451 3.999 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174890 334239976 /nfs/dbraw/zinc/23/99/76/334239976.db2.gz HPMCYYFRWSKRNQ-QZTJIDSGSA-N 2 1 272.436 3.768 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174890 334239977 /nfs/dbraw/zinc/23/99/77/334239977.db2.gz HPMCYYFRWSKRNQ-QZTJIDSGSA-N 2 1 272.436 3.768 20 30 CHEDMP C=CCC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000576406001 335199770 /nfs/dbraw/zinc/19/97/70/335199770.db2.gz ICUUZWLOAIERCI-INIZCTEOSA-N 2 1 290.451 3.999 20 30 CHEDMP CCCCCCCC[C@H](CCC)[NH2+]C1(C[NH3+])CC1 ZINC001173309817 1132449466 /nfs/dbraw/zinc/44/94/66/1132449466.db2.gz LVRGGIBCHQFPFV-HNNXBMFYSA-N 2 1 254.462 3.987 20 30 CHEDMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000248756171 1125674440 /nfs/dbraw/zinc/67/44/40/1125674440.db2.gz GDZNIBWUCBHKQW-BHIYHBOVSA-N 2 1 299.462 3.569 20 30 CHEDMP C#CCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090398183 1125741687 /nfs/dbraw/zinc/74/16/87/1125741687.db2.gz JAPQAVRYMADJQB-OAHLLOKOSA-N 2 1 281.403 3.635 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242606 1127196709 /nfs/dbraw/zinc/19/67/09/1127196709.db2.gz SGGFTNKDTUHYIZ-FUHWJXTLSA-N 2 1 284.447 3.738 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242606 1127196710 /nfs/dbraw/zinc/19/67/10/1127196710.db2.gz SGGFTNKDTUHYIZ-FUHWJXTLSA-N 2 1 284.447 3.738 20 30 CHEDMP C=C(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000351758858 1127208488 /nfs/dbraw/zinc/20/84/88/1127208488.db2.gz KGQORDNHPQQHOB-CQSZACIVSA-N 2 1 269.392 3.798 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCC12CC[NH2+]CC2 ZINC000718694868 1127275372 /nfs/dbraw/zinc/27/53/72/1127275372.db2.gz XLZPBTBOPIQSFH-UHFFFAOYSA-N 2 1 266.473 3.955 20 30 CHEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602451012 1127578020 /nfs/dbraw/zinc/57/80/20/1127578020.db2.gz NKWHXDAKRXAFPE-KZNAEPCWSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000602451012 1127578022 /nfs/dbraw/zinc/57/80/22/1127578022.db2.gz NKWHXDAKRXAFPE-KZNAEPCWSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602451012 1127578024 /nfs/dbraw/zinc/57/80/24/1127578024.db2.gz NKWHXDAKRXAFPE-KZNAEPCWSA-N 2 1 291.483 3.513 20 30 CHEDMP C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]1CCCC[NH+]1C ZINC000409446533 1127768852 /nfs/dbraw/zinc/76/88/52/1127768852.db2.gz ZHJPLEFMTNCCBA-MRXNPFEDSA-N 2 1 279.472 3.513 20 30 CHEDMP C[NH+](CCCCC(C)(C)C#N)CC[C@H]1CCCC[N@@H+]1C ZINC000409446533 1127768856 /nfs/dbraw/zinc/76/88/56/1127768856.db2.gz ZHJPLEFMTNCCBA-MRXNPFEDSA-N 2 1 279.472 3.513 20 30 CHEDMP C[NH+](CCCCC(C)(C)C#N)CC[C@H]1CCCC[N@H+]1C ZINC000409446533 1127768858 /nfs/dbraw/zinc/76/88/58/1127768858.db2.gz ZHJPLEFMTNCCBA-MRXNPFEDSA-N 2 1 279.472 3.513 20 30 CHEDMP CN(CC[C@@H]1CCCC[N@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291044 1127852121 /nfs/dbraw/zinc/85/21/21/1127852121.db2.gz IKJPYAQJNKAREF-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCC1(C#N)CCCCC1 ZINC000411291044 1127852125 /nfs/dbraw/zinc/85/21/25/1127852125.db2.gz IKJPYAQJNKAREF-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCC1(C#N)CCCCC1 ZINC000411291044 1127852127 /nfs/dbraw/zinc/85/21/27/1127852127.db2.gz IKJPYAQJNKAREF-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291044 1127852129 /nfs/dbraw/zinc/85/21/29/1127852129.db2.gz IKJPYAQJNKAREF-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291044 1127852132 /nfs/dbraw/zinc/85/21/32/1127852132.db2.gz IKJPYAQJNKAREF-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000411478177 1127861354 /nfs/dbraw/zinc/86/13/54/1127861354.db2.gz ROFJZTRGDJYGBG-KGLIPLIRSA-N 2 1 282.391 3.524 20 30 CHEDMP CC[C@H](CC#N)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719918265 1127866860 /nfs/dbraw/zinc/86/68/60/1127866860.db2.gz RMYMJJNSXCZUOX-LJQANCHMSA-N 2 1 299.462 3.523 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000540147721 1127962677 /nfs/dbraw/zinc/96/26/77/1127962677.db2.gz PWPVSUASAPKXII-SJLPKXTDSA-N 2 1 278.484 3.689 20 30 CHEDMP C=CCCC[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000540338404 1127975735 /nfs/dbraw/zinc/97/57/35/1127975735.db2.gz RCTGCWRLIQACHF-MRXNPFEDSA-N 2 1 266.473 3.783 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545271817 1128008814 /nfs/dbraw/zinc/00/88/14/1128008814.db2.gz KMYRWSRXGSQKEC-QRQLOZEOSA-N 2 1 286.463 3.841 20 30 CHEDMP C=C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925254722 1128126737 /nfs/dbraw/zinc/12/67/37/1128126737.db2.gz ABUBFLCBOXPWMA-UXDRXVOSSA-N 2 1 284.447 3.736 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCCC)CC1 ZINC000152931756 1128157230 /nfs/dbraw/zinc/15/72/30/1128157230.db2.gz SZDOJOBBLVMZKM-HNNXBMFYSA-N 2 1 252.446 3.585 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235255206 1128316629 /nfs/dbraw/zinc/31/66/29/1128316629.db2.gz LPXOBLNEVTZXLV-ZWKOTPCHSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCCCCCC[N@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663874 1128345998 /nfs/dbraw/zinc/34/59/98/1128345998.db2.gz MNHJJKQZRIWHCC-LSDHHAIUSA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCCC[N@@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663874 1128346001 /nfs/dbraw/zinc/34/60/01/1128346001.db2.gz MNHJJKQZRIWHCC-LSDHHAIUSA-N 2 1 290.442 3.770 20 30 CHEDMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC000931068515 1128346938 /nfs/dbraw/zinc/34/69/38/1128346938.db2.gz DXATZKROKFDRRZ-UHFFFAOYSA-N 2 1 279.472 3.561 20 30 CHEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC000931068515 1128346941 /nfs/dbraw/zinc/34/69/41/1128346941.db2.gz DXATZKROKFDRRZ-UHFFFAOYSA-N 2 1 279.472 3.561 20 30 CHEDMP C#CCCCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748408 1128380422 /nfs/dbraw/zinc/38/04/22/1128380422.db2.gz LJFWZGBWNOEAAD-UHFFFAOYSA-N 2 1 287.451 3.790 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127891019 1128483990 /nfs/dbraw/zinc/48/39/90/1128483990.db2.gz LRKDUYWDWBOICF-OAHLLOKOSA-N 2 1 290.426 3.559 20 30 CHEDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000178179297 1118711201 /nfs/dbraw/zinc/71/12/01/1118711201.db2.gz FLAJDIBYLWIVOA-HNNXBMFYSA-N 2 1 297.446 3.616 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252915424 1119448995 /nfs/dbraw/zinc/44/89/95/1119448995.db2.gz SXQBKXSQYFHOFY-PMPSAXMXSA-N 2 1 254.462 3.665 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252915424 1119448999 /nfs/dbraw/zinc/44/89/99/1119448999.db2.gz SXQBKXSQYFHOFY-PMPSAXMXSA-N 2 1 254.462 3.665 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780515 1120979378 /nfs/dbraw/zinc/97/93/78/1120979378.db2.gz RREHZBZALPEEPD-SCTDSRPQSA-N 2 1 286.463 3.841 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709847852 1121370422 /nfs/dbraw/zinc/37/04/22/1121370422.db2.gz DCMOAVCAUOZOBQ-QGZVFWFLSA-N 2 1 266.473 3.813 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000152974062 1129014384 /nfs/dbraw/zinc/01/43/84/1129014384.db2.gz YKECMEJHAXGDKC-MRXNPFEDSA-N 2 1 264.457 3.751 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)[C@H](C)CCC)CC1 ZINC000153009282 1129016518 /nfs/dbraw/zinc/01/65/18/1129016518.db2.gz GPMCKBFYZTWABR-WBVHZDCISA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421327653 1122094197 /nfs/dbraw/zinc/09/41/97/1122094197.db2.gz QQTSIIKCZRKVNO-UHFFFAOYSA-N 2 1 276.468 3.729 20 30 CHEDMP C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001183065032 1122204269 /nfs/dbraw/zinc/20/42/69/1122204269.db2.gz DAWJOPAZOSPOLC-QZTJIDSGSA-N 2 1 278.484 3.622 20 30 CHEDMP C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001183065034 1122204927 /nfs/dbraw/zinc/20/49/27/1122204927.db2.gz DAWJOPAZOSPOLC-ZWKOTPCHSA-N 2 1 278.484 3.622 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(F)c2)CC1 ZINC000187977901 1123002242 /nfs/dbraw/zinc/00/22/42/1123002242.db2.gz INHHFZTWGWPZCF-SFHVURJKSA-N 2 1 290.426 3.907 20 30 CHEDMP CCCCCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001201798069 1123150451 /nfs/dbraw/zinc/15/04/51/1123150451.db2.gz NORBQBHBTGEXPY-UHFFFAOYSA-N 2 1 252.446 3.515 20 30 CHEDMP CCCCCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001201798069 1123150452 /nfs/dbraw/zinc/15/04/52/1123150452.db2.gz NORBQBHBTGEXPY-UHFFFAOYSA-N 2 1 252.446 3.515 20 30 CHEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019550 1131274356 /nfs/dbraw/zinc/27/43/56/1131274356.db2.gz FVRXWRZBTFKHCQ-ZWKOTPCHSA-N 2 1 298.515 3.549 20 30 CHEDMP C#CCCCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188487 1125018163 /nfs/dbraw/zinc/01/81/63/1125018163.db2.gz COLAGRJQWKRZJD-ZWKOTPCHSA-N 2 1 290.495 3.813 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246176606 1131376468 /nfs/dbraw/zinc/37/64/68/1131376468.db2.gz LZYAYIZZXKTSMC-JKSUJKDBSA-N 2 1 272.452 3.807 20 30 CHEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344369 1129571639 /nfs/dbraw/zinc/57/16/39/1129571639.db2.gz PEXGILXVWQFKQZ-QYZOEREBSA-N 2 1 286.463 3.666 20 30 CHEDMP CCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169097530 1129696955 /nfs/dbraw/zinc/69/69/55/1129696955.db2.gz BAJDFUOOEZHMBR-MUJYYYPQSA-N 2 1 252.446 3.562 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991022 1130699798 /nfs/dbraw/zinc/69/97/98/1130699798.db2.gz FPBSNGCTRCMFSV-QGZVFWFLSA-N 2 1 266.473 3.813 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995208 1130701397 /nfs/dbraw/zinc/70/13/97/1130701397.db2.gz YYDRWXZCIJHPRZ-KRWDZBQOSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235090920 1130710867 /nfs/dbraw/zinc/71/08/67/1130710867.db2.gz UAGLQJFPPSALKZ-HNNXBMFYSA-N 2 1 288.426 3.668 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405493 1130739350 /nfs/dbraw/zinc/73/93/50/1130739350.db2.gz PHXARJHFUITYAC-IRXDYDNUSA-N 2 1 284.463 3.761 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429803 1130743773 /nfs/dbraw/zinc/74/37/73/1130743773.db2.gz ZWAATVYUDDITOS-IRXDYDNUSA-N 2 1 266.473 3.668 20 30 CHEDMP C=CCCCCCCCC[N@H+](C)C1CC[NH2+]CC1 ZINC001235472847 1130748368 /nfs/dbraw/zinc/74/83/68/1130748368.db2.gz KSPBLOPAQRFNDQ-UHFFFAOYSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435759 1130941301 /nfs/dbraw/zinc/94/13/01/1130941301.db2.gz VNGDWXOWPSGFAG-INIZCTEOSA-N 2 1 270.436 3.666 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435759 1130941303 /nfs/dbraw/zinc/94/13/03/1130941303.db2.gz VNGDWXOWPSGFAG-INIZCTEOSA-N 2 1 270.436 3.666 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000815652203 1131017928 /nfs/dbraw/zinc/01/79/28/1131017928.db2.gz UGACTMNBBDVOLW-HNNXBMFYSA-N 2 1 298.405 3.585 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000815652203 1131017935 /nfs/dbraw/zinc/01/79/35/1131017935.db2.gz UGACTMNBBDVOLW-HNNXBMFYSA-N 2 1 298.405 3.585 20 30 CHEDMP C=CCCCCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275344 1131076966 /nfs/dbraw/zinc/07/69/66/1131076966.db2.gz MCTKKEBONDKZFE-UHFFFAOYSA-N 2 1 298.474 3.870 20 30 CHEDMP CCCCCCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001116202328 1131134634 /nfs/dbraw/zinc/13/46/34/1131134634.db2.gz IKGPBVHLSGOASQ-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000823676653 1131438280 /nfs/dbraw/zinc/43/82/80/1131438280.db2.gz HAINIJVXBIRIBD-OAHLLOKOSA-N 2 1 298.434 3.800 20 30 CHEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543837 1131589816 /nfs/dbraw/zinc/58/98/16/1131589816.db2.gz OECCEYAVAUQUHB-MSOLQXFVSA-N 2 1 298.515 3.691 20 30 CHEDMP C#Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001144576531 1131662152 /nfs/dbraw/zinc/66/21/52/1131662152.db2.gz MJFQKNWDWNQZKR-PMACEKPBSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001144576531 1131662155 /nfs/dbraw/zinc/66/21/55/1131662155.db2.gz MJFQKNWDWNQZKR-PMACEKPBSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001144576531 1131662156 /nfs/dbraw/zinc/66/21/56/1131662156.db2.gz MJFQKNWDWNQZKR-PMACEKPBSA-N 2 1 296.458 3.507 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846223354 1131701386 /nfs/dbraw/zinc/70/13/86/1131701386.db2.gz PWOQLAAVNYMSPC-RCCFBDPRSA-N 2 1 296.499 3.565 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246631676 1131742988 /nfs/dbraw/zinc/74/29/88/1131742988.db2.gz SLCLEHFBCFRUTQ-SJORKVTESA-N 2 1 266.473 3.811 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947365 1131827831 /nfs/dbraw/zinc/82/78/31/1131827831.db2.gz WXPWNODQDSFLAD-JKSUJKDBSA-N 2 1 272.452 3.888 20 30 CHEDMP C#CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000773114942 1131947484 /nfs/dbraw/zinc/94/74/84/1131947484.db2.gz KZNUZZADDIBMBM-SFHVURJKSA-N 2 1 284.447 3.604 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716652861 1132029269 /nfs/dbraw/zinc/02/92/69/1132029269.db2.gz UPOIKBJDAGGSTF-OTWHNJEPSA-N 2 1 284.447 3.595 20 30 CHEDMP CCC(CC)[N@@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488699 1132245994 /nfs/dbraw/zinc/24/59/94/1132245994.db2.gz VTJOXTDHDIZAJL-ZOBUZTSGSA-N 2 1 279.472 3.829 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156994 1133665228 /nfs/dbraw/zinc/66/52/28/1133665228.db2.gz VKQPDGDKOOOWJM-HOTGVXAUSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156994 1133665231 /nfs/dbraw/zinc/66/52/31/1133665231.db2.gz VKQPDGDKOOOWJM-HOTGVXAUSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156996 1133665241 /nfs/dbraw/zinc/66/52/41/1133665241.db2.gz VKQPDGDKOOOWJM-JKSUJKDBSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156996 1133665242 /nfs/dbraw/zinc/66/52/42/1133665242.db2.gz VKQPDGDKOOOWJM-JKSUJKDBSA-N 2 1 270.436 3.664 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)CCC[NH+](C)C)CC1 ZINC001208178078 1133898061 /nfs/dbraw/zinc/89/80/61/1133898061.db2.gz JROAHGGCEQAFDZ-QGZVFWFLSA-N 2 1 264.457 3.563 20 30 CHEDMP C=CC[N@H+](CC1CC[NH+](CC)CC1)C1CCCCC1 ZINC001208602349 1133918232 /nfs/dbraw/zinc/91/82/32/1133918232.db2.gz CPXHIJLGNDNQQU-UHFFFAOYSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CC[NH+](CC=C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940663 1133965059 /nfs/dbraw/zinc/96/50/59/1133965059.db2.gz UWILQMYSWPCMRT-IBGZPJMESA-N 2 1 284.447 3.573 20 30 CHEDMP C=CC[NH+](CC=C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940663 1133965062 /nfs/dbraw/zinc/96/50/62/1133965062.db2.gz UWILQMYSWPCMRT-IBGZPJMESA-N 2 1 284.447 3.573 20 30 CHEDMP C=C(C)C[N@H+](CC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941103 1133967015 /nfs/dbraw/zinc/96/70/15/1133967015.db2.gz XEGIJFWJSQUFBZ-LJQANCHMSA-N 2 1 286.463 3.797 20 30 CHEDMP C=C(C)C[N@@H+](CC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941103 1133967021 /nfs/dbraw/zinc/96/70/21/1133967021.db2.gz XEGIJFWJSQUFBZ-LJQANCHMSA-N 2 1 286.463 3.797 20 30 CHEDMP C=C(C)C[NH+](CC)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941103 1133967027 /nfs/dbraw/zinc/96/70/27/1133967027.db2.gz XEGIJFWJSQUFBZ-LJQANCHMSA-N 2 1 286.463 3.797 20 30 CHEDMP C=C(C)C[NH+](CC)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941103 1133967031 /nfs/dbraw/zinc/96/70/31/1133967031.db2.gz XEGIJFWJSQUFBZ-LJQANCHMSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209163695 1133982730 /nfs/dbraw/zinc/98/27/30/1133982730.db2.gz HQCZHWQKZHCKID-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209163695 1133982735 /nfs/dbraw/zinc/98/27/35/1133982735.db2.gz HQCZHWQKZHCKID-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209163695 1133982738 /nfs/dbraw/zinc/98/27/38/1133982738.db2.gz HQCZHWQKZHCKID-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209427185 1134016149 /nfs/dbraw/zinc/01/61/49/1134016149.db2.gz JBQJGRACEYIFBZ-BGYRXZFFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209427185 1134016157 /nfs/dbraw/zinc/01/61/57/1134016157.db2.gz JBQJGRACEYIFBZ-BGYRXZFFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209427185 1134016164 /nfs/dbraw/zinc/01/61/64/1134016164.db2.gz JBQJGRACEYIFBZ-BGYRXZFFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000574005331 334984446 /nfs/dbraw/zinc/98/44/46/334984446.db2.gz IFXIUGCZFZGMAY-DOTOQJQBSA-N 2 1 276.468 3.609 20 30 CHEDMP C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571218258 328092717 /nfs/dbraw/zinc/09/27/17/328092717.db2.gz XHJDRKXUSPEWQI-UHFFFAOYSA-N 2 1 292.426 3.521 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000237566551 327334552 /nfs/dbraw/zinc/33/45/52/327334552.db2.gz YVTPXGRHNWSRRM-RDJZCZTQSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000582610477 329116410 /nfs/dbraw/zinc/11/64/10/329116410.db2.gz XRXDXZWPYSQNIL-MRXNPFEDSA-N 2 1 292.492 3.776 20 30 CHEDMP C=CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000582610477 329116411 /nfs/dbraw/zinc/11/64/11/329116411.db2.gz XRXDXZWPYSQNIL-MRXNPFEDSA-N 2 1 292.492 3.776 20 30 CHEDMP C=CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000582610477 329116413 /nfs/dbraw/zinc/11/64/13/329116413.db2.gz XRXDXZWPYSQNIL-MRXNPFEDSA-N 2 1 292.492 3.776 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583024072 329299348 /nfs/dbraw/zinc/29/93/48/329299348.db2.gz GDNALNYIRSUAFB-SFHVURJKSA-N 2 1 284.447 3.739 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583024072 329299349 /nfs/dbraw/zinc/29/93/49/329299349.db2.gz GDNALNYIRSUAFB-SFHVURJKSA-N 2 1 284.447 3.739 20 30 CHEDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423270074 330190689 /nfs/dbraw/zinc/19/06/89/330190689.db2.gz WMBQUPHOHJKSJN-ZWKOTPCHSA-N 2 1 285.435 3.507 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000564144814 330373440 /nfs/dbraw/zinc/37/34/40/330373440.db2.gz VVRUOLPSUWVNFH-HNAYVOBHSA-N 2 1 284.447 3.865 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453309044 331114342 /nfs/dbraw/zinc/11/43/42/331114342.db2.gz ORJPKQFQKIPWLT-WMZOPIPTSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453309044 331114343 /nfs/dbraw/zinc/11/43/43/331114343.db2.gz ORJPKQFQKIPWLT-WMZOPIPTSA-N 2 1 286.463 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000491038351 332141307 /nfs/dbraw/zinc/14/13/07/332141307.db2.gz PKJDUEDCASQFML-JXFKEZNVSA-N 2 1 298.474 3.858 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000517436281 333099448 /nfs/dbraw/zinc/09/94/48/333099448.db2.gz QGULLEQSNRRLIF-UHFFFAOYSA-N 2 1 278.484 3.977 20 30 CHEDMP CC(C)[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCC(C)CC1 ZINC000174266442 335151644 /nfs/dbraw/zinc/15/16/44/335151644.db2.gz YCSXVKFCTKCRGM-KRWDZBQOSA-N 2 1 293.499 3.662 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000138358994 334209636 /nfs/dbraw/zinc/20/96/36/334209636.db2.gz HSKXQIUMMRBEQO-UHFFFAOYSA-N 2 1 286.463 3.593 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000245896688 334223111 /nfs/dbraw/zinc/22/31/11/334223111.db2.gz NEWIUGVUFIALQE-IAGOWNOFSA-N 2 1 299.462 3.863 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550796066 334228945 /nfs/dbraw/zinc/22/89/45/334228945.db2.gz SRAQZAHPQDKUHH-BZSNNMDCSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550796066 334228946 /nfs/dbraw/zinc/22/89/46/334228946.db2.gz SRAQZAHPQDKUHH-BZSNNMDCSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551174891 334240017 /nfs/dbraw/zinc/24/00/17/334240017.db2.gz HPMCYYFRWSKRNQ-ROUUACIJSA-N 2 1 272.436 3.768 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551174891 334240018 /nfs/dbraw/zinc/24/00/18/334240018.db2.gz HPMCYYFRWSKRNQ-ROUUACIJSA-N 2 1 272.436 3.768 20 30 CHEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248782292 334317292 /nfs/dbraw/zinc/31/72/92/334317292.db2.gz IAWMDQLNEDZWFG-IKGGRYGDSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248782292 334317293 /nfs/dbraw/zinc/31/72/93/334317293.db2.gz IAWMDQLNEDZWFG-IKGGRYGDSA-N 2 1 291.483 3.559 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000576406003 335199940 /nfs/dbraw/zinc/19/99/40/335199940.db2.gz ICUUZWLOAIERCI-MRXNPFEDSA-N 2 1 290.451 3.999 20 30 CHEDMP C=CCCCCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000187694836 1117851289 /nfs/dbraw/zinc/85/12/89/1117851289.db2.gz KQNPEHBZCOKKBK-UHFFFAOYSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000439077102 1122750934 /nfs/dbraw/zinc/75/09/34/1122750934.db2.gz KGRAYIZUUGCNKO-QGZVFWFLSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000439077102 1122750938 /nfs/dbraw/zinc/75/09/38/1122750938.db2.gz KGRAYIZUUGCNKO-QGZVFWFLSA-N 2 1 264.457 3.585 20 30 CHEDMP CCCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668310 1131778961 /nfs/dbraw/zinc/77/89/61/1131778961.db2.gz XPXCSRNGMWADNI-BBWFWOEESA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246668310 1131778966 /nfs/dbraw/zinc/77/89/66/1131778966.db2.gz XPXCSRNGMWADNI-BBWFWOEESA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016790 1131842698 /nfs/dbraw/zinc/84/26/98/1131842698.db2.gz XWXBTPMKBDLDMJ-BBWFWOEESA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016790 1131842702 /nfs/dbraw/zinc/84/27/02/1131842702.db2.gz XWXBTPMKBDLDMJ-BBWFWOEESA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]CCn1cc[nH+]c1C ZINC001172347840 1132181708 /nfs/dbraw/zinc/18/17/08/1132181708.db2.gz ZRCZXLWTVZIWBG-MRXNPFEDSA-N 2 1 265.445 3.920 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](C)C1CC[NH2+]CC1 ZINC001235473180 1130748628 /nfs/dbraw/zinc/74/86/28/1130748628.db2.gz MQRIIDVLPDQCFO-MDZDMXLPSA-N 2 1 252.446 3.587 20 30 CHEDMP C=C[C@@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@H]1C=C ZINC000489437274 1127104046 /nfs/dbraw/zinc/10/40/46/1127104046.db2.gz NUOKIHNIAUYHJE-AQRBRUGDSA-N 2 1 274.452 3.624 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286742284 1127273027 /nfs/dbraw/zinc/27/30/27/1127273027.db2.gz YGACLVILHQUQQE-UHFFFAOYSA-N 2 1 284.403 3.563 20 30 CHEDMP CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000593660985 1127393783 /nfs/dbraw/zinc/39/37/83/1127393783.db2.gz VEXRWUFWBQVOCR-DLBZAZTESA-N 2 1 291.483 3.703 20 30 CHEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000602459959 1127582198 /nfs/dbraw/zinc/58/21/98/1127582198.db2.gz PHVDYVLBWKTULX-MSOLQXFVSA-N 2 1 291.483 3.514 20 30 CHEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000602553888 1127592321 /nfs/dbraw/zinc/59/23/21/1127592321.db2.gz XNADGYBTCAQNPL-SJORKVTESA-N 2 1 299.462 3.741 20 30 CHEDMP CC[N@@H+](CCC[NH2+]C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602699235 1127605701 /nfs/dbraw/zinc/60/57/01/1127605701.db2.gz OCCDHZNUTUPOIX-INIZCTEOSA-N 2 1 279.472 3.561 20 30 CHEDMP C=CCCC[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000540338402 1127976185 /nfs/dbraw/zinc/97/61/85/1127976185.db2.gz RCTGCWRLIQACHF-INIZCTEOSA-N 2 1 266.473 3.783 20 30 CHEDMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000925185535 1128124932 /nfs/dbraw/zinc/12/49/32/1128124932.db2.gz MJYCLAPRHBWRPL-MRXNPFEDSA-N 2 1 299.462 3.719 20 30 CHEDMP CCCCCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235172361 1128311650 /nfs/dbraw/zinc/31/16/50/1128311650.db2.gz MATRZARJJNZMJS-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131297849 1128613354 /nfs/dbraw/zinc/61/33/54/1128613354.db2.gz OVQWYPNYDDFUJY-QUCCMNQESA-N 2 1 298.474 3.953 20 30 CHEDMP C=C(Cl)CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683496 1117925964 /nfs/dbraw/zinc/92/59/64/1117925964.db2.gz LVFBLJKSVVSJEW-INIZCTEOSA-N 2 1 290.838 3.526 20 30 CHEDMP C=C(Cl)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842683496 1117925965 /nfs/dbraw/zinc/92/59/65/1117925965.db2.gz LVFBLJKSVVSJEW-INIZCTEOSA-N 2 1 290.838 3.526 20 30 CHEDMP CCCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000115089828 1117939379 /nfs/dbraw/zinc/93/93/79/1117939379.db2.gz LUBVGUPADJBYRI-ALOPSCKCSA-N 2 1 266.473 3.952 20 30 CHEDMP C=CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209160226 1118005494 /nfs/dbraw/zinc/00/54/94/1118005494.db2.gz KFDOGIPHOMHZDA-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=CCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000542666302 1118213624 /nfs/dbraw/zinc/21/36/24/1118213624.db2.gz XHAKNGPFQCUWIF-INIZCTEOSA-N 2 1 274.452 3.971 20 30 CHEDMP C=CCC[NH+](C)Cc1ccccc1C[N@@H+](C)CCC=C ZINC000342722565 1119142197 /nfs/dbraw/zinc/14/21/97/1119142197.db2.gz NWNKXSYRNUBZBK-UHFFFAOYSA-N 2 1 272.436 3.702 20 30 CHEDMP C=CC[N@H+](CCCn1ccnc1C)CC1CCCCC1 ZINC000342863670 1119216872 /nfs/dbraw/zinc/21/68/72/1119216872.db2.gz ILBXHWRQVZMMDM-UHFFFAOYSA-N 2 1 275.440 3.650 20 30 CHEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)CC1CCCCC1 ZINC000342863670 1119216874 /nfs/dbraw/zinc/21/68/74/1119216874.db2.gz ILBXHWRQVZMMDM-UHFFFAOYSA-N 2 1 275.440 3.650 20 30 CHEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)CC1CCCCC1 ZINC000342863670 1119216877 /nfs/dbraw/zinc/21/68/77/1119216877.db2.gz ILBXHWRQVZMMDM-UHFFFAOYSA-N 2 1 275.440 3.650 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986669 1119285827 /nfs/dbraw/zinc/28/58/27/1119285827.db2.gz IBTXKSAOEAQJHJ-CVEARBPZSA-N 2 1 254.462 3.654 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163473580 1119580690 /nfs/dbraw/zinc/58/06/90/1119580690.db2.gz PUTRZXBMIWDHSK-HRCADAONSA-N 2 1 254.462 3.652 20 30 CHEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000657876680 1119590209 /nfs/dbraw/zinc/59/02/09/1119590209.db2.gz ZIKRJTYBTGQLIB-WMZOPIPTSA-N 2 1 276.468 3.751 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280167512 1119809323 /nfs/dbraw/zinc/80/93/23/1119809323.db2.gz SRDKGCSDSKHDRJ-AEFFLSMTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280167512 1119809328 /nfs/dbraw/zinc/80/93/28/1119809328.db2.gz SRDKGCSDSKHDRJ-AEFFLSMTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309711678 1120350166 /nfs/dbraw/zinc/35/01/66/1120350166.db2.gz JOUBCABGEWKIKP-HKUYNNGSSA-N 2 1 286.463 3.843 20 30 CHEDMP CCCCCCCC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179772138 1121906046 /nfs/dbraw/zinc/90/60/46/1121906046.db2.gz WVUWOXKWTLFSKP-SJORKVTESA-N 2 1 298.515 3.560 20 30 CHEDMP C=CCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696203 1122483440 /nfs/dbraw/zinc/48/34/40/1122483440.db2.gz UMYGNMYWSSVFJA-INIZCTEOSA-N 2 1 290.476 3.658 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205605283 1122656617 /nfs/dbraw/zinc/65/66/17/1122656617.db2.gz ZSHXCBBIDVFHEA-IRXDYDNUSA-N 2 1 266.473 3.820 20 30 CHEDMP CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965499 1122811600 /nfs/dbraw/zinc/81/16/00/1122811600.db2.gz IBHVISCMDWGKTF-AYHJJNSGSA-N 2 1 278.484 3.952 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280895561 1123664320 /nfs/dbraw/zinc/66/43/20/1123664320.db2.gz PJNILPYWNJCQBL-IBGZPJMESA-N 2 1 299.462 3.553 20 30 CHEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000301392505 1123897771 /nfs/dbraw/zinc/89/77/71/1123897771.db2.gz IDWDLHQBLJZZRC-UHFFFAOYSA-N 2 1 287.432 3.749 20 30 CHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000526941596 1124531070 /nfs/dbraw/zinc/53/10/70/1124531070.db2.gz DIZZBLZWBVZTRA-INIZCTEOSA-N 2 1 299.462 3.671 20 30 CHEDMP CCCCCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000741248709 1129432605 /nfs/dbraw/zinc/43/26/05/1129432605.db2.gz BEVMEXNDQNQVBY-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000741248709 1129432606 /nfs/dbraw/zinc/43/26/06/1129432606.db2.gz BEVMEXNDQNQVBY-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000741248709 1129432608 /nfs/dbraw/zinc/43/26/08/1129432608.db2.gz BEVMEXNDQNQVBY-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741790797 1129452918 /nfs/dbraw/zinc/45/29/18/1129452918.db2.gz LVZKXTHLBNEYHJ-HOTGVXAUSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741790797 1129452920 /nfs/dbraw/zinc/45/29/20/1129452920.db2.gz LVZKXTHLBNEYHJ-HOTGVXAUSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741790797 1129452921 /nfs/dbraw/zinc/45/29/21/1129452921.db2.gz LVZKXTHLBNEYHJ-HOTGVXAUSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741790797 1129452923 /nfs/dbraw/zinc/45/29/23/1129452923.db2.gz LVZKXTHLBNEYHJ-HOTGVXAUSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741790796 1129453370 /nfs/dbraw/zinc/45/33/70/1129453370.db2.gz LVZKXTHLBNEYHJ-CVEARBPZSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741790796 1129453372 /nfs/dbraw/zinc/45/33/72/1129453372.db2.gz LVZKXTHLBNEYHJ-CVEARBPZSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741790796 1129453373 /nfs/dbraw/zinc/45/33/73/1129453373.db2.gz LVZKXTHLBNEYHJ-CVEARBPZSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741790796 1129453375 /nfs/dbraw/zinc/45/33/75/1129453375.db2.gz LVZKXTHLBNEYHJ-CVEARBPZSA-N 2 1 254.462 3.761 20 30 CHEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343807 1129572290 /nfs/dbraw/zinc/57/22/90/1129572290.db2.gz CNELVDGTJULOPW-DKKFBQAASA-N 2 1 286.463 3.522 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140671 1129703926 /nfs/dbraw/zinc/70/39/26/1129703926.db2.gz LGOKOQDNYPLIFY-MUJYYYPQSA-N 2 1 252.446 3.514 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140671 1129703929 /nfs/dbraw/zinc/70/39/29/1129703929.db2.gz LGOKOQDNYPLIFY-MUJYYYPQSA-N 2 1 252.446 3.514 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140671 1129703931 /nfs/dbraw/zinc/70/39/31/1129703931.db2.gz LGOKOQDNYPLIFY-MUJYYYPQSA-N 2 1 252.446 3.514 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@]2(C)CC)CC1 ZINC000651700458 1129744455 /nfs/dbraw/zinc/74/44/55/1129744455.db2.gz GCTHMXJQLJTMKP-IAGOWNOFSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678769131 1130452012 /nfs/dbraw/zinc/45/20/12/1130452012.db2.gz LOYWLDJMIXBSDZ-JXFKEZNVSA-N 2 1 298.474 3.940 20 30 CHEDMP C=CCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001170206477 1130459185 /nfs/dbraw/zinc/45/91/85/1130459185.db2.gz VBOPAMDXQOZURH-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001170206477 1130459189 /nfs/dbraw/zinc/45/91/89/1130459189.db2.gz VBOPAMDXQOZURH-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)CC1 ZINC001235041307 1130705962 /nfs/dbraw/zinc/70/59/62/1130705962.db2.gz PCJQTTUDSGQXHL-RTBURBONSA-N 2 1 288.479 3.897 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)CC1 ZINC001235041307 1130705965 /nfs/dbraw/zinc/70/59/65/1130705965.db2.gz PCJQTTUDSGQXHL-RTBURBONSA-N 2 1 288.479 3.897 20 30 CHEDMP CCCCCCC[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235661921 1130762937 /nfs/dbraw/zinc/76/29/37/1130762937.db2.gz AJAQYWLNKIZRJA-UHFFFAOYSA-N 2 1 266.473 3.668 20 30 CHEDMP N#CCC[N@H+](Cc1cccc(C[NH3+])c1)C1CCCCCCC1 ZINC001235664846 1130764108 /nfs/dbraw/zinc/76/41/08/1130764108.db2.gz YIKNXVDPXVVHMZ-UHFFFAOYSA-N 2 1 299.462 3.974 20 30 CHEDMP C=CCC[N@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001235703051 1130772213 /nfs/dbraw/zinc/77/22/13/1130772213.db2.gz PJKFHJUIHYHNSP-UHFFFAOYSA-N 2 1 260.425 3.584 20 30 CHEDMP C=CCCCCCCCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950781 1130814763 /nfs/dbraw/zinc/81/47/63/1130814763.db2.gz MRCLUUJVLPTIRP-KRWDZBQOSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CC[N@H+](CCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC001235963092 1130818661 /nfs/dbraw/zinc/81/86/61/1130818661.db2.gz UEVUYPBAMBZTMS-UHFFFAOYSA-N 2 1 286.463 3.987 20 30 CHEDMP C=CC[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC001235963092 1130818670 /nfs/dbraw/zinc/81/86/70/1130818670.db2.gz UEVUYPBAMBZTMS-UHFFFAOYSA-N 2 1 286.463 3.987 20 30 CHEDMP C=CCCCC[N@H+](C)CCC[NH2+]C1CCCCC1 ZINC001236084949 1130853259 /nfs/dbraw/zinc/85/32/59/1130853259.db2.gz HOYBEDLTBSACSH-UHFFFAOYSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCCCCC[N@@H+](C)CC12CC([NH3+])(C1)C2 ZINC001236423652 1130937173 /nfs/dbraw/zinc/93/71/73/1130937173.db2.gz OUUQFJASLTXYMG-UHFFFAOYSA-N 2 1 266.473 3.940 20 30 CHEDMP C=CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC001236434969 1130941268 /nfs/dbraw/zinc/94/12/68/1130941268.db2.gz ZPDODBHHRXYHBZ-UHFFFAOYSA-N 2 1 290.476 3.715 20 30 CHEDMP CCC[N@H+](CCC#N)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237882649 1131148508 /nfs/dbraw/zinc/14/85/08/1131148508.db2.gz RQYVZCPTCOSXQD-UHFFFAOYSA-N 2 1 297.446 3.813 20 30 CHEDMP CCC[N@@H+](CCC#N)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237882649 1131148511 /nfs/dbraw/zinc/14/85/11/1131148511.db2.gz RQYVZCPTCOSXQD-UHFFFAOYSA-N 2 1 297.446 3.813 20 30 CHEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541933 1131582593 /nfs/dbraw/zinc/58/25/93/1131582593.db2.gz HTYXSJLVIWLHLZ-QZTJIDSGSA-N 2 1 298.515 3.691 20 30 CHEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543839 1131590897 /nfs/dbraw/zinc/59/08/97/1131590897.db2.gz OECCEYAVAUQUHB-QZTJIDSGSA-N 2 1 298.515 3.691 20 30 CHEDMP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938336 1131609666 /nfs/dbraw/zinc/60/96/66/1131609666.db2.gz GPVHSCHGCWDHJG-RNQOJCNYSA-N 2 1 298.474 3.666 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247016794 1131842145 /nfs/dbraw/zinc/84/21/45/1131842145.db2.gz XWXBTPMKBDLDMJ-YESZJQIVSA-N 2 1 266.473 3.809 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247016794 1131842150 /nfs/dbraw/zinc/84/21/50/1131842150.db2.gz XWXBTPMKBDLDMJ-YESZJQIVSA-N 2 1 266.473 3.809 20 30 CHEDMP C=CC[N@@H+](Cc1c[nH]c2ccncc12)C1CCCCC1 ZINC001140805377 1131929801 /nfs/dbraw/zinc/92/98/01/1131929801.db2.gz CLWMTRJOGZWKIA-UHFFFAOYSA-N 2 1 269.392 3.884 20 30 CHEDMP C=CC[N@H+](Cc1cnc2cc[nH]cc1-2)C1CCCCC1 ZINC001140805377 1131929808 /nfs/dbraw/zinc/92/98/08/1131929808.db2.gz CLWMTRJOGZWKIA-UHFFFAOYSA-N 2 1 269.392 3.884 20 30 CHEDMP C=CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCCCC1 ZINC001140805377 1131929819 /nfs/dbraw/zinc/92/98/19/1131929819.db2.gz CLWMTRJOGZWKIA-UHFFFAOYSA-N 2 1 269.392 3.884 20 30 CHEDMP C=CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCCCC1 ZINC001140805377 1131929825 /nfs/dbraw/zinc/92/98/25/1131929825.db2.gz CLWMTRJOGZWKIA-UHFFFAOYSA-N 2 1 269.392 3.884 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718473 1132030001 /nfs/dbraw/zinc/03/00/01/1132030001.db2.gz ONHYGIVJFIOLQE-WNHJNPCNSA-N 2 1 284.447 3.594 20 30 CHEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982344 1132120212 /nfs/dbraw/zinc/12/02/12/1132120212.db2.gz HKLIYRWMOFVPTL-QUCCMNQESA-N 2 1 298.474 3.821 20 30 CHEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982344 1132120215 /nfs/dbraw/zinc/12/02/15/1132120215.db2.gz HKLIYRWMOFVPTL-QUCCMNQESA-N 2 1 298.474 3.821 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]C1CC[NH+](C)CC1 ZINC001172351070 1132183174 /nfs/dbraw/zinc/18/31/74/1132183174.db2.gz CIQNNNFSILIHFI-OAHLLOKOSA-N 2 1 254.462 3.809 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000328104936 1132481230 /nfs/dbraw/zinc/48/12/30/1132481230.db2.gz MHDBPOGVUMVQID-RBUKOAKNSA-N 2 1 290.495 3.670 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000328104936 1132481234 /nfs/dbraw/zinc/48/12/34/1132481234.db2.gz MHDBPOGVUMVQID-RBUKOAKNSA-N 2 1 290.495 3.670 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545600 1133587094 /nfs/dbraw/zinc/58/70/94/1133587094.db2.gz JYZKHEMCZZBUEW-MRXNPFEDSA-N 2 1 270.436 3.666 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206258094 1133677894 /nfs/dbraw/zinc/67/78/94/1133677894.db2.gz RABUJOIHDGSNFS-SCOAYWHSSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206258094 1133677896 /nfs/dbraw/zinc/67/78/96/1133677896.db2.gz RABUJOIHDGSNFS-SCOAYWHSSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208107671 1133876294 /nfs/dbraw/zinc/87/62/94/1133876294.db2.gz XVTLFTKQXOGJCT-UHFFFAOYSA-N 2 1 254.462 3.621 20 30 CHEDMP C=CCCCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209443196 1134022398 /nfs/dbraw/zinc/02/23/98/1134022398.db2.gz OTIXBQBAUGMQPI-MSOLQXFVSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209443196 1134022406 /nfs/dbraw/zinc/02/24/06/1134022406.db2.gz OTIXBQBAUGMQPI-MSOLQXFVSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209443196 1134022411 /nfs/dbraw/zinc/02/24/11/1134022411.db2.gz OTIXBQBAUGMQPI-MSOLQXFVSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265458 1135216563 /nfs/dbraw/zinc/21/65/63/1135216563.db2.gz TYJGFTZAMUAIGK-SFHVURJKSA-N 2 1 278.484 3.979 20 30 CHEDMP C=CCCCCCC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292728 1135219306 /nfs/dbraw/zinc/21/93/06/1135219306.db2.gz JITKUCSLYVPYEE-UHFFFAOYSA-N 2 1 264.457 3.731 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000153027542 327307856 /nfs/dbraw/zinc/30/78/56/327307856.db2.gz RKSDJCYAIFLFMR-CQSZACIVSA-N 2 1 276.399 3.517 20 30 CHEDMP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000281690659 327606948 /nfs/dbraw/zinc/60/69/48/327606948.db2.gz SAJNVOJRCIDEGY-GOSISDBHSA-N 2 1 286.463 3.638 20 30 CHEDMP C=CCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183672933 329251761 /nfs/dbraw/zinc/25/17/61/329251761.db2.gz DGASSJBSFOVOAI-AWEZNQCLSA-N 2 1 269.392 3.798 20 30 CHEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000269409962 330069992 /nfs/dbraw/zinc/06/99/92/330069992.db2.gz IUQSWNANAPRWKH-IBGZPJMESA-N 2 1 284.447 3.910 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659000 330146198 /nfs/dbraw/zinc/14/61/98/330146198.db2.gz XZWZLMWQMCTDJI-FUHWJXTLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659000 330146200 /nfs/dbraw/zinc/14/62/00/330146200.db2.gz XZWZLMWQMCTDJI-FUHWJXTLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659002 330146248 /nfs/dbraw/zinc/14/62/48/330146248.db2.gz XZWZLMWQMCTDJI-WMZOPIPTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379659002 330146250 /nfs/dbraw/zinc/14/62/50/330146250.db2.gz XZWZLMWQMCTDJI-WMZOPIPTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379657605 330146813 /nfs/dbraw/zinc/14/68/13/330146813.db2.gz TZZRMCMIMCANCQ-SJLPKXTDSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379657605 330146811 /nfs/dbraw/zinc/14/68/11/330146811.db2.gz TZZRMCMIMCANCQ-SJLPKXTDSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000527733095 330278441 /nfs/dbraw/zinc/27/84/41/330278441.db2.gz CAFNILUPMILXGL-UHFFFAOYSA-N 2 1 286.463 3.843 20 30 CHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000119656533 330378168 /nfs/dbraw/zinc/37/81/68/330378168.db2.gz POTQSKYZACELRR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000119656533 330378169 /nfs/dbraw/zinc/37/81/69/330378169.db2.gz POTQSKYZACELRR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000119656533 330378170 /nfs/dbraw/zinc/37/81/70/330378170.db2.gz POTQSKYZACELRR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119656533 330378171 /nfs/dbraw/zinc/37/81/71/330378171.db2.gz POTQSKYZACELRR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119656533 330378172 /nfs/dbraw/zinc/37/81/72/330378172.db2.gz POTQSKYZACELRR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000193442292 333250220 /nfs/dbraw/zinc/25/02/20/333250220.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 2 1 276.468 3.682 20 30 CHEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000193442292 333250221 /nfs/dbraw/zinc/25/02/21/333250221.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 2 1 276.468 3.682 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000575907085 335129974 /nfs/dbraw/zinc/12/99/74/335129974.db2.gz XERREFROMFSTNY-UHFFFAOYSA-N 2 1 278.484 3.977 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000245842645 334221253 /nfs/dbraw/zinc/22/12/53/334221253.db2.gz DWPYRIXZAYGNAV-IAGOWNOFSA-N 2 1 299.462 3.863 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000552037741 334279620 /nfs/dbraw/zinc/27/96/20/334279620.db2.gz IDNLSTTXBSDGKO-DLBZAZTESA-N 2 1 290.451 3.999 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000552037742 334279704 /nfs/dbraw/zinc/27/97/04/334279704.db2.gz IDNLSTTXBSDGKO-IAGOWNOFSA-N 2 1 290.451 3.999 20 30 CHEDMP C=CCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249437275 334334020 /nfs/dbraw/zinc/33/40/20/334334020.db2.gz SKJPTEPPOXYESW-DZFIZOCASA-N 2 1 286.463 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)C[C@H](C)CC)CC1 ZINC000153016826 334541157 /nfs/dbraw/zinc/54/11/57/334541157.db2.gz JZQZCNNWUKJBBG-CVEARBPZSA-N 2 1 266.473 3.831 20 30 CHEDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000181846763 335788110 /nfs/dbraw/zinc/78/81/10/335788110.db2.gz MZFSITQIFDZCEE-MRXNPFEDSA-N 2 1 287.451 3.718 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001648920613 1119595549 /nfs/dbraw/zinc/59/55/49/1119595549.db2.gz DMEGHMQMHGYLDF-ZACQAIPSSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001648920613 1119595552 /nfs/dbraw/zinc/59/55/52/1119595552.db2.gz DMEGHMQMHGYLDF-ZACQAIPSSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308761 1120533525 /nfs/dbraw/zinc/53/35/25/1120533525.db2.gz MFEXIJXSZDMQJH-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=C(Cl)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000773737414 1121777933 /nfs/dbraw/zinc/77/79/33/1121777933.db2.gz SPFKACUXLNHTJI-UHFFFAOYSA-N 2 1 286.891 3.819 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981425 1133636984 /nfs/dbraw/zinc/63/69/84/1133636984.db2.gz CBMLAFSVKYJPMA-SJORKVTESA-N 2 1 266.473 3.820 20 30 CHEDMP C=CCCCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335263 1135227570 /nfs/dbraw/zinc/22/75/70/1135227570.db2.gz BXYGVQFICQAEOH-UHFFFAOYSA-N 2 1 264.457 3.589 20 30 CHEDMP C=CCCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886663242 1125705536 /nfs/dbraw/zinc/70/55/36/1125705536.db2.gz WOUKYILBATWZGG-UHFFFAOYSA-N 2 1 275.440 3.952 20 30 CHEDMP C=C(CC)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485495873 1126921254 /nfs/dbraw/zinc/92/12/54/1126921254.db2.gz SUMWBEQEOIMMLU-UHFFFAOYSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236065664 1130845617 /nfs/dbraw/zinc/84/56/17/1130845617.db2.gz CGEOCDMPRWYRJA-KRWDZBQOSA-N 2 1 266.473 3.835 20 30 CHEDMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000269137072 1127035533 /nfs/dbraw/zinc/03/55/33/1127035533.db2.gz UIBLXWDCWOQYOT-OAHLLOKOSA-N 2 1 296.418 3.536 20 30 CHEDMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000269137072 1127035536 /nfs/dbraw/zinc/03/55/36/1127035536.db2.gz UIBLXWDCWOQYOT-OAHLLOKOSA-N 2 1 296.418 3.536 20 30 CHEDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360831514 1127513445 /nfs/dbraw/zinc/51/34/45/1127513445.db2.gz FLAYOCDLTRVRNI-IBGZPJMESA-N 2 1 299.462 3.646 20 30 CHEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000602553882 1127592209 /nfs/dbraw/zinc/59/22/09/1127592209.db2.gz XNADGYBTCAQNPL-IAGOWNOFSA-N 2 1 299.462 3.741 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000605186656 1127731351 /nfs/dbraw/zinc/73/13/51/1127731351.db2.gz AJQWGLPVYRVCAG-QGZVFWFLSA-N 2 1 264.457 3.541 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779754 1128287520 /nfs/dbraw/zinc/28/75/20/1128287520.db2.gz IJTQFSTXHDRZSE-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779754 1128287522 /nfs/dbraw/zinc/28/75/22/1128287522.db2.gz IJTQFSTXHDRZSE-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779754 1128287524 /nfs/dbraw/zinc/28/75/24/1128287524.db2.gz IJTQFSTXHDRZSE-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP C=CCCCCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152273 1128305638 /nfs/dbraw/zinc/30/56/38/1128305638.db2.gz LUYJSCNAIBXSMU-GOSISDBHSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCC[N@@H+](CCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032718 1128344765 /nfs/dbraw/zinc/34/47/65/1128344765.db2.gz MJESTTSJQACNCB-UHFFFAOYSA-N 2 1 279.472 3.701 20 30 CHEDMP CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000131477819 1128622729 /nfs/dbraw/zinc/62/27/29/1128622729.db2.gz HPYDWPPTJNKMMU-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP CC(C)(C#N)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000131477819 1128622730 /nfs/dbraw/zinc/62/27/30/1128622730.db2.gz HPYDWPPTJNKMMU-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246980726 1118049806 /nfs/dbraw/zinc/04/98/06/1118049806.db2.gz HELJVMIVFKQXJN-VQIMIIECSA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246980726 1118049811 /nfs/dbraw/zinc/04/98/11/1118049811.db2.gz HELJVMIVFKQXJN-VQIMIIECSA-N 2 1 297.446 3.570 20 30 CHEDMP C=CCC[NH+](C)Cc1cccc(C[N@@H+](C)CCC=C)c1 ZINC000342731799 1119147803 /nfs/dbraw/zinc/14/78/03/1119147803.db2.gz BVMRBFRQHGUTOQ-UHFFFAOYSA-N 2 1 272.436 3.702 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000657868645 1119572853 /nfs/dbraw/zinc/57/28/53/1119572853.db2.gz CHUQWCRAEKVZGW-USXIJHARSA-N 2 1 275.440 3.552 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000657876679 1119590105 /nfs/dbraw/zinc/59/01/05/1119590105.db2.gz ZIKRJTYBTGQLIB-SJLPKXTDSA-N 2 1 276.468 3.751 20 30 CHEDMP C=CCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000658096346 1119682011 /nfs/dbraw/zinc/68/20/11/1119682011.db2.gz DWBNIDGILRRQTE-CVEARBPZSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545271819 1119833264 /nfs/dbraw/zinc/83/32/64/1119833264.db2.gz KMYRWSRXGSQKEC-WDSOQIARSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543462079 1120528521 /nfs/dbraw/zinc/52/85/21/1120528521.db2.gz WJHPDZCPBQNOAT-GVDBMIGSSA-N 2 1 278.484 3.974 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398210901 1120593583 /nfs/dbraw/zinc/59/35/83/1120593583.db2.gz PNTWIOYJFALVSP-AOIWGVFYSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398210901 1120593586 /nfs/dbraw/zinc/59/35/86/1120593586.db2.gz PNTWIOYJFALVSP-AOIWGVFYSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CC[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662252298 1120911956 /nfs/dbraw/zinc/91/19/56/1120911956.db2.gz OWPICLZXMOUROH-UHFFFAOYSA-N 2 1 292.426 3.521 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000174363611 1121283224 /nfs/dbraw/zinc/28/32/24/1121283224.db2.gz UJJHMTZIPAYBFY-NVXWUHKLSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509363925 1121551199 /nfs/dbraw/zinc/55/11/99/1121551199.db2.gz CMFZAZLAPNQSOF-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509363925 1121551203 /nfs/dbraw/zinc/55/12/03/1121551203.db2.gz CMFZAZLAPNQSOF-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509363925 1121551210 /nfs/dbraw/zinc/55/12/10/1121551210.db2.gz CMFZAZLAPNQSOF-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000509363925 1121551216 /nfs/dbraw/zinc/55/12/16/1121551216.db2.gz CMFZAZLAPNQSOF-MJGOQNOKSA-N 2 1 286.463 3.938 20 30 CHEDMP C=C(C)CC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063314 1121593589 /nfs/dbraw/zinc/59/35/89/1121593589.db2.gz ZDNOHDJVBVUSJU-UHFFFAOYSA-N 2 1 260.425 3.536 20 30 CHEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541999 1122546834 /nfs/dbraw/zinc/54/68/34/1122546834.db2.gz XMCOUYDJSWRIFO-OAHLLOKOSA-N 2 1 296.418 3.536 20 30 CHEDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541999 1122546837 /nfs/dbraw/zinc/54/68/37/1122546837.db2.gz XMCOUYDJSWRIFO-OAHLLOKOSA-N 2 1 296.418 3.536 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000439085625 1122751570 /nfs/dbraw/zinc/75/15/70/1122751570.db2.gz NKIIPQSCLLWFKK-HXUWFJFHSA-N 2 1 298.474 3.769 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000439085625 1122751573 /nfs/dbraw/zinc/75/15/73/1122751573.db2.gz NKIIPQSCLLWFKK-HXUWFJFHSA-N 2 1 298.474 3.769 20 30 CHEDMP C#C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001195567986 1122878470 /nfs/dbraw/zinc/87/84/70/1122878470.db2.gz NUVIBFSNFBWHCI-SFHVURJKSA-N 2 1 296.458 3.518 20 30 CHEDMP C=C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167982015 1122897095 /nfs/dbraw/zinc/89/70/95/1122897095.db2.gz SZWOREWHEJKJMJ-RAFMOHDBSA-N 2 1 296.458 3.909 20 30 CHEDMP C=C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167982015 1122897103 /nfs/dbraw/zinc/89/71/03/1122897103.db2.gz SZWOREWHEJKJMJ-RAFMOHDBSA-N 2 1 296.458 3.909 20 30 CHEDMP CCCCCCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001196632714 1122928505 /nfs/dbraw/zinc/92/85/05/1122928505.db2.gz XNVYWAMTOZWXPK-IAGOWNOFSA-N 2 1 266.473 3.621 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000507489145 1122960379 /nfs/dbraw/zinc/96/03/79/1122960379.db2.gz WIYFGGCMBBRKCD-MSOLQXFVSA-N 2 1 276.468 3.585 20 30 CHEDMP CCCCCCCN1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001201788150 1123152324 /nfs/dbraw/zinc/15/23/24/1123152324.db2.gz YKMKAZGCYNJXLQ-SFHVURJKSA-N 2 1 296.499 3.532 20 30 CHEDMP CCCCCCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001201788150 1123152325 /nfs/dbraw/zinc/15/23/25/1123152325.db2.gz YKMKAZGCYNJXLQ-SFHVURJKSA-N 2 1 296.499 3.532 20 30 CHEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000157058153 1129120868 /nfs/dbraw/zinc/12/08/68/1129120868.db2.gz UHQDXJMYAYYGOK-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058153 1129120870 /nfs/dbraw/zinc/12/08/70/1129120870.db2.gz UHQDXJMYAYYGOK-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058153 1129120872 /nfs/dbraw/zinc/12/08/72/1129120872.db2.gz UHQDXJMYAYYGOK-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058153 1129120873 /nfs/dbraw/zinc/12/08/73/1129120873.db2.gz UHQDXJMYAYYGOK-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058153 1129120875 /nfs/dbraw/zinc/12/08/75/1129120875.db2.gz UHQDXJMYAYYGOK-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000863542615 1123875410 /nfs/dbraw/zinc/87/54/10/1123875410.db2.gz QZLMTPKKXYHMBQ-DLBZAZTESA-N 2 1 270.420 3.568 20 30 CHEDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511216 1124482735 /nfs/dbraw/zinc/48/27/35/1124482735.db2.gz SKPFORGXKYGIAD-VQIMIIECSA-N 2 1 299.462 3.863 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001246037197 1131279395 /nfs/dbraw/zinc/27/93/95/1131279395.db2.gz UFYXZPXMLRPGIK-QZTJIDSGSA-N 2 1 298.515 3.562 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001246037197 1131279399 /nfs/dbraw/zinc/27/93/99/1131279399.db2.gz UFYXZPXMLRPGIK-QZTJIDSGSA-N 2 1 298.515 3.562 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877087755 1125009168 /nfs/dbraw/zinc/00/91/68/1125009168.db2.gz RFRINTZBSKYJLG-QUCCMNQESA-N 2 1 296.458 3.748 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877087755 1125009177 /nfs/dbraw/zinc/00/91/77/1125009177.db2.gz RFRINTZBSKYJLG-QUCCMNQESA-N 2 1 296.458 3.748 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390894354 1125115978 /nfs/dbraw/zinc/11/59/78/1125115978.db2.gz JCWSKPKJTRNCMF-GOSISDBHSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390894354 1125115981 /nfs/dbraw/zinc/11/59/81/1125115981.db2.gz JCWSKPKJTRNCMF-GOSISDBHSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192032455 1125330041 /nfs/dbraw/zinc/33/00/41/1125330041.db2.gz OHBAAYYIVTVZPM-UHFFFAOYSA-N 2 1 269.392 3.579 20 30 CHEDMP C=CCC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccco1 ZINC000643548478 1129445581 /nfs/dbraw/zinc/44/55/81/1129445581.db2.gz PZRVBTHQODJXOY-LSDHHAIUSA-N 2 1 274.408 3.551 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000103028045 1129683876 /nfs/dbraw/zinc/68/38/76/1129683876.db2.gz NQTULGVNJSFIGW-JKSUJKDBSA-N 2 1 266.473 3.809 20 30 CHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC[C@H]2CCC[NH2+]2)cc1 ZINC001169568471 1129738171 /nfs/dbraw/zinc/73/81/71/1129738171.db2.gz AJNCJBCMCQYIPI-IEBWSBKVSA-N 2 1 299.462 3.564 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000378663214 1130246831 /nfs/dbraw/zinc/24/68/31/1130246831.db2.gz DAVNTPHRIHRLSR-INIZCTEOSA-N 2 1 254.462 3.940 20 30 CHEDMP CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679824952 1130558692 /nfs/dbraw/zinc/55/86/92/1130558692.db2.gz QJTGCJYAEZYXED-CABCVRRESA-N 2 1 281.403 3.633 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031654 1130702978 /nfs/dbraw/zinc/70/29/78/1130702978.db2.gz NBLMQUSKGWFJJE-GOSISDBHSA-N 2 1 278.484 3.979 20 30 CHEDMP C=CCCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249220 1130727699 /nfs/dbraw/zinc/72/76/99/1130727699.db2.gz MNOSEAXBMPDCPV-WOJBJXKFSA-N 2 1 298.474 3.954 20 30 CHEDMP C=CCCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249220 1130727706 /nfs/dbraw/zinc/72/77/06/1130727706.db2.gz MNOSEAXBMPDCPV-WOJBJXKFSA-N 2 1 298.474 3.954 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424771 1130741312 /nfs/dbraw/zinc/74/13/12/1130741312.db2.gz JOPWJXVPJGZGLN-ROUUACIJSA-N 2 1 278.484 3.835 20 30 CHEDMP C=CCCCCCCCCC[N@H+](C)C1CC[NH2+]CC1 ZINC001235473202 1130748458 /nfs/dbraw/zinc/74/84/58/1130748458.db2.gz MXLQLWPJSBFJAH-UHFFFAOYSA-N 2 1 266.473 3.977 20 30 CHEDMP CCCCCCCCC[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235936695 1130810728 /nfs/dbraw/zinc/81/07/28/1130810728.db2.gz UWFMYPYMDNNRFE-UHFFFAOYSA-N 2 1 298.515 3.828 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236044075 1130837385 /nfs/dbraw/zinc/83/73/85/1130837385.db2.gz JAQMYGFMDAUBEU-HZPDHXFCSA-N 2 1 252.446 3.572 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+](CCC)C2CC[NH2+]CC2)CC1 ZINC001236180739 1130880202 /nfs/dbraw/zinc/88/02/02/1130880202.db2.gz NLWDFTYBMFSXQV-QGZVFWFLSA-N 2 1 276.468 3.753 20 30 CHEDMP C=CCCCCCCC[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236224365 1130894351 /nfs/dbraw/zinc/89/43/51/1130894351.db2.gz UCMCEVFPDJJTCB-UHFFFAOYSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCCCC[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236407142 1130931325 /nfs/dbraw/zinc/93/13/25/1130931325.db2.gz BZLHGXHVPSOLNL-INIZCTEOSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CCCCCCCCC[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409192 1130931872 /nfs/dbraw/zinc/93/18/72/1130931872.db2.gz YKWXFYCWLBLRKG-QGZVFWFLSA-N 2 1 266.473 3.835 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246232089 1131417902 /nfs/dbraw/zinc/41/79/02/1131417902.db2.gz QBXSBOFCILTPKF-CABCVRRESA-N 2 1 290.442 3.960 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246232091 1131418183 /nfs/dbraw/zinc/41/81/83/1131418183.db2.gz QBXSBOFCILTPKF-GJZGRUSLSA-N 2 1 290.442 3.960 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535473 1131573578 /nfs/dbraw/zinc/57/35/78/1131573578.db2.gz MHDLDFIYOQBLJF-DLBZAZTESA-N 2 1 284.488 3.565 20 30 CHEDMP C=C(C)C[N@@H+](CC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140026959 1131657780 /nfs/dbraw/zinc/65/77/80/1131657780.db2.gz RGXMZIGZVFJERU-UHFFFAOYSA-N 2 1 269.392 3.579 20 30 CHEDMP C=C(C)C[N@H+](CC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140026959 1131657782 /nfs/dbraw/zinc/65/77/82/1131657782.db2.gz RGXMZIGZVFJERU-UHFFFAOYSA-N 2 1 269.392 3.579 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172487544 1132224855 /nfs/dbraw/zinc/22/48/55/1132224855.db2.gz BVNCNECXIWCURU-LMMKCTJWSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172487544 1132224858 /nfs/dbraw/zinc/22/48/58/1132224858.db2.gz BVNCNECXIWCURU-LMMKCTJWSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484649 1132231375 /nfs/dbraw/zinc/23/13/75/1132231375.db2.gz BENIVUFAUZPYRZ-BHIYHBOVSA-N 2 1 299.462 3.841 20 30 CHEDMP CCC(CC)[N@@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488695 1132246107 /nfs/dbraw/zinc/24/61/07/1132246107.db2.gz VTJOXTDHDIZAJL-BFYDXBDKSA-N 2 1 279.472 3.829 20 30 CHEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842689101 1132450781 /nfs/dbraw/zinc/45/07/81/1132450781.db2.gz TYLPTWSEERLPOJ-IBGZPJMESA-N 2 1 296.458 3.577 20 30 CHEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842689101 1132450782 /nfs/dbraw/zinc/45/07/82/1132450782.db2.gz TYLPTWSEERLPOJ-IBGZPJMESA-N 2 1 296.458 3.577 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606284 1133727191 /nfs/dbraw/zinc/72/71/91/1133727191.db2.gz JBRHECFOAICFCJ-QGZVFWFLSA-N 2 1 266.473 3.964 20 30 CHEDMP C=CC[N@H+](CCC1CC[NH+](C)CC1)C1CCCCC1 ZINC001207489328 1133806182 /nfs/dbraw/zinc/80/61/82/1133806182.db2.gz ZDZVOXLAVRTXES-UHFFFAOYSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCCCCCN1CCC([N@@H+](C)C2CC2)CC1 ZINC001209440515 1134020185 /nfs/dbraw/zinc/02/01/85/1134020185.db2.gz LRVNCDSBZGSYET-UHFFFAOYSA-N 2 1 264.457 3.682 20 30 CHEDMP C=CCCCCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001209440515 1134020194 /nfs/dbraw/zinc/02/01/94/1134020194.db2.gz LRVNCDSBZGSYET-UHFFFAOYSA-N 2 1 264.457 3.682 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181742 1135205292 /nfs/dbraw/zinc/20/52/92/1135205292.db2.gz XJOLCZZDUWVFKQ-UHFFFAOYSA-N 2 1 296.499 3.582 20 30 CHEDMP CCCCCCCC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287571 1135218911 /nfs/dbraw/zinc/21/89/11/1135218911.db2.gz MMUOSHSBUVASCC-UHFFFAOYSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421663 1135239667 /nfs/dbraw/zinc/23/96/67/1135239667.db2.gz OQXUQNJXXKMHSL-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421663 1135239672 /nfs/dbraw/zinc/23/96/72/1135239672.db2.gz OQXUQNJXXKMHSL-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173398631 329147788 /nfs/dbraw/zinc/14/77/88/329147788.db2.gz WVKWDOWPVFWJDT-CYBMUJFWSA-N 2 1 294.389 3.656 20 30 CHEDMP C=C(C)C[NH+]1CCC(N[C@H](CC)c2ccccc2F)CC1 ZINC000180490244 329219731 /nfs/dbraw/zinc/21/97/31/329219731.db2.gz SBFAZDCURVXYPQ-GOSISDBHSA-N 2 1 290.426 3.907 20 30 CHEDMP C=CCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183672915 329251831 /nfs/dbraw/zinc/25/18/31/329251831.db2.gz DGASSJBSFOVOAI-CQSZACIVSA-N 2 1 269.392 3.798 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000278699587 330118082 /nfs/dbraw/zinc/11/80/82/330118082.db2.gz KYXBWHFKICYQQO-LJQANCHMSA-N 2 1 297.446 3.639 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000449075455 330897386 /nfs/dbraw/zinc/89/73/86/330897386.db2.gz RDIAXEJIPVGRGS-CABCVRRESA-N 2 1 263.429 3.552 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)C2CCC2)CC1 ZINC000453091302 331088291 /nfs/dbraw/zinc/08/82/91/331088291.db2.gz CHNOWQIVWOJVAY-KRWDZBQOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCCC)CC1 ZINC000468367504 331433032 /nfs/dbraw/zinc/43/30/32/331433032.db2.gz NBQLFRIUYPMMHL-WMZOPIPTSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923132 333240236 /nfs/dbraw/zinc/24/02/36/333240236.db2.gz RXFSAGIOLFGOGX-LNLFQRSKSA-N 2 1 286.463 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000550644138 334226008 /nfs/dbraw/zinc/22/60/08/334226008.db2.gz NKOFDBTVUJWJRI-QGZVFWFLSA-N 2 1 276.468 3.729 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000552037743 334279605 /nfs/dbraw/zinc/27/96/05/334279605.db2.gz IDNLSTTXBSDGKO-IRXDYDNUSA-N 2 1 290.451 3.999 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000152980939 334535526 /nfs/dbraw/zinc/53/55/26/334535526.db2.gz JXRXORUMKDONNU-KXBFYZLASA-N 2 1 284.447 3.550 20 30 CHEDMP CC(C)[NH+](CCC[NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353250209 528886165 /nfs/dbraw/zinc/88/61/65/528886165.db2.gz FJTJJBDZPDNNJS-IBGZPJMESA-N 2 1 299.462 3.644 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000766124416 1121287150 /nfs/dbraw/zinc/28/71/50/1121287150.db2.gz XTNYNWSNQHAMQP-IRXDYDNUSA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766124416 1121287155 /nfs/dbraw/zinc/28/71/55/1121287155.db2.gz XTNYNWSNQHAMQP-IRXDYDNUSA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766124416 1121287159 /nfs/dbraw/zinc/28/71/59/1121287159.db2.gz XTNYNWSNQHAMQP-IRXDYDNUSA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201840349 1123155339 /nfs/dbraw/zinc/15/53/39/1123155339.db2.gz YLJUSURPQIHGBI-SJORKVTESA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201840349 1123155340 /nfs/dbraw/zinc/15/53/40/1123155340.db2.gz YLJUSURPQIHGBI-SJORKVTESA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201840349 1123155343 /nfs/dbraw/zinc/15/53/43/1123155343.db2.gz YLJUSURPQIHGBI-SJORKVTESA-N 2 1 266.473 3.621 20 30 CHEDMP C=C(C)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485492666 1126919617 /nfs/dbraw/zinc/91/96/17/1126919617.db2.gz OCJCIXIPNWJAFM-UHFFFAOYSA-N 2 1 284.447 3.551 20 30 CHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189896820 1126936250 /nfs/dbraw/zinc/93/62/50/1126936250.db2.gz SZOJZRPGVOGCOE-APWZRJJASA-N 2 1 297.446 3.570 20 30 CHEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189896820 1126936253 /nfs/dbraw/zinc/93/62/53/1126936253.db2.gz SZOJZRPGVOGCOE-APWZRJJASA-N 2 1 297.446 3.570 20 30 CHEDMP C=CCCCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000487862784 1127044692 /nfs/dbraw/zinc/04/46/92/1127044692.db2.gz SVAZHMYOJCBPNO-UHFFFAOYSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178314 1131074765 /nfs/dbraw/zinc/07/47/65/1131074765.db2.gz LVAWDYCMSUNGCX-UHFFFAOYSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352357420 1127225864 /nfs/dbraw/zinc/22/58/64/1127225864.db2.gz MXMVIHDICRKLAT-MRXNPFEDSA-N 2 1 288.435 3.978 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccco1 ZINC000286017611 1127253636 /nfs/dbraw/zinc/25/36/36/1127253636.db2.gz JNNMNZXCUGLAMB-GOEBONIOSA-N 2 1 287.407 3.718 20 30 CHEDMP C=CCCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000573654562 1127323300 /nfs/dbraw/zinc/32/33/00/1127323300.db2.gz WYQNTAXMEKNVLT-UHFFFAOYSA-N 2 1 274.408 3.590 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000467415261 1127968214 /nfs/dbraw/zinc/96/82/14/1127968214.db2.gz YHMHMRYUFYBEJY-VNTMZGSJSA-N 2 1 298.474 3.841 20 30 CHEDMP C=CCCC[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000540296773 1127972980 /nfs/dbraw/zinc/97/29/80/1127972980.db2.gz CKHWJSYTIZAHJT-CVEARBPZSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000540296773 1127972982 /nfs/dbraw/zinc/97/29/82/1127972982.db2.gz CKHWJSYTIZAHJT-CVEARBPZSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000540296773 1127972983 /nfs/dbraw/zinc/97/29/83/1127972983.db2.gz CKHWJSYTIZAHJT-CVEARBPZSA-N 2 1 252.446 3.537 20 30 CHEDMP CCCCCCC[N@H+](CC)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235662360 1128347064 /nfs/dbraw/zinc/34/70/64/1128347064.db2.gz SCKYMBDSCKNDHP-LSDHHAIUSA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCC[N@@H+](CC)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235662360 1128347067 /nfs/dbraw/zinc/34/70/67/1128347067.db2.gz SCKYMBDSCKNDHP-LSDHHAIUSA-N 2 1 290.442 3.770 20 30 CHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CCC(C#N)CC1 ZINC000931704622 1128377177 /nfs/dbraw/zinc/37/71/77/1128377177.db2.gz XLHSHUISGWTNKH-UHFFFAOYSA-N 2 1 291.483 3.514 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000566922449 1128554503 /nfs/dbraw/zinc/55/45/03/1128554503.db2.gz HUTMCDWDJTVFKZ-GOSISDBHSA-N 2 1 283.419 3.650 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000556863287 1128632313 /nfs/dbraw/zinc/63/23/13/1128632313.db2.gz XDTMNMROXVMDLT-HZPDHXFCSA-N 2 1 276.424 3.608 20 30 CHEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258051220 1128699019 /nfs/dbraw/zinc/69/90/19/1128699019.db2.gz CLGBRZKRHQOTGC-ZACQAIPSSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258051220 1128699021 /nfs/dbraw/zinc/69/90/21/1128699021.db2.gz CLGBRZKRHQOTGC-ZACQAIPSSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258051220 1128699025 /nfs/dbraw/zinc/69/90/25/1128699025.db2.gz CLGBRZKRHQOTGC-ZACQAIPSSA-N 2 1 266.473 3.619 20 30 CHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609823503 1128727797 /nfs/dbraw/zinc/72/77/97/1128727797.db2.gz LTRVLPVGVUTYDY-INIZCTEOSA-N 2 1 299.462 3.671 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000624123433 1117987094 /nfs/dbraw/zinc/98/70/94/1117987094.db2.gz LUKDRFCSYKMBEW-HOTGVXAUSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000624123433 1117987098 /nfs/dbraw/zinc/98/70/98/1117987098.db2.gz LUKDRFCSYKMBEW-HOTGVXAUSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000657567538 1119187878 /nfs/dbraw/zinc/18/78/78/1119187878.db2.gz SSBONHVCLLKHIO-IAGOWNOFSA-N 2 1 276.468 3.729 20 30 CHEDMP C=CC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000281597100 1119855579 /nfs/dbraw/zinc/85/55/79/1119855579.db2.gz LYZPFKCODWCBMK-QGZVFWFLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000651758787 1120736468 /nfs/dbraw/zinc/73/64/68/1120736468.db2.gz NVQIVUYOKBGWFA-MHORFTMASA-N 2 1 290.495 3.974 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000766124536 1121285587 /nfs/dbraw/zinc/28/55/87/1121285587.db2.gz XTNYNWSNQHAMQP-SJORKVTESA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000766124536 1121285590 /nfs/dbraw/zinc/28/55/90/1121285590.db2.gz XTNYNWSNQHAMQP-SJORKVTESA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766124536 1121285593 /nfs/dbraw/zinc/28/55/93/1121285593.db2.gz XTNYNWSNQHAMQP-SJORKVTESA-N 2 1 266.473 3.763 20 30 CHEDMP C=CC[C@H](C)[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380607 1121307385 /nfs/dbraw/zinc/30/73/85/1121307385.db2.gz ACFBVONREIQTAZ-IHPCNDPISA-N 2 1 298.474 3.795 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001206292491 1121709032 /nfs/dbraw/zinc/70/90/32/1121709032.db2.gz BZVAKVATEUYGNM-QZTJIDSGSA-N 2 1 276.468 3.740 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@H](C)CCC)CC1 ZINC000153009067 1129016261 /nfs/dbraw/zinc/01/62/61/1129016261.db2.gz GPMCKBFYZTWABR-NVXWUHKLSA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000153059182 1129017748 /nfs/dbraw/zinc/01/77/48/1129017748.db2.gz YQNOGRKARKKSRM-MRXNPFEDSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420296374 1121995347 /nfs/dbraw/zinc/99/53/47/1121995347.db2.gz BQPFCLKHMAAMFD-CYBMUJFWSA-N 2 1 298.883 3.779 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191101258 1122572794 /nfs/dbraw/zinc/57/27/94/1122572794.db2.gz VOMAJLZGJLKMLG-KRWDZBQOSA-N 2 1 266.473 3.907 20 30 CHEDMP C=CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC001192515172 1122649606 /nfs/dbraw/zinc/64/96/06/1122649606.db2.gz LSZBSNWIEIRIFZ-UHFFFAOYSA-N 2 1 284.447 3.823 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000439084508 1122751761 /nfs/dbraw/zinc/75/17/61/1122751761.db2.gz LBCCTKVNHJGLLQ-NVXWUHKLSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC001199037644 1123018837 /nfs/dbraw/zinc/01/88/37/1123018837.db2.gz BOMZCCXHOOSWKF-IEBWSBKVSA-N 2 1 286.463 3.843 20 30 CHEDMP CCCCCCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001201839483 1123154120 /nfs/dbraw/zinc/15/41/20/1123154120.db2.gz FKEJNKPWOCXCNM-UHFFFAOYSA-N 2 1 266.473 3.906 20 30 CHEDMP CCCCCCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001201839483 1123154122 /nfs/dbraw/zinc/15/41/22/1123154122.db2.gz FKEJNKPWOCXCNM-UHFFFAOYSA-N 2 1 266.473 3.906 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2CC)CC1 ZINC000430722988 1123204630 /nfs/dbraw/zinc/20/46/30/1123204630.db2.gz RHYZWZKCYUCZGW-SOLBZPMBSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC[N@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065672 1123875515 /nfs/dbraw/zinc/87/55/15/1123875515.db2.gz XKZWKBKPQHFPND-HOTGVXAUSA-N 2 1 272.436 3.546 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000339070641 1123942004 /nfs/dbraw/zinc/94/20/04/1123942004.db2.gz CKSVZSHBXAASSM-QRTARXTBSA-N 2 1 294.402 3.524 20 30 CHEDMP CCCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192618581 1124042744 /nfs/dbraw/zinc/04/27/44/1124042744.db2.gz IDVCJJGPJBHHDG-ALOPSCKCSA-N 2 1 266.473 3.952 20 30 CHEDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094686 1124650553 /nfs/dbraw/zinc/65/05/53/1124650553.db2.gz SXODXNAMONMHCC-KLHKWILBSA-N 2 1 291.483 3.559 20 30 CHEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094686 1124650556 /nfs/dbraw/zinc/65/05/56/1124650556.db2.gz SXODXNAMONMHCC-KLHKWILBSA-N 2 1 291.483 3.559 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)CCC(F)(F)F)CC1 ZINC000872033117 1124661486 /nfs/dbraw/zinc/66/14/86/1124661486.db2.gz FFGYPDOMOOUENT-ZDUSSCGKSA-N 2 1 292.389 3.738 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000121330546 1125108203 /nfs/dbraw/zinc/10/82/03/1125108203.db2.gz WSQIJZPCPBVTNZ-UHFFFAOYSA-N 2 1 284.403 3.563 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883173816 1125374938 /nfs/dbraw/zinc/37/49/38/1125374938.db2.gz UROYPNIFGZPLJG-AQNXPRMDSA-N 2 1 298.474 3.780 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000883192609 1125375920 /nfs/dbraw/zinc/37/59/20/1125375920.db2.gz DEWABXXBKLQPDZ-QRQLOZEOSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000883192609 1125375923 /nfs/dbraw/zinc/37/59/23/1125375923.db2.gz DEWABXXBKLQPDZ-QRQLOZEOSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117440 1129284414 /nfs/dbraw/zinc/28/44/14/1129284414.db2.gz DFORTPFKXQCIML-HKUYNNGSSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117440 1129284419 /nfs/dbraw/zinc/28/44/19/1129284419.db2.gz DFORTPFKXQCIML-HKUYNNGSSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCC[C@H](C)[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723694 1129579843 /nfs/dbraw/zinc/57/98/43/1129579843.db2.gz CEKLIUBUPBRMGK-JYJNAYRXSA-N 2 1 252.446 3.569 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000103128425 1129712959 /nfs/dbraw/zinc/71/29/59/1129712959.db2.gz SJMXPFPRKDLGDV-OAHLLOKOSA-N 2 1 254.462 3.809 20 30 CHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC[C@H]2CCC[NH2+]2)cc1 ZINC001169568473 1129738324 /nfs/dbraw/zinc/73/83/24/1129738324.db2.gz AJNCJBCMCQYIPI-MJGOQNOKSA-N 2 1 299.462 3.564 20 30 CHEDMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902819980 1130062246 /nfs/dbraw/zinc/06/22/46/1130062246.db2.gz YVCNSKUADSIHJJ-SFHVURJKSA-N 2 1 296.418 3.584 20 30 CHEDMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1 ZINC000902975091 1130094080 /nfs/dbraw/zinc/09/40/80/1130094080.db2.gz CEGDPFSWDHJKSM-ACBHZAAOSA-N 2 1 297.446 3.616 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000378663216 1130247721 /nfs/dbraw/zinc/24/77/21/1130247721.db2.gz DAVNTPHRIHRLSR-MRXNPFEDSA-N 2 1 254.462 3.940 20 30 CHEDMP CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679824953 1130558614 /nfs/dbraw/zinc/55/86/14/1130558614.db2.gz QJTGCJYAEZYXED-GJZGRUSLSA-N 2 1 281.403 3.633 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026816 1130703462 /nfs/dbraw/zinc/70/34/62/1130703462.db2.gz SWMYVUUCAFBKHN-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094055 1130710194 /nfs/dbraw/zinc/71/01/94/1130710194.db2.gz XNMDPPIPIPDYNB-CMDGGOBGSA-N 2 1 278.484 3.979 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165218 1130716817 /nfs/dbraw/zinc/71/68/17/1130716817.db2.gz HMDBSBYCSSJOSE-JKSUJKDBSA-N 2 1 252.446 3.550 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165218 1130716823 /nfs/dbraw/zinc/71/68/23/1130716823.db2.gz HMDBSBYCSSJOSE-JKSUJKDBSA-N 2 1 252.446 3.550 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424770 1130741923 /nfs/dbraw/zinc/74/19/23/1130741923.db2.gz JOPWJXVPJGZGLN-QZTJIDSGSA-N 2 1 278.484 3.835 20 30 CHEDMP C=CCCCCCCCC[N@H+](C)CC1CC[NH2+]CC1 ZINC001235433102 1130742953 /nfs/dbraw/zinc/74/29/53/1130742953.db2.gz GGZXGCWNBQXFJV-UHFFFAOYSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCC[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235703022 1130771601 /nfs/dbraw/zinc/77/16/01/1130771601.db2.gz OFEHOPOUBKAMGG-UHFFFAOYSA-N 2 1 298.474 3.845 20 30 CHEDMP C=CCCCCCCC[N@H+](CC)C1CC[NH2+]CC1 ZINC001235762414 1130779143 /nfs/dbraw/zinc/77/91/43/1130779143.db2.gz UCXMVPMCWMSFGX-UHFFFAOYSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925748 1130805728 /nfs/dbraw/zinc/80/57/28/1130805728.db2.gz ZIQUKXRBWBRZCI-INIZCTEOSA-N 2 1 252.446 3.716 20 30 CHEDMP CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236351962 1130917668 /nfs/dbraw/zinc/91/76/68/1130917668.db2.gz GOLYPOSGZCHEOZ-KBPBESRZSA-N 2 1 294.405 3.949 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236351962 1130917674 /nfs/dbraw/zinc/91/76/74/1130917674.db2.gz GOLYPOSGZCHEOZ-KBPBESRZSA-N 2 1 294.405 3.949 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236407165 1130931211 /nfs/dbraw/zinc/93/12/11/1130931211.db2.gz CPNPGYAHMBYUEQ-DVQDXYAYSA-N 2 1 266.473 3.835 20 30 CHEDMP CCCCCCCCCC[N@H+](C)Cc1c[nH+]c(N)[nH]1 ZINC001236423334 1130937427 /nfs/dbraw/zinc/93/74/27/1130937427.db2.gz MBSDUSVUJJTHHT-UHFFFAOYSA-N 2 1 266.433 3.564 20 30 CHEDMP CCCCCCCCCC[N@@H+](C)Cc1c[nH+]c(N)[nH]1 ZINC001236423334 1130937429 /nfs/dbraw/zinc/93/74/29/1130937429.db2.gz MBSDUSVUJJTHHT-UHFFFAOYSA-N 2 1 266.433 3.564 20 30 CHEDMP CCCCCCC[N@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448200 1130944338 /nfs/dbraw/zinc/94/43/38/1130944338.db2.gz PWTXWIWYWGJBCR-UHFFFAOYSA-N 2 1 289.467 3.606 20 30 CHEDMP CCCCCCC[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448200 1130944342 /nfs/dbraw/zinc/94/43/42/1130944342.db2.gz PWTXWIWYWGJBCR-UHFFFAOYSA-N 2 1 289.467 3.606 20 30 CHEDMP C=CCCC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001278253904 1131220421 /nfs/dbraw/zinc/22/04/21/1131220421.db2.gz MRWREQHXPVVBEU-CALCHBBNSA-N 2 1 276.468 3.539 20 30 CHEDMP C=CCCC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001278253904 1131220423 /nfs/dbraw/zinc/22/04/23/1131220423.db2.gz MRWREQHXPVVBEU-CALCHBBNSA-N 2 1 276.468 3.539 20 30 CHEDMP C=CCCC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001278253904 1131220428 /nfs/dbraw/zinc/22/04/28/1131220428.db2.gz MRWREQHXPVVBEU-CALCHBBNSA-N 2 1 276.468 3.539 20 30 CHEDMP CCCCCCC[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246645630 1131772236 /nfs/dbraw/zinc/77/22/36/1131772236.db2.gz CTATUTGJSVRYPS-HNNXBMFYSA-N 2 1 252.446 3.563 20 30 CHEDMP C=CCCCC[N@H+](C)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246869944 1131797455 /nfs/dbraw/zinc/79/74/55/1131797455.db2.gz JGXSNCCMFSXEJV-HUUCEWRRSA-N 2 1 252.446 3.584 20 30 CHEDMP C[N@H+](Cc1cccc(C#N)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641664 1132080306 /nfs/dbraw/zinc/08/03/06/1132080306.db2.gz SKQQZJDBDDMWQT-UHFFFAOYSA-N 2 1 299.462 3.641 20 30 CHEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641664 1132080311 /nfs/dbraw/zinc/08/03/11/1132080311.db2.gz SKQQZJDBDDMWQT-UHFFFAOYSA-N 2 1 299.462 3.641 20 30 CHEDMP C=CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075754 1132122829 /nfs/dbraw/zinc/12/28/29/1132122829.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075754 1132122833 /nfs/dbraw/zinc/12/28/33/1132122833.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075754 1132122837 /nfs/dbraw/zinc/12/28/37/1132122837.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156644 1132125300 /nfs/dbraw/zinc/12/53/00/1132125300.db2.gz RQYDYUBKMLAEGH-JKSUJKDBSA-N 2 1 272.452 3.888 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156644 1132125301 /nfs/dbraw/zinc/12/53/01/1132125301.db2.gz RQYDYUBKMLAEGH-JKSUJKDBSA-N 2 1 272.452 3.888 20 30 CHEDMP C=C(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062542 1132126441 /nfs/dbraw/zinc/12/64/41/1132126441.db2.gz PCJLVEZSCZYMQA-REPLKXPHSA-N 2 1 284.447 3.738 20 30 CHEDMP CCCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105527 1132130026 /nfs/dbraw/zinc/13/00/26/1132130026.db2.gz IVEHHIZGFUKMIL-MUJYYYPQSA-N 2 1 252.446 3.562 20 30 CHEDMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172113597 1132133114 /nfs/dbraw/zinc/13/31/14/1132133114.db2.gz DRGBVQHVZOVQQD-FCGDIQPGSA-N 2 1 297.446 3.614 20 30 CHEDMP CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172113597 1132133116 /nfs/dbraw/zinc/13/31/16/1132133116.db2.gz DRGBVQHVZOVQQD-FCGDIQPGSA-N 2 1 297.446 3.614 20 30 CHEDMP C=CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122446 1132136499 /nfs/dbraw/zinc/13/64/99/1132136499.db2.gz BDJYPWGNJAUSGP-BCDXTJNWSA-N 2 1 276.468 3.822 20 30 CHEDMP C=CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122446 1132136502 /nfs/dbraw/zinc/13/65/02/1132136502.db2.gz BDJYPWGNJAUSGP-BCDXTJNWSA-N 2 1 276.468 3.822 20 30 CHEDMP C=CC[N@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122446 1132136503 /nfs/dbraw/zinc/13/65/03/1132136503.db2.gz BDJYPWGNJAUSGP-BCDXTJNWSA-N 2 1 276.468 3.822 20 30 CHEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122446 1132136506 /nfs/dbraw/zinc/13/65/06/1132136506.db2.gz BDJYPWGNJAUSGP-BCDXTJNWSA-N 2 1 276.468 3.822 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491149 1132246916 /nfs/dbraw/zinc/24/69/16/1132246916.db2.gz DNDQLQUUQCIMBR-SZMVWBNQSA-N 2 1 291.483 3.831 20 30 CHEDMP CC[NH+](CC)C1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001173112159 1132394913 /nfs/dbraw/zinc/39/49/13/1132394913.db2.gz RJVJTVIYQVLVSQ-UHFFFAOYSA-N 2 1 291.483 3.798 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842689102 1132450815 /nfs/dbraw/zinc/45/08/15/1132450815.db2.gz TYLPTWSEERLPOJ-LJQANCHMSA-N 2 1 296.458 3.577 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842689102 1132450819 /nfs/dbraw/zinc/45/08/19/1132450819.db2.gz TYLPTWSEERLPOJ-LJQANCHMSA-N 2 1 296.458 3.577 20 30 CHEDMP CC(C)C[N@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173332413 1132465208 /nfs/dbraw/zinc/46/52/08/1132465208.db2.gz KORMRKJSJVQLIJ-QXINMDOSSA-N 2 1 291.483 3.687 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205538916 1133586180 /nfs/dbraw/zinc/58/61/80/1133586180.db2.gz RDZBXMPKMVNJFG-INIZCTEOSA-N 2 1 272.452 3.890 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205863488 1133624316 /nfs/dbraw/zinc/62/43/16/1133624316.db2.gz XXLYCCSFZBXFRI-CVEARBPZSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205863488 1133624318 /nfs/dbraw/zinc/62/43/18/1133624318.db2.gz XXLYCCSFZBXFRI-CVEARBPZSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CC[C@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC001205924679 1133631274 /nfs/dbraw/zinc/63/12/74/1133631274.db2.gz KIUMDDFUFWUXLS-KSZLIROESA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981422 1133638062 /nfs/dbraw/zinc/63/80/62/1133638062.db2.gz CBMLAFSVKYJPMA-DLBZAZTESA-N 2 1 266.473 3.820 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001206542318 1133715671 /nfs/dbraw/zinc/71/56/71/1133715671.db2.gz YBIZZOWESSKOAH-QZTJIDSGSA-N 2 1 276.468 3.740 20 30 CHEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185608 1133776759 /nfs/dbraw/zinc/77/67/59/1133776759.db2.gz QOOXFGUZJCYPGQ-DOTOQJQBSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185608 1133776765 /nfs/dbraw/zinc/77/67/65/1133776765.db2.gz QOOXFGUZJCYPGQ-DOTOQJQBSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209207357 1133988399 /nfs/dbraw/zinc/98/83/99/1133988399.db2.gz VLKHSYFHDWKMPL-VQTJNVASSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209207357 1133988402 /nfs/dbraw/zinc/98/84/02/1133988402.db2.gz VLKHSYFHDWKMPL-VQTJNVASSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476708 1134225111 /nfs/dbraw/zinc/22/51/11/1134225111.db2.gz YFTNSCBWTQNCID-INIZCTEOSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCCCCCC[NH+]1CC(C[NH2+]C)C1 ZINC001210545333 1134244576 /nfs/dbraw/zinc/24/45/76/1134244576.db2.gz PDNJVOGXNUQAAC-UHFFFAOYSA-N 2 1 254.462 3.668 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)CC1 ZINC001222307852 1135221315 /nfs/dbraw/zinc/22/13/15/1135221315.db2.gz CKMYNFGUUIPYRF-MOPGFXCFSA-N 2 1 288.479 3.897 20 30 CHEDMP C=CCCCCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595588 1135254405 /nfs/dbraw/zinc/25/44/05/1135254405.db2.gz DLYZPTQVWXGERF-LJQANCHMSA-N 2 1 298.474 3.812 20 30 CHEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365436334 262364946 /nfs/dbraw/zinc/36/49/46/262364946.db2.gz ZCEUBUNVSVUFDX-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)CCC#N)CC1)CC(C)C ZINC000411438210 262693644 /nfs/dbraw/zinc/69/36/44/262693644.db2.gz BLGVZXHVNFCPAW-KRWDZBQOSA-N 2 1 293.499 3.759 20 30 CHEDMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000519014821 265297108 /nfs/dbraw/zinc/29/71/08/265297108.db2.gz OGOVMEQZSFARAP-MRXNPFEDSA-N 2 1 287.451 3.721 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(F)c2)CC1 ZINC000187977928 328425831 /nfs/dbraw/zinc/42/58/31/328425831.db2.gz INHHFZTWGWPZCF-GOSISDBHSA-N 2 1 290.426 3.907 20 30 CHEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000269409963 330069985 /nfs/dbraw/zinc/06/99/85/330069985.db2.gz IUQSWNANAPRWKH-LJQANCHMSA-N 2 1 284.447 3.910 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C)(C)C(F)(F)CC)CC1 ZINC000527656609 330272995 /nfs/dbraw/zinc/27/29/95/330272995.db2.gz HXHRBSHDUIWQAY-UHFFFAOYSA-N 2 1 288.426 3.688 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)C(C)(C)C)CC1 ZINC000453106252 331089749 /nfs/dbraw/zinc/08/97/49/331089749.db2.gz YKNCGHALKJPWCR-INIZCTEOSA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453305913 331113914 /nfs/dbraw/zinc/11/39/14/331113914.db2.gz ALRNPWDRPFESDV-UHFFFAOYSA-N 2 1 286.463 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000474712606 331595432 /nfs/dbraw/zinc/59/54/32/331595432.db2.gz NMWGDPDGKKRDKL-CQSZACIVSA-N 2 1 278.484 3.687 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488433971 332007916 /nfs/dbraw/zinc/00/79/16/332007916.db2.gz RXWZGNMICZUDDS-JKSUJKDBSA-N 2 1 296.524 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488433968 332007930 /nfs/dbraw/zinc/00/79/30/332007930.db2.gz RXWZGNMICZUDDS-CVEARBPZSA-N 2 1 296.524 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488433970 332008004 /nfs/dbraw/zinc/00/80/04/332008004.db2.gz RXWZGNMICZUDDS-HZPDHXFCSA-N 2 1 296.524 3.537 20 30 CHEDMP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935771 333240525 /nfs/dbraw/zinc/24/05/25/333240525.db2.gz UYQSYXVLQIXNQG-RBUKOAKNSA-N 2 1 286.463 3.843 20 30 CHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC(C)(C)CCC#N ZINC000174272606 335151716 /nfs/dbraw/zinc/15/17/16/335151716.db2.gz AOZFWHDLGWTIRM-MRXNPFEDSA-N 2 1 279.472 3.561 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000245842642 334221122 /nfs/dbraw/zinc/22/11/22/334221122.db2.gz DWPYRIXZAYGNAV-DLBZAZTESA-N 2 1 299.462 3.863 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000156807417 334750256 /nfs/dbraw/zinc/75/02/56/334750256.db2.gz SPJGQDIENXKXSV-HNNXBMFYSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000542700335 1120122014 /nfs/dbraw/zinc/12/20/14/1120122014.db2.gz RUKZTHZWXMDGAX-DOTOQJQBSA-N 2 1 278.484 3.831 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191101259 1122572848 /nfs/dbraw/zinc/57/28/48/1122572848.db2.gz VOMAJLZGJLKMLG-QGZVFWFLSA-N 2 1 266.473 3.907 20 30 CHEDMP CCCCCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001201840273 1123154932 /nfs/dbraw/zinc/15/49/32/1123154932.db2.gz RRCRNNWOTYDHLA-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP CCCCCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201840273 1123154934 /nfs/dbraw/zinc/15/49/34/1123154934.db2.gz RRCRNNWOTYDHLA-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP CCCCCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660974 1131779795 /nfs/dbraw/zinc/77/97/95/1131779795.db2.gz QMPIDRMONWUGNO-QZWWFDLISA-N 2 1 266.473 3.937 20 30 CHEDMP C=CCCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209440822 1134021182 /nfs/dbraw/zinc/02/11/82/1134021182.db2.gz DVHYBFODRMJDDW-KRWDZBQOSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209440822 1134021187 /nfs/dbraw/zinc/02/11/87/1134021187.db2.gz DVHYBFODRMJDDW-KRWDZBQOSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209440822 1134021194 /nfs/dbraw/zinc/02/11/94/1134021194.db2.gz DVHYBFODRMJDDW-KRWDZBQOSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCC[N@H+](C)[C@@H]1CCC[NH+](CCCC=C)CC1 ZINC000532825820 1125584758 /nfs/dbraw/zinc/58/47/58/1125584758.db2.gz SRTZPBVIEDVVFV-QGZVFWFLSA-N 2 1 264.457 3.705 20 30 CHEDMP C=CCCC[NH+](C)[C@@H]1CCC[N@H+](CCCC=C)CC1 ZINC000532825820 1125584760 /nfs/dbraw/zinc/58/47/60/1125584760.db2.gz SRTZPBVIEDVVFV-QGZVFWFLSA-N 2 1 264.457 3.705 20 30 CHEDMP C=CCCC[NH+](C)[C@@H]1CCC[N@@H+](CCCC=C)CC1 ZINC000532825820 1125584764 /nfs/dbraw/zinc/58/47/64/1125584764.db2.gz SRTZPBVIEDVVFV-QGZVFWFLSA-N 2 1 264.457 3.705 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000152933518 1126757364 /nfs/dbraw/zinc/75/73/64/1126757364.db2.gz KWIGNEMYMUMOBG-CQSZACIVSA-N 2 1 278.465 3.748 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000181511270 1126856589 /nfs/dbraw/zinc/85/65/89/1126856589.db2.gz NEWIUGVUFIALQE-IRXDYDNUSA-N 2 1 299.462 3.863 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236065667 1130845796 /nfs/dbraw/zinc/84/57/96/1130845796.db2.gz CGEOCDMPRWYRJA-QGZVFWFLSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352348834 1127225836 /nfs/dbraw/zinc/22/58/36/1127225836.db2.gz FYYNDZIKNQHKJR-UHFFFAOYSA-N 2 1 288.435 3.980 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157549567 1127327406 /nfs/dbraw/zinc/32/74/06/1127327406.db2.gz AOOIEBCGQGVXEZ-GVDBMIGSSA-N 2 1 266.473 3.952 20 30 CHEDMP CC[N@@H+](CCC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000593661000 1127393762 /nfs/dbraw/zinc/39/37/62/1127393762.db2.gz VEXRWUFWBQVOCR-IRXDYDNUSA-N 2 1 291.483 3.703 20 30 CHEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000602459960 1127581976 /nfs/dbraw/zinc/58/19/76/1127581976.db2.gz PHVDYVLBWKTULX-QZTJIDSGSA-N 2 1 291.483 3.514 20 30 CHEDMP N#CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602542405 1127590271 /nfs/dbraw/zinc/59/02/71/1127590271.db2.gz WZTRMPWJXPIFQL-MJGOQNOKSA-N 2 1 297.446 3.638 20 30 CHEDMP N#CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602542405 1127590273 /nfs/dbraw/zinc/59/02/73/1127590273.db2.gz WZTRMPWJXPIFQL-MJGOQNOKSA-N 2 1 297.446 3.638 20 30 CHEDMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980673 1127649502 /nfs/dbraw/zinc/64/95/02/1127649502.db2.gz NQTNIZGWBQZRHY-ROUUACIJSA-N 2 1 299.462 3.884 20 30 CHEDMP CC[N@H+]1CC[C@@H](N(C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307159 1127852727 /nfs/dbraw/zinc/85/27/27/1127852727.db2.gz MOEFDDUDVQRTGE-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307159 1127852731 /nfs/dbraw/zinc/85/27/31/1127852731.db2.gz MOEFDDUDVQRTGE-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307159 1127852736 /nfs/dbraw/zinc/85/27/36/1127852736.db2.gz MOEFDDUDVQRTGE-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411307159 1127852740 /nfs/dbraw/zinc/85/27/40/1127852740.db2.gz MOEFDDUDVQRTGE-DLBZAZTESA-N 2 1 291.483 3.655 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](CC)C2)CC1 ZINC000544111902 1127959493 /nfs/dbraw/zinc/95/94/93/1127959493.db2.gz GYDZGDCNAAZTLE-IRXDYDNUSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000467415260 1127967978 /nfs/dbraw/zinc/96/79/78/1127967978.db2.gz YHMHMRYUFYBEJY-LWYYNNOASA-N 2 1 298.474 3.841 20 30 CHEDMP C=C(CC)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000540239541 1127971405 /nfs/dbraw/zinc/97/14/05/1127971405.db2.gz OFHBCPPAIRQIQM-UHFFFAOYSA-N 2 1 298.474 3.941 20 30 CHEDMP C=C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925254721 1128126975 /nfs/dbraw/zinc/12/69/75/1128126975.db2.gz ABUBFLCBOXPWMA-BPIHKTFHSA-N 2 1 284.447 3.736 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929408 1128396227 /nfs/dbraw/zinc/39/62/27/1128396227.db2.gz NZRZSVOXZAWTKU-ROUUACIJSA-N 2 1 278.484 3.835 20 30 CHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000574955608 1128665611 /nfs/dbraw/zinc/66/56/11/1128665611.db2.gz HQYAZEPNZLJMRX-UHFFFAOYSA-N 2 1 293.499 3.759 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471585253 1118469056 /nfs/dbraw/zinc/46/90/56/1118469056.db2.gz LBHRCHOTRVBNNJ-IEBWSBKVSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471585253 1118469058 /nfs/dbraw/zinc/46/90/58/1118469058.db2.gz LBHRCHOTRVBNNJ-IEBWSBKVSA-N 2 1 286.463 3.843 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986682 1119286271 /nfs/dbraw/zinc/28/62/71/1119286271.db2.gz IBTXKSAOEAQJHJ-HOTGVXAUSA-N 2 1 254.462 3.654 20 30 CHEDMP C=CC[C@H](CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000281690663 1119858576 /nfs/dbraw/zinc/85/85/76/1119858576.db2.gz SAJNVOJRCIDEGY-SFHVURJKSA-N 2 1 286.463 3.638 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398210904 1120593093 /nfs/dbraw/zinc/59/30/93/1120593093.db2.gz PNTWIOYJFALVSP-ZIFCJYIRSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398210904 1120593095 /nfs/dbraw/zinc/59/30/95/1120593095.db2.gz PNTWIOYJFALVSP-ZIFCJYIRSA-N 2 1 286.463 3.841 20 30 CHEDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001167825708 1121000259 /nfs/dbraw/zinc/00/02/59/1121000259.db2.gz KXQHDHUWKDIESZ-MRXNPFEDSA-N 2 1 287.451 3.501 20 30 CHEDMP CC[N@@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307163 1121563393 /nfs/dbraw/zinc/56/33/93/1121563393.db2.gz MOEFDDUDVQRTGE-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307163 1121563400 /nfs/dbraw/zinc/56/34/00/1121563400.db2.gz MOEFDDUDVQRTGE-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307163 1121563403 /nfs/dbraw/zinc/56/34/03/1121563403.db2.gz MOEFDDUDVQRTGE-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307163 1121563407 /nfs/dbraw/zinc/56/34/07/1121563407.db2.gz MOEFDDUDVQRTGE-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP C=CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716640505 1122522602 /nfs/dbraw/zinc/52/26/02/1122522602.db2.gz WSYZVXURICNHCI-UFYCRDLUSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CCC[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000439077101 1122750282 /nfs/dbraw/zinc/75/02/82/1122750282.db2.gz KGRAYIZUUGCNKO-KRWDZBQOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000439077101 1122750285 /nfs/dbraw/zinc/75/02/85/1122750285.db2.gz KGRAYIZUUGCNKO-KRWDZBQOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC001199037646 1123018614 /nfs/dbraw/zinc/01/86/14/1123018614.db2.gz BOMZCCXHOOSWKF-PKOBYXMFSA-N 2 1 286.463 3.843 20 30 CHEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157057997 1129120605 /nfs/dbraw/zinc/12/06/05/1129120605.db2.gz UHQDXJMYAYYGOK-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157057997 1129120609 /nfs/dbraw/zinc/12/06/09/1129120609.db2.gz UHQDXJMYAYYGOK-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157057997 1129120610 /nfs/dbraw/zinc/12/06/10/1129120610.db2.gz UHQDXJMYAYYGOK-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157057997 1129120614 /nfs/dbraw/zinc/12/06/14/1129120614.db2.gz UHQDXJMYAYYGOK-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157057997 1129120618 /nfs/dbraw/zinc/12/06/18/1129120618.db2.gz UHQDXJMYAYYGOK-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244512 1125245482 /nfs/dbraw/zinc/24/54/82/1125245482.db2.gz XBCZYDXBETYOIB-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244512 1125245485 /nfs/dbraw/zinc/24/54/85/1125245485.db2.gz XBCZYDXBETYOIB-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244512 1125245489 /nfs/dbraw/zinc/24/54/89/1125245489.db2.gz XBCZYDXBETYOIB-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000883192608 1125375948 /nfs/dbraw/zinc/37/59/48/1125375948.db2.gz DEWABXXBKLQPDZ-BHIYHBOVSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000883192608 1125375952 /nfs/dbraw/zinc/37/59/52/1125375952.db2.gz DEWABXXBKLQPDZ-BHIYHBOVSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000163500477 1129202636 /nfs/dbraw/zinc/20/26/36/1129202636.db2.gz QXNMMCKOQJBVTA-UHFFFAOYSA-N 2 1 283.419 3.660 20 30 CHEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000163500477 1129202638 /nfs/dbraw/zinc/20/26/38/1129202638.db2.gz QXNMMCKOQJBVTA-UHFFFAOYSA-N 2 1 283.419 3.660 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000181776037 1129587972 /nfs/dbraw/zinc/58/79/72/1129587972.db2.gz BTVINLJEJYLYQR-UHFFFAOYSA-N 2 1 286.463 3.594 20 30 CHEDMP C#CCCCCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168838566 1129675986 /nfs/dbraw/zinc/67/59/86/1129675986.db2.gz OKUANUPQRLRKSQ-UHFFFAOYSA-N 2 1 286.463 3.764 20 30 CHEDMP C=CCCCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769447863 1129910414 /nfs/dbraw/zinc/91/04/14/1129910414.db2.gz ZBRUEHMLJAEAAQ-UHFFFAOYSA-N 2 1 274.452 3.926 20 30 CHEDMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902819979 1130062306 /nfs/dbraw/zinc/06/23/06/1130062306.db2.gz YVCNSKUADSIHJJ-GOSISDBHSA-N 2 1 296.418 3.584 20 30 CHEDMP C=CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903185934 1130125929 /nfs/dbraw/zinc/12/59/29/1130125929.db2.gz HYEHEDKLOYYSGZ-ZNXRZULTSA-N 2 1 288.479 3.870 20 30 CHEDMP CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679824955 1130557990 /nfs/dbraw/zinc/55/79/90/1130557990.db2.gz QJTGCJYAEZYXED-LSDHHAIUSA-N 2 1 281.403 3.633 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995209 1130700957 /nfs/dbraw/zinc/70/09/57/1130700957.db2.gz YYDRWXZCIJHPRZ-QGZVFWFLSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017701 1130702634 /nfs/dbraw/zinc/70/26/34/1130702634.db2.gz NVFYBXHESRXCNT-DLBZAZTESA-N 2 1 266.473 3.811 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017701 1130702638 /nfs/dbraw/zinc/70/26/38/1130702638.db2.gz NVFYBXHESRXCNT-DLBZAZTESA-N 2 1 266.473 3.811 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235257196 1130729227 /nfs/dbraw/zinc/72/92/27/1130729227.db2.gz WRSKYMPSRNYTII-IRXDYDNUSA-N 2 1 264.457 3.587 20 30 CHEDMP N#CCC[N@H+](Cc1ccc(C[NH3+])cc1)C1CCCCCCC1 ZINC001235662927 1130762028 /nfs/dbraw/zinc/76/20/28/1130762028.db2.gz FKGWGYAHOIFFDG-UHFFFAOYSA-N 2 1 299.462 3.974 20 30 CHEDMP CCCCCCC[N@@H+](CC)Cc1ccc(C[NH3+])cc1 ZINC001235660897 1130763177 /nfs/dbraw/zinc/76/31/77/1130763177.db2.gz IHKOGDZHOFQCEE-UHFFFAOYSA-N 2 1 262.441 3.938 20 30 CHEDMP CCCCCCC[N@@H+](CC)Cc1cccc(C[NH3+])c1 ZINC001235663187 1130763342 /nfs/dbraw/zinc/76/33/42/1130763342.db2.gz VMFCUGAGRYCIDF-UHFFFAOYSA-N 2 1 262.441 3.938 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236044073 1130836010 /nfs/dbraw/zinc/83/60/10/1130836010.db2.gz JAQMYGFMDAUBEU-HOTGVXAUSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236044077 1130837915 /nfs/dbraw/zinc/83/79/15/1130837915.db2.gz JAQMYGFMDAUBEU-JKSUJKDBSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCCCCCCC[N@@H+](C)CCCC[NH3+] ZINC001236144560 1130876020 /nfs/dbraw/zinc/87/60/20/1130876020.db2.gz YPVIKMGVUYDXMI-UHFFFAOYSA-N 2 1 254.462 3.964 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236245953 1130904167 /nfs/dbraw/zinc/90/41/67/1130904167.db2.gz WKUAPYQMHZOJKP-MRXNPFEDSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236245953 1130904163 /nfs/dbraw/zinc/90/41/63/1130904163.db2.gz WKUAPYQMHZOJKP-MRXNPFEDSA-N 2 1 252.446 3.716 20 30 CHEDMP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364201 1130920195 /nfs/dbraw/zinc/92/01/95/1130920195.db2.gz WRCXVQGJHVTACS-QWHCGFSZSA-N 2 1 280.378 3.558 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364201 1130920199 /nfs/dbraw/zinc/92/01/99/1130920199.db2.gz WRCXVQGJHVTACS-QWHCGFSZSA-N 2 1 280.378 3.558 20 30 CHEDMP C=CCCCCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584515 1130980800 /nfs/dbraw/zinc/98/08/00/1130980800.db2.gz GIYDLZYHPAYISO-MRXNPFEDSA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCC[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769432 1131003849 /nfs/dbraw/zinc/00/38/49/1131003849.db2.gz VFGFYBUMMRMVDM-SHTZXODSSA-N 2 1 252.446 3.571 20 30 CHEDMP CCCCCCCC[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236830337 1131016559 /nfs/dbraw/zinc/01/65/59/1131016559.db2.gz NFYGUECFDXONNP-MRXNPFEDSA-N 2 1 254.462 3.668 20 30 CHEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541931 1131582535 /nfs/dbraw/zinc/58/25/35/1131582535.db2.gz HTYXSJLVIWLHLZ-MSOLQXFVSA-N 2 1 298.515 3.691 20 30 CHEDMP C#Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001144576532 1131661929 /nfs/dbraw/zinc/66/19/29/1131661929.db2.gz MJFQKNWDWNQZKR-VQTJNVASSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001144576532 1131661931 /nfs/dbraw/zinc/66/19/31/1131661931.db2.gz MJFQKNWDWNQZKR-VQTJNVASSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001144576532 1131661933 /nfs/dbraw/zinc/66/19/33/1131661933.db2.gz MJFQKNWDWNQZKR-VQTJNVASSA-N 2 1 296.458 3.507 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223351 1131701323 /nfs/dbraw/zinc/70/13/23/1131701323.db2.gz PWOQLAAVNYMSPC-BZSNNMDCSA-N 2 1 296.499 3.565 20 30 CHEDMP CCCCCCC[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246645637 1131771858 /nfs/dbraw/zinc/77/18/58/1131771858.db2.gz CTATUTGJSVRYPS-OAHLLOKOSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246646408 1131774760 /nfs/dbraw/zinc/77/47/60/1131774760.db2.gz DVLUJMREGJVJLA-MRXNPFEDSA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156641 1132125179 /nfs/dbraw/zinc/12/51/79/1132125179.db2.gz RQYDYUBKMLAEGH-CVEARBPZSA-N 2 1 272.452 3.888 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156641 1132125181 /nfs/dbraw/zinc/12/51/81/1132125181.db2.gz RQYDYUBKMLAEGH-CVEARBPZSA-N 2 1 272.452 3.888 20 30 CHEDMP CCCC[NH+](CCCC)CC[NH2+][C@@H](C)CCCC#N ZINC001172477872 1132228342 /nfs/dbraw/zinc/22/83/42/1132228342.db2.gz AYCVFNKNOIRZTL-INIZCTEOSA-N 2 1 267.461 3.561 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172505009 1132253820 /nfs/dbraw/zinc/25/38/20/1132253820.db2.gz KKCSIEGJQLPACD-MRXNPFEDSA-N 2 1 291.483 3.798 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257218 1133551530 /nfs/dbraw/zinc/55/15/30/1133551530.db2.gz UEELFVPYDLYNSD-INIZCTEOSA-N 2 1 254.462 3.940 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001205605004 1133593879 /nfs/dbraw/zinc/59/38/79/1133593879.db2.gz YNHMTEBKITUVOH-KBAYOESNSA-N 2 1 276.468 3.596 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205762380 1133610499 /nfs/dbraw/zinc/61/04/99/1133610499.db2.gz LRWNYPLTJMWZFR-OAHLLOKOSA-N 2 1 288.426 3.819 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981424 1133638181 /nfs/dbraw/zinc/63/81/81/1133638181.db2.gz CBMLAFSVKYJPMA-IRXDYDNUSA-N 2 1 266.473 3.820 20 30 CHEDMP C=CCC[N@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207483925 1133805297 /nfs/dbraw/zinc/80/52/97/1133805297.db2.gz JCYKXHOKRIWVII-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCCCCC[N@@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001209438961 1134020749 /nfs/dbraw/zinc/02/07/49/1134020749.db2.gz ZJBQTLOCJJIPMK-QGZVFWFLSA-N 2 1 288.435 3.980 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420853 1135239117 /nfs/dbraw/zinc/23/91/17/1135239117.db2.gz HPNTVJHZTCFLEI-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420853 1135239122 /nfs/dbraw/zinc/23/91/22/1135239122.db2.gz HPNTVJHZTCFLEI-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420851 1135240004 /nfs/dbraw/zinc/24/00/04/1135240004.db2.gz HPNTVJHZTCFLEI-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420851 1135240008 /nfs/dbraw/zinc/24/00/08/1135240008.db2.gz HPNTVJHZTCFLEI-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccco1 ZINC000286017607 264573863 /nfs/dbraw/zinc/57/38/63/264573863.db2.gz JNNMNZXCUGLAMB-GDBMZVCRSA-N 2 1 287.407 3.718 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cc2)CC1 ZINC000153028903 327308122 /nfs/dbraw/zinc/30/81/22/327308122.db2.gz FYRJERMGRKTSNL-SFHVURJKSA-N 2 1 290.426 3.907 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000180948427 329224172 /nfs/dbraw/zinc/22/41/72/329224172.db2.gz XJXALLOUYUOYEU-ZIAGYGMSSA-N 2 1 269.392 3.796 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccsc2)CC1 ZINC000453101693 331089164 /nfs/dbraw/zinc/08/91/64/331089164.db2.gz OORUJTIWNXDARX-MRXNPFEDSA-N 2 1 278.465 3.829 20 30 CHEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726283 331295947 /nfs/dbraw/zinc/29/59/47/331295947.db2.gz DSWKYXIBOQIJCJ-AEFFLSMTSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726283 331295948 /nfs/dbraw/zinc/29/59/48/331295948.db2.gz DSWKYXIBOQIJCJ-AEFFLSMTSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726287 331296008 /nfs/dbraw/zinc/29/60/08/331296008.db2.gz DSWKYXIBOQIJCJ-SJLPKXTDSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726287 331296009 /nfs/dbraw/zinc/29/60/09/331296009.db2.gz DSWKYXIBOQIJCJ-SJLPKXTDSA-N 2 1 299.462 3.569 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463246464 331344068 /nfs/dbraw/zinc/34/40/68/331344068.db2.gz CVJHTJMUTDONOL-YTQUADARSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463246464 331344069 /nfs/dbraw/zinc/34/40/69/331344069.db2.gz CVJHTJMUTDONOL-YTQUADARSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463274032 331344858 /nfs/dbraw/zinc/34/48/58/331344858.db2.gz BWQFUHRJFJJXPX-MJGOQNOKSA-N 2 1 286.463 3.985 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463274032 331344859 /nfs/dbraw/zinc/34/48/59/331344859.db2.gz BWQFUHRJFJJXPX-MJGOQNOKSA-N 2 1 286.463 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC2CCCC2)CC1 ZINC000468366748 331432888 /nfs/dbraw/zinc/43/28/88/331432888.db2.gz IKZAGKXWSWPWRF-INIZCTEOSA-N 2 1 278.484 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](CC)c2ccccc2)CC1 ZINC000502990669 332677781 /nfs/dbraw/zinc/67/77/81/332677781.db2.gz PQPRTZGQXGYNRM-KRWDZBQOSA-N 2 1 286.463 3.810 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000542700356 333836726 /nfs/dbraw/zinc/83/67/26/333836726.db2.gz RUKZTHZWXMDGAX-WBVHZDCISA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC000153034758 334548396 /nfs/dbraw/zinc/54/83/96/334548396.db2.gz PDRONXTVGVLQPK-MRXNPFEDSA-N 2 1 266.473 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000502991410 1122160685 /nfs/dbraw/zinc/16/06/85/1122160685.db2.gz SGKGSRNVQRMWJC-UHFFFAOYSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205605282 1122657070 /nfs/dbraw/zinc/65/70/70/1122657070.db2.gz ZSHXCBBIDVFHEA-IAGOWNOFSA-N 2 1 266.473 3.820 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000449130232 1124653323 /nfs/dbraw/zinc/65/33/23/1124653323.db2.gz GBMHKXKPDSUAAJ-IAGOWNOFSA-N 2 1 266.473 3.831 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000181511250 1126857084 /nfs/dbraw/zinc/85/70/84/1126857084.db2.gz NEWIUGVUFIALQE-SJORKVTESA-N 2 1 299.462 3.863 20 30 CHEDMP C=C(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485469035 1126918542 /nfs/dbraw/zinc/91/85/42/1126918542.db2.gz SGPSXVUIBPVSMV-UHFFFAOYSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccco1 ZINC000286017617 1127253539 /nfs/dbraw/zinc/25/35/39/1127253539.db2.gz JNNMNZXCUGLAMB-HOCLYGCPSA-N 2 1 287.407 3.718 20 30 CHEDMP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000602459961 1127582287 /nfs/dbraw/zinc/58/22/87/1127582287.db2.gz PHVDYVLBWKTULX-ROUUACIJSA-N 2 1 291.483 3.514 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602573033 1127594358 /nfs/dbraw/zinc/59/43/58/1127594358.db2.gz WZSBUVQRHIQWSM-GJZGRUSLSA-N 2 1 296.418 3.771 20 30 CHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109705 1127631133 /nfs/dbraw/zinc/63/11/33/1127631133.db2.gz FDNFAJREIPRXBR-QGZVFWFLSA-N 2 1 299.462 3.817 20 30 CHEDMP C=CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362397911 1127633284 /nfs/dbraw/zinc/63/32/84/1127633284.db2.gz TZPNYPFVELYZCZ-UHFFFAOYSA-N 2 1 284.447 3.551 20 30 CHEDMP C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1CCCC[NH+]1C ZINC000409446532 1127768782 /nfs/dbraw/zinc/76/87/82/1127768782.db2.gz ZHJPLEFMTNCCBA-INIZCTEOSA-N 2 1 279.472 3.513 20 30 CHEDMP C[NH+](CCCCC(C)(C)C#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000409446532 1127768784 /nfs/dbraw/zinc/76/87/84/1127768784.db2.gz ZHJPLEFMTNCCBA-INIZCTEOSA-N 2 1 279.472 3.513 20 30 CHEDMP C[NH+](CCCCC(C)(C)C#N)CC[C@@H]1CCCC[N@H+]1C ZINC000409446532 1127768786 /nfs/dbraw/zinc/76/87/86/1127768786.db2.gz ZHJPLEFMTNCCBA-INIZCTEOSA-N 2 1 279.472 3.513 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCCC)CC1 ZINC000468367501 1128003386 /nfs/dbraw/zinc/00/33/86/1128003386.db2.gz NBQLFRIUYPMMHL-AEFFLSMTSA-N 2 1 278.484 3.975 20 30 CHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000924957704 1128117939 /nfs/dbraw/zinc/11/79/39/1128117939.db2.gz HZEPKIWQXVFAQP-HNNXBMFYSA-N 2 1 287.451 3.556 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930001336 1128297023 /nfs/dbraw/zinc/29/70/23/1128297023.db2.gz UVSOAEOMNCKMSD-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930001336 1128297025 /nfs/dbraw/zinc/29/70/25/1128297025.db2.gz UVSOAEOMNCKMSD-SJORKVTESA-N 2 1 291.483 3.513 20 30 CHEDMP CCCCCCCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC001235435310 1128330489 /nfs/dbraw/zinc/33/04/89/1128330489.db2.gz IKQDTAPZGIMSKT-UHFFFAOYSA-N 2 1 292.467 3.816 20 30 CHEDMP C=CCC[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258014 1128561200 /nfs/dbraw/zinc/56/12/00/1128561200.db2.gz DPDSAOPRBYXCLK-SJORKVTESA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258014 1128561204 /nfs/dbraw/zinc/56/12/04/1128561204.db2.gz DPDSAOPRBYXCLK-SJORKVTESA-N 2 1 290.451 3.997 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000567258014 1128561207 /nfs/dbraw/zinc/56/12/07/1128561207.db2.gz DPDSAOPRBYXCLK-SJORKVTESA-N 2 1 290.451 3.997 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258049446 1128688965 /nfs/dbraw/zinc/68/89/65/1128688965.db2.gz HYLMCGDSZMMMQS-IRXDYDNUSA-N 2 1 266.473 3.763 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccco1 ZINC000643548476 1117799016 /nfs/dbraw/zinc/79/90/16/1117799016.db2.gz PZRVBTHQODJXOY-GJZGRUSLSA-N 2 1 274.408 3.551 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770108 1117856328 /nfs/dbraw/zinc/85/63/28/1117856328.db2.gz QUTPQZLUFVMDQK-SJORKVTESA-N 2 1 266.473 3.962 20 30 CHEDMP CCCCCCCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226437015 1118927601 /nfs/dbraw/zinc/92/76/01/1118927601.db2.gz PRFDYTHYDIEVHA-INIZCTEOSA-N 2 1 254.462 3.668 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000152933640 1119137037 /nfs/dbraw/zinc/13/70/37/1119137037.db2.gz KWIGNEMYMUMOBG-AWEZNQCLSA-N 2 1 278.465 3.748 20 30 CHEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000657890107 1119608959 /nfs/dbraw/zinc/60/89/59/1119608959.db2.gz QVTSWGIPKDCUEN-IRXDYDNUSA-N 2 1 275.440 3.696 20 30 CHEDMP CCCCCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129804881 1119635649 /nfs/dbraw/zinc/63/56/49/1119635649.db2.gz AJJTTZQJUXDOIB-CVEARBPZSA-N 2 1 254.462 3.809 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CC)CC1 ZINC000181746589 1120143199 /nfs/dbraw/zinc/14/31/99/1120143199.db2.gz QWWSITGXPCDCKF-WBVHZDCISA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543462078 1120528606 /nfs/dbraw/zinc/52/86/06/1120528606.db2.gz WJHPDZCPBQNOAT-BBWFWOEESA-N 2 1 278.484 3.974 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466482 1120981638 /nfs/dbraw/zinc/98/16/38/1120981638.db2.gz UMFUWHSOVMESRP-AEFFLSMTSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658115307 1121165837 /nfs/dbraw/zinc/16/58/37/1121165837.db2.gz UNORCKRFVXTOBE-GUDVDZBRSA-N 2 1 284.447 3.595 20 30 CHEDMP C=C(C)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512239950 1121218783 /nfs/dbraw/zinc/21/87/83/1121218783.db2.gz BSWOVBNRWFOFRI-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(C)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512239950 1121218788 /nfs/dbraw/zinc/21/87/88/1121218788.db2.gz BSWOVBNRWFOFRI-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(C)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512239950 1121218795 /nfs/dbraw/zinc/21/87/95/1121218795.db2.gz BSWOVBNRWFOFRI-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](C)C#N ZINC000411211989 1121537132 /nfs/dbraw/zinc/53/71/32/1121537132.db2.gz UCOYTIXRTLPFSQ-QGZVFWFLSA-N 2 1 299.462 3.654 20 30 CHEDMP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](C)C#N ZINC000411211989 1121537138 /nfs/dbraw/zinc/53/71/38/1121537138.db2.gz UCOYTIXRTLPFSQ-QGZVFWFLSA-N 2 1 299.462 3.654 20 30 CHEDMP C=CCC1([NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000625935101 1121553969 /nfs/dbraw/zinc/55/39/69/1121553969.db2.gz MTFIBYWOIZAFKV-UHFFFAOYSA-N 2 1 275.440 3.840 20 30 CHEDMP C=CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000850498620 1123275114 /nfs/dbraw/zinc/27/51/14/1123275114.db2.gz YEDFCXNYNDPOAZ-ALOPSCKCSA-N 2 1 276.468 3.728 20 30 CHEDMP C#C[C@](C)(CC)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168021950 1123429020 /nfs/dbraw/zinc/42/90/20/1123429020.db2.gz RNFNKXSEEXNWFR-MBOZVWFJSA-N 2 1 298.474 3.820 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000106245988 1124018742 /nfs/dbraw/zinc/01/87/42/1124018742.db2.gz LHVHDRPRXINJKW-UHFFFAOYSA-N 2 1 294.442 3.970 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449486743 1124765044 /nfs/dbraw/zinc/76/50/44/1124765044.db2.gz VCHUNTSAMBVGRD-AEFFLSMTSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530950220 1125189368 /nfs/dbraw/zinc/18/93/68/1125189368.db2.gz SUFPQGLKFCOLNX-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530950220 1125189371 /nfs/dbraw/zinc/18/93/71/1125189371.db2.gz SUFPQGLKFCOLNX-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530950220 1125189373 /nfs/dbraw/zinc/18/93/73/1125189373.db2.gz SUFPQGLKFCOLNX-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530950220 1125189374 /nfs/dbraw/zinc/18/93/74/1125189374.db2.gz SUFPQGLKFCOLNX-IEBWSBKVSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883167816 1125374406 /nfs/dbraw/zinc/37/44/06/1125374406.db2.gz ILCBLVSYWHJIBZ-IBGZPJMESA-N 2 1 298.474 3.780 20 30 CHEDMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000348047462 1129276670 /nfs/dbraw/zinc/27/66/70/1129276670.db2.gz NUDJUWSINUAMFH-IBGZPJMESA-N 2 1 299.462 3.501 20 30 CHEDMP CC(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047462 1129276672 /nfs/dbraw/zinc/27/66/72/1129276672.db2.gz NUDJUWSINUAMFH-IBGZPJMESA-N 2 1 299.462 3.501 20 30 CHEDMP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047462 1129276675 /nfs/dbraw/zinc/27/66/75/1129276675.db2.gz NUDJUWSINUAMFH-IBGZPJMESA-N 2 1 299.462 3.501 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639306472 1129301385 /nfs/dbraw/zinc/30/13/85/1129301385.db2.gz DOGOTHKTTBEDTL-AEFFLSMTSA-N 2 1 270.420 3.520 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639306472 1129301388 /nfs/dbraw/zinc/30/13/88/1129301388.db2.gz DOGOTHKTTBEDTL-AEFFLSMTSA-N 2 1 270.420 3.520 20 30 CHEDMP CCCCCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000740877665 1129423132 /nfs/dbraw/zinc/42/31/32/1129423132.db2.gz WGCIGGHWBLAUQR-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccco1 ZINC000643548475 1129445398 /nfs/dbraw/zinc/44/53/98/1129445398.db2.gz PZRVBTHQODJXOY-CABCVRRESA-N 2 1 274.408 3.551 20 30 CHEDMP CCCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169097531 1129696284 /nfs/dbraw/zinc/69/62/84/1129696284.db2.gz BAJDFUOOEZHMBR-PHZGNYQRSA-N 2 1 252.446 3.562 20 30 CHEDMP C=CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169124696 1129701693 /nfs/dbraw/zinc/70/16/93/1129701693.db2.gz SGKYGYHMQVQZQX-XMTFNYHQSA-N 2 1 270.420 3.519 20 30 CHEDMP CCCCCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139049 1129702465 /nfs/dbraw/zinc/70/24/65/1129702465.db2.gz LXIFHTCFVVRNBX-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139049 1129702460 /nfs/dbraw/zinc/70/24/60/1129702460.db2.gz LXIFHTCFVVRNBX-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139049 1129702463 /nfs/dbraw/zinc/70/24/63/1129702463.db2.gz LXIFHTCFVVRNBX-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP C=CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140646 1129706002 /nfs/dbraw/zinc/70/60/02/1129706002.db2.gz LCEBLSFBSLICHO-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CCC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140646 1129706003 /nfs/dbraw/zinc/70/60/03/1129706003.db2.gz LCEBLSFBSLICHO-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140646 1129706005 /nfs/dbraw/zinc/70/60/05/1129706005.db2.gz LCEBLSFBSLICHO-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CCC[NH3+] ZINC000903766076 1130196501 /nfs/dbraw/zinc/19/65/01/1130196501.db2.gz OBDHUSPFCNBOOG-IAGOWNOFSA-N 2 1 291.483 3.690 20 30 CHEDMP C=C(Cl)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000788647530 1130197813 /nfs/dbraw/zinc/19/78/13/1130197813.db2.gz VMWBMZUNTGIFQT-UHFFFAOYSA-N 2 1 292.854 3.772 20 30 CHEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000793526329 1130564475 /nfs/dbraw/zinc/56/44/75/1130564475.db2.gz QPQLMGWVZLHMEY-CVEARBPZSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000793526338 1130564719 /nfs/dbraw/zinc/56/47/19/1130564719.db2.gz QPQLMGWVZLHMEY-JKSUJKDBSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235150773 1130714370 /nfs/dbraw/zinc/71/43/70/1130714370.db2.gz ADQRAPWHRQEJQR-KRWDZBQOSA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235257198 1130729342 /nfs/dbraw/zinc/72/93/42/1130729342.db2.gz WRSKYMPSRNYTII-SJORKVTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405494 1130739296 /nfs/dbraw/zinc/73/92/96/1130739296.db2.gz PHXARJHFUITYAC-SJORKVTESA-N 2 1 284.463 3.761 20 30 CHEDMP C=CCCCCCCCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950782 1130815107 /nfs/dbraw/zinc/81/51/07/1130815107.db2.gz MRCLUUJVLPTIRP-QGZVFWFLSA-N 2 1 266.473 3.835 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236097516 1130860488 /nfs/dbraw/zinc/86/04/88/1130860488.db2.gz KQFNQXYCZUKXEB-SCOAYWHSSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236097516 1130860493 /nfs/dbraw/zinc/86/04/93/1130860493.db2.gz KQFNQXYCZUKXEB-SCOAYWHSSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314677 1130913489 /nfs/dbraw/zinc/91/34/89/1130913489.db2.gz RYEMAYDDKQVZTA-CALCHBBNSA-N 2 1 266.473 3.668 20 30 CHEDMP C#Cc1cccc(C[N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236779275 1131006640 /nfs/dbraw/zinc/00/66/40/1131006640.db2.gz GYURJERCJJRXJE-WGSAOQKQSA-N 2 1 298.474 3.786 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)CC1 ZINC001236826946 1131015404 /nfs/dbraw/zinc/01/54/04/1131015404.db2.gz DIZFSDASSAKZNJ-ZWKOTPCHSA-N 2 1 276.468 3.611 20 30 CHEDMP C=CC[N@H+](Cc1ccc(-n2ccnc2C)cc1)C(C)(C)C ZINC001138550428 1131519644 /nfs/dbraw/zinc/51/96/44/1131519644.db2.gz SMAYXMWJQNSKPY-UHFFFAOYSA-N 2 1 283.419 3.967 20 30 CHEDMP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)C ZINC001138550428 1131519647 /nfs/dbraw/zinc/51/96/47/1131519647.db2.gz SMAYXMWJQNSKPY-UHFFFAOYSA-N 2 1 283.419 3.967 20 30 CHEDMP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)C ZINC001138550428 1131519650 /nfs/dbraw/zinc/51/96/50/1131519650.db2.gz SMAYXMWJQNSKPY-UHFFFAOYSA-N 2 1 283.419 3.967 20 30 CHEDMP CCCCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246546186 1131594516 /nfs/dbraw/zinc/59/45/16/1131594516.db2.gz ZNQFEGXSHLQWTD-LUKYLMHMSA-N 2 1 266.473 3.652 20 30 CHEDMP CCCCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453653 1131785471 /nfs/dbraw/zinc/78/54/71/1131785471.db2.gz LXIFHTCFVVRNBX-SJPCQFCGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796453653 1131785473 /nfs/dbraw/zinc/78/54/73/1131785473.db2.gz LXIFHTCFVVRNBX-SJPCQFCGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796453653 1131785482 /nfs/dbraw/zinc/78/54/82/1131785482.db2.gz LXIFHTCFVVRNBX-SJPCQFCGSA-N 2 1 266.473 3.904 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718472 1132030693 /nfs/dbraw/zinc/03/06/93/1132030693.db2.gz ONHYGIVJFIOLQE-LULLPPNCSA-N 2 1 284.447 3.594 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156945 1132123812 /nfs/dbraw/zinc/12/38/12/1132123812.db2.gz UQGJPFSHRQBAGV-FHQWLQQXSA-N 2 1 270.436 3.664 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172354701 1132184033 /nfs/dbraw/zinc/18/40/33/1132184033.db2.gz KFQBBXUKIACIQL-IXDOHACOSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172354701 1132184036 /nfs/dbraw/zinc/18/40/36/1132184036.db2.gz KFQBBXUKIACIQL-IXDOHACOSA-N 2 1 266.473 3.619 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171419 1133540795 /nfs/dbraw/zinc/54/07/95/1133540795.db2.gz PZKYJNZVTXHJIO-HZPDHXFCSA-N 2 1 252.446 3.715 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904514 1133629005 /nfs/dbraw/zinc/62/90/05/1133629005.db2.gz VRYXSPWPPPXQDA-CVEARBPZSA-N 2 1 254.462 3.796 20 30 CHEDMP CCCCCCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582250 1133721791 /nfs/dbraw/zinc/72/17/91/1133721791.db2.gz NALCYXXPBPWSFR-MRXNPFEDSA-N 2 1 254.462 3.809 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606530 1133727095 /nfs/dbraw/zinc/72/70/95/1133727095.db2.gz OFAVXCXOHDNLKU-MRXNPFEDSA-N 2 1 252.446 3.574 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCn2c(C)ncc2C1 ZINC001209438215 1134020766 /nfs/dbraw/zinc/02/07/66/1134020766.db2.gz HTTWZSRWNXIDOX-UHFFFAOYSA-N 2 1 261.413 3.534 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222140954 1135198454 /nfs/dbraw/zinc/19/84/54/1135198454.db2.gz AONRBMOTYMIHTJ-KRWDZBQOSA-N 2 1 264.457 3.589 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238026 1135212557 /nfs/dbraw/zinc/21/25/57/1135212557.db2.gz YREBZDYCQPLYRN-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453102528 263187819 /nfs/dbraw/zinc/18/78/19/263187819.db2.gz PTIFJJWWOXKSTI-SFHVURJKSA-N 2 1 276.468 3.585 20 30 CHEDMP CC[N@@H+](CCC1CC[NH+](CCCCC#N)CC1)CC1CC1 ZINC000357089943 266245949 /nfs/dbraw/zinc/24/59/49/266245949.db2.gz VCHBFRSKXOUVKX-UHFFFAOYSA-N 2 1 291.483 3.514 20 30 CHEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366659096 328252877 /nfs/dbraw/zinc/25/28/77/328252877.db2.gz AHVHZNPZHAIFDU-KRWDZBQOSA-N 2 1 291.483 3.703 20 30 CHEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178708049 329202604 /nfs/dbraw/zinc/20/26/04/329202604.db2.gz KOPSTGFZYZUJFW-GOEBONIOSA-N 2 1 263.429 3.552 20 30 CHEDMP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccco1 ZINC000276423665 330113593 /nfs/dbraw/zinc/11/35/93/330113593.db2.gz HPXPDEIJSSMSJO-INIZCTEOSA-N 2 1 287.407 3.862 20 30 CHEDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423270072 330190812 /nfs/dbraw/zinc/19/08/12/330190812.db2.gz WMBQUPHOHJKSJN-QZTJIDSGSA-N 2 1 285.435 3.507 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527517844 330256866 /nfs/dbraw/zinc/25/68/66/330256866.db2.gz BNPJGXHFMLAMGX-UHFFFAOYSA-N 2 1 294.389 3.754 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453330472 331117708 /nfs/dbraw/zinc/11/77/08/331117708.db2.gz YZYXQTNMLUPECM-LDLYASANSA-N 2 1 284.447 3.738 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453384281 331126324 /nfs/dbraw/zinc/12/63/24/331126324.db2.gz ZNGFNWVZVSZKKV-REPLKXPHSA-N 2 1 284.447 3.738 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000468368734 331433028 /nfs/dbraw/zinc/43/30/28/331433028.db2.gz WJJYXXLOJDAVEF-VQTJNVASSA-N 2 1 298.474 3.953 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474713109 331595472 /nfs/dbraw/zinc/59/54/72/331595472.db2.gz WQNKNPRNLVUFKD-WMZOPIPTSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000488444823 332009528 /nfs/dbraw/zinc/00/95/28/332009528.db2.gz XCTAQHLBECXSRP-QGZVFWFLSA-N 2 1 264.457 3.683 20 30 CHEDMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833110 522632126 /nfs/dbraw/zinc/63/21/26/522632126.db2.gz UFUJGPUGRXJIHX-MJGOQNOKSA-N 2 1 299.462 3.719 20 30 CHEDMP CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246635730 1131751744 /nfs/dbraw/zinc/75/17/44/1131751744.db2.gz LAPNJBXSCPZQPS-SJORKVTESA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCCC[C@H](CC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172501995 1132251682 /nfs/dbraw/zinc/25/16/82/1132251682.db2.gz HHDFKMJFMAJOLM-KRWDZBQOSA-N 2 1 298.515 3.562 20 30 CHEDMP CCCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345220 1135229673 /nfs/dbraw/zinc/22/96/73/1135229673.db2.gz JLZZJGZPRYQJFJ-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345220 1135229679 /nfs/dbraw/zinc/22/96/79/1135229679.db2.gz JLZZJGZPRYQJFJ-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000153043333 1126757347 /nfs/dbraw/zinc/75/73/47/1126757347.db2.gz ZPZRWXWDSAOWLR-INIZCTEOSA-N 2 1 272.436 3.686 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918394 1126758521 /nfs/dbraw/zinc/75/85/21/1126758521.db2.gz DYTNBFTXJBUUQA-QRVBRYPASA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903172506 1126796708 /nfs/dbraw/zinc/79/67/08/1126796708.db2.gz ZMTYVRGGCVJUKZ-ZNXRZULTSA-N 2 1 276.468 3.870 20 30 CHEDMP C[C@@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185852089 1126903947 /nfs/dbraw/zinc/90/39/47/1126903947.db2.gz GDZNIBWUCBHKQW-WDSOQIARSA-N 2 1 299.462 3.569 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157549865 1127327747 /nfs/dbraw/zinc/32/77/47/1127327747.db2.gz AOOIEBCGQGVXEZ-YESZJQIVSA-N 2 1 266.473 3.952 20 30 CHEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535485 1127592328 /nfs/dbraw/zinc/59/23/28/1127592328.db2.gz OEGSYUHNTNFBHB-FUHWJXTLSA-N 2 1 291.483 3.561 20 30 CHEDMP C[C@@H](CC[NH2+]C1CCC(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000602574390 1127594269 /nfs/dbraw/zinc/59/42/69/1127594269.db2.gz ZUQKATHPDWJSKK-MUYFXNHWSA-N 2 1 299.462 3.569 20 30 CHEDMP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000296575199 1127676785 /nfs/dbraw/zinc/67/67/85/1127676785.db2.gz TXSBMHMOWLFYAA-WTXIUTQJSA-N 2 1 274.408 3.502 20 30 CHEDMP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000296575199 1127676788 /nfs/dbraw/zinc/67/67/88/1127676788.db2.gz TXSBMHMOWLFYAA-WTXIUTQJSA-N 2 1 274.408 3.502 20 30 CHEDMP CC[N@H+]1CC[C@@H](N(C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307160 1127853532 /nfs/dbraw/zinc/85/35/32/1127853532.db2.gz MOEFDDUDVQRTGE-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307160 1127853537 /nfs/dbraw/zinc/85/35/37/1127853537.db2.gz MOEFDDUDVQRTGE-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307160 1127853542 /nfs/dbraw/zinc/85/35/42/1127853542.db2.gz MOEFDDUDVQRTGE-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411307160 1127853548 /nfs/dbraw/zinc/85/35/48/1127853548.db2.gz MOEFDDUDVQRTGE-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000468368733 1128003281 /nfs/dbraw/zinc/00/32/81/1128003281.db2.gz WJJYXXLOJDAVEF-UXHICEINSA-N 2 1 298.474 3.953 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545271816 1128009467 /nfs/dbraw/zinc/00/94/67/1128009467.db2.gz KMYRWSRXGSQKEC-NEWSRXKRSA-N 2 1 286.463 3.841 20 30 CHEDMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443990568 1128110024 /nfs/dbraw/zinc/11/00/24/1128110024.db2.gz TWMDUKJXVIQYAV-QGZVFWFLSA-N 2 1 299.462 3.611 20 30 CHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929751255 1128285492 /nfs/dbraw/zinc/28/54/92/1128285492.db2.gz YOYSIRJOMUKNTJ-KRWDZBQOSA-N 2 1 291.483 3.514 20 30 CHEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929782509 1128287140 /nfs/dbraw/zinc/28/71/40/1128287140.db2.gz ZNQPPIJZBWMKRE-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929782509 1128287143 /nfs/dbraw/zinc/28/71/43/1128287143.db2.gz ZNQPPIJZBWMKRE-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131297673 1128613391 /nfs/dbraw/zinc/61/33/91/1128613391.db2.gz OVQWYPNYDDFUJY-UYAOXDASSA-N 2 1 298.474 3.953 20 30 CHEDMP C=C(Cl)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000763430272 1128569609 /nfs/dbraw/zinc/56/96/09/1128569609.db2.gz DJLPXDYQQOYYDG-HNNXBMFYSA-N 2 1 284.875 3.715 20 30 CHEDMP C=C(Cl)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763430272 1128569611 /nfs/dbraw/zinc/56/96/11/1128569611.db2.gz DJLPXDYQQOYYDG-HNNXBMFYSA-N 2 1 284.875 3.715 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCn2c(C)ncc2C1 ZINC001209442417 1118061292 /nfs/dbraw/zinc/06/12/92/1118061292.db2.gz IBSOGHCBDJIBAJ-UHFFFAOYSA-N 2 1 275.440 3.924 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000152958174 1119055321 /nfs/dbraw/zinc/05/53/21/1119055321.db2.gz QLVMZOICIWTSQN-KRWDZBQOSA-N 2 1 286.463 3.995 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000153016187 1119149993 /nfs/dbraw/zinc/14/99/93/1119149993.db2.gz UUESXVFWRZDXEE-MRXNPFEDSA-N 2 1 272.436 3.686 20 30 CHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCCC#N)CC1 ZINC000158946782 1119477385 /nfs/dbraw/zinc/47/73/85/1119477385.db2.gz RTQDPCYFWHYLRM-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP CCCCCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709906081 1121506577 /nfs/dbraw/zinc/50/65/77/1121506577.db2.gz WMROUWFAWMGCEV-UHFFFAOYSA-N 2 1 266.473 3.813 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000153022716 1129016231 /nfs/dbraw/zinc/01/62/31/1129016231.db2.gz QJWQDXGNKGVDDX-SJLPKXTDSA-N 2 1 276.468 3.585 20 30 CHEDMP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001179772136 1121905975 /nfs/dbraw/zinc/90/59/75/1121905975.db2.gz WVUWOXKWTLFSKP-IAGOWNOFSA-N 2 1 298.515 3.560 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201874792 1123157084 /nfs/dbraw/zinc/15/70/84/1123157084.db2.gz GLCIBIQFDOXEHK-UHFFFAOYSA-N 2 1 277.456 3.882 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201874792 1123157087 /nfs/dbraw/zinc/15/70/87/1123157087.db2.gz GLCIBIQFDOXEHK-UHFFFAOYSA-N 2 1 277.456 3.882 20 30 CHEDMP C=CC[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C(C)(C)C ZINC001168002690 1123171612 /nfs/dbraw/zinc/17/16/12/1123171612.db2.gz UMBWYCKQNKONCO-SJPCQFCGSA-N 2 1 276.468 3.678 20 30 CHEDMP C=CC[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(C)(C)C ZINC001168002690 1123171614 /nfs/dbraw/zinc/17/16/14/1123171614.db2.gz UMBWYCKQNKONCO-SJPCQFCGSA-N 2 1 276.468 3.678 20 30 CHEDMP C=CC[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)C ZINC001168002690 1123171617 /nfs/dbraw/zinc/17/16/17/1123171617.db2.gz UMBWYCKQNKONCO-SJPCQFCGSA-N 2 1 276.468 3.678 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000339070640 1123942044 /nfs/dbraw/zinc/94/20/44/1123942044.db2.gz CKSVZSHBXAASSM-LXZKKBNFSA-N 2 1 294.402 3.524 20 30 CHEDMP C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(C)oc2C)CC1 ZINC000447530027 1124480966 /nfs/dbraw/zinc/48/09/66/1124480966.db2.gz MZISVXXUAADXMZ-CQSZACIVSA-N 2 1 276.424 3.588 20 30 CHEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449084786 1124644045 /nfs/dbraw/zinc/64/40/45/1124644045.db2.gz YTKDUQDRJUBISQ-WWDZGPRUSA-N 2 1 291.483 3.561 20 30 CHEDMP C#CCCCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188480 1125018607 /nfs/dbraw/zinc/01/86/07/1125018607.db2.gz COLAGRJQWKRZJD-MSOLQXFVSA-N 2 1 290.495 3.813 20 30 CHEDMP C=CCC[NH+](C)Cc1cc(C#N)cc(C[N@@H+](C)CCC=C)c1 ZINC000878490125 1125156547 /nfs/dbraw/zinc/15/65/47/1125156547.db2.gz CRDIKOHBVFZLLJ-UHFFFAOYSA-N 2 1 297.446 3.574 20 30 CHEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950219 1125190046 /nfs/dbraw/zinc/19/00/46/1125190046.db2.gz SUFPQGLKFCOLNX-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950219 1125190049 /nfs/dbraw/zinc/19/00/49/1125190049.db2.gz SUFPQGLKFCOLNX-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950219 1125190053 /nfs/dbraw/zinc/19/00/53/1125190053.db2.gz SUFPQGLKFCOLNX-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530950219 1125190056 /nfs/dbraw/zinc/19/00/56/1125190056.db2.gz SUFPQGLKFCOLNX-HKUYNNGSSA-N 2 1 286.463 3.938 20 30 CHEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244508 1125245171 /nfs/dbraw/zinc/24/51/71/1125245171.db2.gz XBCZYDXBETYOIB-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532244508 1125245174 /nfs/dbraw/zinc/24/51/74/1125245174.db2.gz XBCZYDXBETYOIB-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000532244508 1125245178 /nfs/dbraw/zinc/24/51/78/1125245178.db2.gz XBCZYDXBETYOIB-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117442 1129284025 /nfs/dbraw/zinc/28/40/25/1129284025.db2.gz DFORTPFKXQCIML-MJGOQNOKSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639117442 1129284029 /nfs/dbraw/zinc/28/40/29/1129284029.db2.gz DFORTPFKXQCIML-MJGOQNOKSA-N 2 1 284.447 3.910 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246176605 1131376545 /nfs/dbraw/zinc/37/65/45/1131376545.db2.gz LZYAYIZZXKTSMC-HZPDHXFCSA-N 2 1 272.452 3.807 20 30 CHEDMP C=CCC[C@@H](C)[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001258736170 1129680717 /nfs/dbraw/zinc/68/07/17/1129680717.db2.gz NQEPAPWQJVSQAJ-OAHLLOKOSA-N 2 1 252.446 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@]2(C)CC)CC1 ZINC000651700459 1129744154 /nfs/dbraw/zinc/74/41/54/1129744154.db2.gz GCTHMXJQLJTMKP-IRXDYDNUSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651790345 1129748860 /nfs/dbraw/zinc/74/88/60/1129748860.db2.gz TVGUNLZLGXBJQV-HOJAQTOUSA-N 2 1 298.474 3.843 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903195981 1130127968 /nfs/dbraw/zinc/12/79/68/1130127968.db2.gz DSJXDOBWUKHKGF-XEHBXRSQSA-N 2 1 288.479 3.869 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000793521294 1130562472 /nfs/dbraw/zinc/56/24/72/1130562472.db2.gz JXRQXXDCZGWVMU-YESZJQIVSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033202 1130703129 /nfs/dbraw/zinc/70/31/29/1130703129.db2.gz UYDYWVRKGJXLFG-KRWDZBQOSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152740 1130715080 /nfs/dbraw/zinc/71/50/80/1130715080.db2.gz PBNUJUBMMDBHBM-QGZVFWFLSA-N 2 1 266.473 3.811 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235171494 1130717781 /nfs/dbraw/zinc/71/77/81/1130717781.db2.gz JWULWMIYGBYTAB-RTBURBONSA-N 2 1 288.479 3.897 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001235171494 1130717785 /nfs/dbraw/zinc/71/77/85/1130717785.db2.gz JWULWMIYGBYTAB-RTBURBONSA-N 2 1 288.479 3.897 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235256990 1130729371 /nfs/dbraw/zinc/72/93/71/1130729371.db2.gz VSSSYWBCNJUHQX-PIIXRYACSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235256990 1130729374 /nfs/dbraw/zinc/72/93/74/1130729374.db2.gz VSSSYWBCNJUHQX-PIIXRYACSA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365718 1130736999 /nfs/dbraw/zinc/73/69/99/1130736999.db2.gz PCTLJKYBYUYGKT-PMACEKPBSA-N 2 1 298.474 3.596 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC001235726313 1130773467 /nfs/dbraw/zinc/77/34/67/1130773467.db2.gz WKUAPYQMHZOJKP-INIZCTEOSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235726313 1130773473 /nfs/dbraw/zinc/77/34/73/1130773473.db2.gz WKUAPYQMHZOJKP-INIZCTEOSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012743 1130831156 /nfs/dbraw/zinc/83/11/56/1130831156.db2.gz PDSYYBSSKCSPOZ-UXHICEINSA-N 2 1 298.474 3.596 20 30 CHEDMP CCCCCCCCC[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223948 1130897406 /nfs/dbraw/zinc/89/74/06/1130897406.db2.gz RLHMLGZFLYSTQD-WKILWMFISA-N 2 1 254.462 3.939 20 30 CHEDMP C=CCCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379657 1130923011 /nfs/dbraw/zinc/92/30/11/1130923011.db2.gz DYCVTPQFSLRYPA-UHFFFAOYSA-N 2 1 290.426 3.594 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236407166 1130931035 /nfs/dbraw/zinc/93/10/35/1130931035.db2.gz CPNPGYAHMBYUEQ-SXSDINLZSA-N 2 1 266.473 3.835 20 30 CHEDMP CCCCCCCCCC[N@@H+](C)CCC1C[NH2+]C1 ZINC001236424150 1130937103 /nfs/dbraw/zinc/93/71/03/1130937103.db2.gz RQIMTFFRHZXERC-UHFFFAOYSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236604841 1130984054 /nfs/dbraw/zinc/98/40/54/1130984054.db2.gz PQFYVNKEGKBYES-KRWDZBQOSA-N 2 1 266.473 3.964 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2C)CC1 ZINC000815577649 1131003091 /nfs/dbraw/zinc/00/30/91/1131003091.db2.gz VXCFBWGZQAPENP-HNNXBMFYSA-N 2 1 290.426 3.825 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380210 1131093408 /nfs/dbraw/zinc/09/34/08/1131093408.db2.gz FZKSWQRWTQVONU-ROUUACIJSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543840 1131591044 /nfs/dbraw/zinc/59/10/44/1131591044.db2.gz OECCEYAVAUQUHB-ROUUACIJSA-N 2 1 298.515 3.691 20 30 CHEDMP C=CCCCC[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140026562 1131657757 /nfs/dbraw/zinc/65/77/57/1131657757.db2.gz LZHOINRRKPNRNU-UHFFFAOYSA-N 2 1 283.419 3.969 20 30 CHEDMP C=CCCCC[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140026562 1131657760 /nfs/dbraw/zinc/65/77/60/1131657760.db2.gz LZHOINRRKPNRNU-UHFFFAOYSA-N 2 1 283.419 3.969 20 30 CHEDMP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000834895123 1131720101 /nfs/dbraw/zinc/72/01/01/1131720101.db2.gz ZINFXVDHJDXRLR-XVLXNVKGSA-N 2 1 284.447 3.909 20 30 CHEDMP CCCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641757 1131765957 /nfs/dbraw/zinc/76/59/57/1131765957.db2.gz XPXCSRNGMWADNI-GVDBMIGSSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246641757 1131765983 /nfs/dbraw/zinc/76/59/83/1131765983.db2.gz XPXCSRNGMWADNI-GVDBMIGSSA-N 2 1 266.473 3.952 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716652858 1132028439 /nfs/dbraw/zinc/02/84/39/1132028439.db2.gz UPOIKBJDAGGSTF-FHWLQOOXSA-N 2 1 284.447 3.595 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC001205924681 1133631347 /nfs/dbraw/zinc/63/13/47/1133631347.db2.gz KIUMDDFUFWUXLS-SQNIBIBYSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCCCCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296416 1133685165 /nfs/dbraw/zinc/68/51/65/1133685165.db2.gz SPEQLPUIRACOSI-INIZCTEOSA-N 2 1 252.446 3.574 20 30 CHEDMP C=CCCCCCC[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206581012 1133722187 /nfs/dbraw/zinc/72/21/87/1133722187.db2.gz HGTDRWHMZYJIBM-KRWDZBQOSA-N 2 1 266.473 3.975 20 30 CHEDMP C=C(C)C[N@@H+](CC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291996 1133788551 /nfs/dbraw/zinc/78/85/51/1133788551.db2.gz HWTXKTUHWJAWBT-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP CCCCCCC/C=C/CN1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001208124697 1133881139 /nfs/dbraw/zinc/88/11/39/1133881139.db2.gz YMEWPDVKJHGSIO-BPRGGRAXSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001208124697 1133881142 /nfs/dbraw/zinc/88/11/42/1133881142.db2.gz YMEWPDVKJHGSIO-BPRGGRAXSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001208124697 1133881145 /nfs/dbraw/zinc/88/11/45/1133881145.db2.gz YMEWPDVKJHGSIO-BPRGGRAXSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001208124697 1133881151 /nfs/dbraw/zinc/88/11/51/1133881151.db2.gz YMEWPDVKJHGSIO-BPRGGRAXSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001208124697 1133881155 /nfs/dbraw/zinc/88/11/55/1133881155.db2.gz YMEWPDVKJHGSIO-BPRGGRAXSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209162893 1133982374 /nfs/dbraw/zinc/98/23/74/1133982374.db2.gz NOJFKFYWOJPGKQ-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCCCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161834 1135203273 /nfs/dbraw/zinc/20/32/73/1135203273.db2.gz REFVRBONAVJBRT-SFHVURJKSA-N 2 1 278.484 3.979 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)CC1 ZINC001222307853 1135221542 /nfs/dbraw/zinc/22/15/42/1135221542.db2.gz CKMYNFGUUIPYRF-RTBURBONSA-N 2 1 288.479 3.897 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614335 1135256105 /nfs/dbraw/zinc/25/61/05/1135256105.db2.gz CYXUCCPRIPNXSZ-DLBZAZTESA-N 2 1 266.473 3.811 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000160022479 264223566 /nfs/dbraw/zinc/22/35/66/264223566.db2.gz UWRLDMNKSHZJRK-SZMVWBNQSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000160022479 264223569 /nfs/dbraw/zinc/22/35/69/264223569.db2.gz UWRLDMNKSHZJRK-SZMVWBNQSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000274406983 327989687 /nfs/dbraw/zinc/98/96/87/327989687.db2.gz CPEFUDRMCCVTKI-UHFFFAOYSA-N 2 1 272.436 3.597 20 30 CHEDMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682807 328213860 /nfs/dbraw/zinc/21/38/60/328213860.db2.gz RZOLPNGUWHMNCU-OLZOCXBDSA-N 2 1 298.883 3.778 20 30 CHEDMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C[C@H]1c1ccccc1 ZINC000340393478 328269864 /nfs/dbraw/zinc/26/98/64/328269864.db2.gz PQJSIQQXIRVXNO-ROUUACIJSA-N 2 1 299.462 3.741 20 30 CHEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C[C@H]1c1ccccc1 ZINC000340393478 328269865 /nfs/dbraw/zinc/26/98/65/328269865.db2.gz PQJSIQQXIRVXNO-ROUUACIJSA-N 2 1 299.462 3.741 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272883052 330094239 /nfs/dbraw/zinc/09/42/39/330094239.db2.gz NTHMWTZQLDCQMQ-LZLYRXPVSA-N 2 1 272.436 3.594 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272883052 330094241 /nfs/dbraw/zinc/09/42/41/330094241.db2.gz NTHMWTZQLDCQMQ-LZLYRXPVSA-N 2 1 272.436 3.594 20 30 CHEDMP C=C(C)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274806337 330108100 /nfs/dbraw/zinc/10/81/00/330108100.db2.gz SUZPJCMLCZCUTH-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274806337 330108102 /nfs/dbraw/zinc/10/81/02/330108102.db2.gz SUZPJCMLCZCUTH-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000536893242 330362420 /nfs/dbraw/zinc/36/24/20/330362420.db2.gz LIOHQWKUKWIUHA-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000536893242 330362421 /nfs/dbraw/zinc/36/24/21/330362421.db2.gz LIOHQWKUKWIUHA-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000536893242 330362422 /nfs/dbraw/zinc/36/24/22/330362422.db2.gz LIOHQWKUKWIUHA-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479553445 331737163 /nfs/dbraw/zinc/73/71/63/331737163.db2.gz JRFKLDNKQPEQED-UHFFFAOYSA-N 2 1 297.446 3.525 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](CC)c2ccccc2)CC1 ZINC000502990670 332677764 /nfs/dbraw/zinc/67/77/64/332677764.db2.gz PQPRTZGQXGYNRM-QGZVFWFLSA-N 2 1 286.463 3.810 20 30 CHEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000513703567 333034080 /nfs/dbraw/zinc/03/40/80/333034080.db2.gz XLFUGJOOLGZHFV-KRWDZBQOSA-N 2 1 290.451 3.997 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000152983037 334535629 /nfs/dbraw/zinc/53/56/29/334535629.db2.gz BVFKLWPIVYUNBD-QGZVFWFLSA-N 2 1 286.463 3.995 20 30 CHEDMP C=CCCCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000577034029 335285868 /nfs/dbraw/zinc/28/58/68/335285868.db2.gz UYFONJRMOHDKAY-INIZCTEOSA-N 2 1 287.451 3.755 20 30 CHEDMP CCCCCCC[C@@H](CC)n1c[nH+]cc1CC[NH3+] ZINC001172346985 1132180688 /nfs/dbraw/zinc/18/06/88/1132180688.db2.gz OMTVBEOFALZHAS-CQSZACIVSA-N 2 1 251.418 3.696 20 30 CHEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000178643814 1126818353 /nfs/dbraw/zinc/81/83/53/1126818353.db2.gz HXSMBWIRHFYYBN-OAHLLOKOSA-N 2 1 297.446 3.616 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000181511568 1126857018 /nfs/dbraw/zinc/85/70/18/1126857018.db2.gz JHXGMLREGDUDCP-IRXDYDNUSA-N 2 1 299.462 3.721 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)c2cccnc2)CC1 ZINC000185384350 1126900013 /nfs/dbraw/zinc/90/00/13/1126900013.db2.gz QMHAYSSVPFLIOO-GOSISDBHSA-N 2 1 287.451 3.553 20 30 CHEDMP C[C@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185852108 1126904074 /nfs/dbraw/zinc/90/40/74/1126904074.db2.gz GDZNIBWUCBHKQW-NEWSRXKRSA-N 2 1 299.462 3.569 20 30 CHEDMP CCCCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000795320047 1129218421 /nfs/dbraw/zinc/21/84/21/1129218421.db2.gz BFGVAJDJXVQZKE-QGZVFWFLSA-N 2 1 266.473 3.765 20 30 CHEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602451010 1127577638 /nfs/dbraw/zinc/57/76/38/1127577638.db2.gz NKWHXDAKRXAFPE-KURKYZTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000602451010 1127577640 /nfs/dbraw/zinc/57/76/40/1127577640.db2.gz NKWHXDAKRXAFPE-KURKYZTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602451010 1127577643 /nfs/dbraw/zinc/57/76/43/1127577643.db2.gz NKWHXDAKRXAFPE-KURKYZTESA-N 2 1 291.483 3.513 20 30 CHEDMP N#CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602542407 1127590210 /nfs/dbraw/zinc/59/02/10/1127590210.db2.gz WZTRMPWJXPIFQL-PKOBYXMFSA-N 2 1 297.446 3.638 20 30 CHEDMP N#CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602542407 1127590214 /nfs/dbraw/zinc/59/02/14/1127590214.db2.gz WZTRMPWJXPIFQL-PKOBYXMFSA-N 2 1 297.446 3.638 20 30 CHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602533402 1127591325 /nfs/dbraw/zinc/59/13/25/1127591325.db2.gz GXTPVVMOOHXARD-INIZCTEOSA-N 2 1 287.451 3.556 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000411478174 1127861400 /nfs/dbraw/zinc/86/14/00/1127861400.db2.gz ROFJZTRGDJYGBG-KBPBESRZSA-N 2 1 282.391 3.524 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000468368732 1128003810 /nfs/dbraw/zinc/00/38/10/1128003810.db2.gz WJJYXXLOJDAVEF-PMACEKPBSA-N 2 1 298.474 3.953 20 30 CHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929751256 1128285598 /nfs/dbraw/zinc/28/55/98/1128285598.db2.gz YOYSIRJOMUKNTJ-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP CCC[NH+]1CCC([N@@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000929777730 1128286198 /nfs/dbraw/zinc/28/61/98/1128286198.db2.gz ODDMKKPEWQXXET-UHFFFAOYSA-N 2 1 291.483 3.657 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929409 1128396331 /nfs/dbraw/zinc/39/63/31/1128396331.db2.gz NZRZSVOXZAWTKU-ZWKOTPCHSA-N 2 1 278.484 3.835 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258044286 1128685937 /nfs/dbraw/zinc/68/59/37/1128685937.db2.gz LCFCMXXWRAEEPS-BBWFWOEESA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258044286 1128685938 /nfs/dbraw/zinc/68/59/38/1128685938.db2.gz LCFCMXXWRAEEPS-BBWFWOEESA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258044286 1128685941 /nfs/dbraw/zinc/68/59/41/1128685941.db2.gz LCFCMXXWRAEEPS-BBWFWOEESA-N 2 1 266.473 3.619 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364569 1128738669 /nfs/dbraw/zinc/73/86/69/1128738669.db2.gz YTDXLBPHVIDNIQ-UONOGXRCSA-N 2 1 292.389 3.725 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364569 1128738672 /nfs/dbraw/zinc/73/86/72/1128738672.db2.gz YTDXLBPHVIDNIQ-UONOGXRCSA-N 2 1 292.389 3.725 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2C)CC1 ZINC000153006642 1119150405 /nfs/dbraw/zinc/15/04/05/1119150405.db2.gz OUVWSXNDQPFEPC-QGZVFWFLSA-N 2 1 286.463 3.556 20 30 CHEDMP C[C@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157071193 1119383376 /nfs/dbraw/zinc/38/33/76/1119383376.db2.gz QQFKYVGGBQEODY-HKUYNNGSSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157071193 1119383380 /nfs/dbraw/zinc/38/33/80/1119383380.db2.gz QQFKYVGGBQEODY-HKUYNNGSSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@H]1C[C@@H]([N@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157071193 1119383385 /nfs/dbraw/zinc/38/33/85/1119383385.db2.gz QQFKYVGGBQEODY-HKUYNNGSSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157071193 1119383386 /nfs/dbraw/zinc/38/33/86/1119383386.db2.gz QQFKYVGGBQEODY-HKUYNNGSSA-N 2 1 299.462 3.665 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000657868643 1119573132 /nfs/dbraw/zinc/57/31/32/1119573132.db2.gz CHUQWCRAEKVZGW-UAGQMJEPSA-N 2 1 275.440 3.552 20 30 CHEDMP C=CCCCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472576939 1119968247 /nfs/dbraw/zinc/96/82/47/1119968247.db2.gz BFZFMAQOOHIBKI-MRXNPFEDSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000472576939 1119968251 /nfs/dbraw/zinc/96/82/51/1119968251.db2.gz BFZFMAQOOHIBKI-MRXNPFEDSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472576939 1119968253 /nfs/dbraw/zinc/96/82/53/1119968253.db2.gz BFZFMAQOOHIBKI-MRXNPFEDSA-N 2 1 252.446 3.539 20 30 CHEDMP C=C(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000509702517 1120061989 /nfs/dbraw/zinc/06/19/89/1120061989.db2.gz ZQWJYLOWOXTUHD-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000509702517 1120061993 /nfs/dbraw/zinc/06/19/93/1120061993.db2.gz ZQWJYLOWOXTUHD-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000509702517 1120061998 /nfs/dbraw/zinc/06/19/98/1120061998.db2.gz ZQWJYLOWOXTUHD-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000695861522 1120532683 /nfs/dbraw/zinc/53/26/83/1120532683.db2.gz BKDXDCSVKJIABL-MRXNPFEDSA-N 2 1 299.462 3.569 20 30 CHEDMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000344187598 1121115564 /nfs/dbraw/zinc/11/55/64/1121115564.db2.gz IBZNSTACLLLEEX-INIZCTEOSA-N 2 1 279.472 3.561 20 30 CHEDMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000344187598 1121115566 /nfs/dbraw/zinc/11/55/66/1121115566.db2.gz IBZNSTACLLLEEX-INIZCTEOSA-N 2 1 279.472 3.561 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709853051 1121372906 /nfs/dbraw/zinc/37/29/06/1121372906.db2.gz ZZTXBBNDNVPRQW-DLBZAZTESA-N 2 1 266.473 3.811 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(CC)cc2)CC1 ZINC000152949548 1129013899 /nfs/dbraw/zinc/01/38/99/1129013899.db2.gz FBTPQKRHTAKGPW-MRXNPFEDSA-N 2 1 286.463 3.940 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000152972744 1129014143 /nfs/dbraw/zinc/01/41/43/1129014143.db2.gz XINNBQKZWRWXBQ-MRXNPFEDSA-N 2 1 298.474 3.866 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccs2)CC1 ZINC000152985600 1129015362 /nfs/dbraw/zinc/01/53/62/1129015362.db2.gz KYAKDDBCCVFJKC-OAHLLOKOSA-N 2 1 278.465 3.829 20 30 CHEDMP C=CCC[C@@H](CC)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001181933372 1122097247 /nfs/dbraw/zinc/09/72/47/1122097247.db2.gz MHRTZFYBRKVEDG-SJORKVTESA-N 2 1 266.473 3.831 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542071 1122190276 /nfs/dbraw/zinc/19/02/76/1122190276.db2.gz QQTRLLKRULTAEC-INIZCTEOSA-N 2 1 254.462 3.798 20 30 CHEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000439084510 1122751453 /nfs/dbraw/zinc/75/14/53/1122751453.db2.gz LBCCTKVNHJGLLQ-WBVHZDCISA-N 2 1 264.457 3.585 20 30 CHEDMP CCCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368965 1122956026 /nfs/dbraw/zinc/95/60/26/1122956026.db2.gz PYTDEYDIWQBDMN-INIZCTEOSA-N 2 1 275.440 3.563 20 30 CHEDMP CCCCCCCN1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201788148 1123151960 /nfs/dbraw/zinc/15/19/60/1123151960.db2.gz YKMKAZGCYNJXLQ-GOSISDBHSA-N 2 1 296.499 3.532 20 30 CHEDMP CCCCCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201788148 1123151961 /nfs/dbraw/zinc/15/19/61/1123151961.db2.gz YKMKAZGCYNJXLQ-GOSISDBHSA-N 2 1 296.499 3.532 20 30 CHEDMP C=CC[N@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168065673 1123875119 /nfs/dbraw/zinc/87/51/19/1123875119.db2.gz XKZWKBKPQHFPND-HZPDHXFCSA-N 2 1 272.436 3.546 20 30 CHEDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511213 1124483177 /nfs/dbraw/zinc/48/31/77/1124483177.db2.gz SKPFORGXKYGIAD-APWZRJJASA-N 2 1 299.462 3.863 20 30 CHEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001246025919 1131275511 /nfs/dbraw/zinc/27/55/11/1131275511.db2.gz ZZOGWYDKHPYZBL-ROUUACIJSA-N 2 1 298.515 3.562 20 30 CHEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001246025919 1131275515 /nfs/dbraw/zinc/27/55/15/1131275515.db2.gz ZZOGWYDKHPYZBL-ROUUACIJSA-N 2 1 298.515 3.562 20 30 CHEDMP CC(C)C[N@@H+](CCCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879703015 1125226601 /nfs/dbraw/zinc/22/66/01/1125226601.db2.gz BPDHUVZFCBDXPJ-UHFFFAOYSA-N 2 1 293.499 3.616 20 30 CHEDMP CCC1([NH+]2CCCCC2)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000880254688 1125261180 /nfs/dbraw/zinc/26/11/80/1125261180.db2.gz LCNVRCPOALNFGH-UHFFFAOYSA-N 2 1 291.483 3.657 20 30 CHEDMP CCCCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000795320047 1129218418 /nfs/dbraw/zinc/21/84/18/1129218418.db2.gz BFGVAJDJXVQZKE-QGZVFWFLSA-N 2 1 266.473 3.765 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000795320047 1129218414 /nfs/dbraw/zinc/21/84/14/1129218414.db2.gz BFGVAJDJXVQZKE-QGZVFWFLSA-N 2 1 266.473 3.765 20 30 CHEDMP CCCCCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000744418863 1129576127 /nfs/dbraw/zinc/57/61/27/1129576127.db2.gz GHIVQDFFKOZWBQ-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000793521610 1130562601 /nfs/dbraw/zinc/56/26/01/1130562601.db2.gz CXBACIPXIXNEMH-BBWFWOEESA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000793521610 1130562604 /nfs/dbraw/zinc/56/26/04/1130562604.db2.gz CXBACIPXIXNEMH-BBWFWOEESA-N 2 1 264.457 3.728 20 30 CHEDMP C#CCCCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000758497604 1130615238 /nfs/dbraw/zinc/61/52/38/1130615238.db2.gz QTSKPEPRIDRWEQ-UHFFFAOYSA-N 2 1 286.463 3.538 20 30 CHEDMP C=CCCCCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191773 1130722909 /nfs/dbraw/zinc/72/29/09/1130722909.db2.gz YYHHDKBMSJTSCZ-UHFFFAOYSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191773 1130722914 /nfs/dbraw/zinc/72/29/14/1130722914.db2.gz YYHHDKBMSJTSCZ-UHFFFAOYSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209210 1130724708 /nfs/dbraw/zinc/72/47/08/1130724708.db2.gz JLYBGXREGZYBTA-SJORKVTESA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209210 1130724714 /nfs/dbraw/zinc/72/47/14/1130724714.db2.gz JLYBGXREGZYBTA-SJORKVTESA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235260999 1130729574 /nfs/dbraw/zinc/72/95/74/1130729574.db2.gz OVPXTOHNIMUPQV-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235394234 1130739273 /nfs/dbraw/zinc/73/92/73/1130739273.db2.gz CONCELJABRLPHV-LJFOUZCWSA-N 2 1 296.474 3.912 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711248 1130772341 /nfs/dbraw/zinc/77/23/41/1130772341.db2.gz OOTPOGNEYOEYJH-UHFFFAOYSA-N 2 1 264.457 3.589 20 30 CHEDMP C=CCCCCCCCC[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946949 1130812029 /nfs/dbraw/zinc/81/20/29/1130812029.db2.gz SWGQPOVMIGYUPY-UHFFFAOYSA-N 2 1 296.499 3.604 20 30 CHEDMP C=CCCCCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975802 1130821778 /nfs/dbraw/zinc/82/17/78/1130821778.db2.gz WYOKHWLZEHJRQD-UHFFFAOYSA-N 2 1 298.474 3.870 20 30 CHEDMP CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364200 1130920562 /nfs/dbraw/zinc/92/05/62/1130920562.db2.gz WRCXVQGJHVTACS-OLZOCXBDSA-N 2 1 280.378 3.558 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364200 1130920565 /nfs/dbraw/zinc/92/05/65/1130920565.db2.gz WRCXVQGJHVTACS-OLZOCXBDSA-N 2 1 280.378 3.558 20 30 CHEDMP CCCCCCCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633428 1130987018 /nfs/dbraw/zinc/98/70/18/1130987018.db2.gz HNJZWSNQYJVHGK-UHFFFAOYSA-N 2 1 266.473 3.953 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236821654 1131015043 /nfs/dbraw/zinc/01/50/43/1131015043.db2.gz WBFRMSSGNGDCTF-BBWFWOEESA-N 2 1 264.457 3.572 20 30 CHEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535476 1131573165 /nfs/dbraw/zinc/57/31/65/1131573165.db2.gz MHDLDFIYOQBLJF-SJORKVTESA-N 2 1 284.488 3.565 20 30 CHEDMP CCCCCCC[C@@H](CC)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246644609 1131765034 /nfs/dbraw/zinc/76/50/34/1131765034.db2.gz IJIYQKRWDGLRGL-HWOWSKLDSA-N 2 1 252.446 3.549 20 30 CHEDMP C=CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072900 1132121300 /nfs/dbraw/zinc/12/13/00/1132121300.db2.gz NVEZDDXVMVECFQ-LDLYASANSA-N 2 1 284.447 3.738 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156948 1132123115 /nfs/dbraw/zinc/12/31/15/1132123115.db2.gz UQGJPFSHRQBAGV-USQNJUIBSA-N 2 1 270.436 3.664 20 30 CHEDMP CCCCCCC[C@H](CC)[NH2+]CCn1cc[nH+]c1C ZINC001172347837 1132182038 /nfs/dbraw/zinc/18/20/38/1132182038.db2.gz ZRCZXLWTVZIWBG-INIZCTEOSA-N 2 1 265.445 3.920 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172487548 1132224239 /nfs/dbraw/zinc/22/42/39/1132224239.db2.gz BVNCNECXIWCURU-YQVWRLOYSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172487548 1132224246 /nfs/dbraw/zinc/22/42/46/1132224246.db2.gz BVNCNECXIWCURU-YQVWRLOYSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@@H](CCCC#N)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172492333 1132247357 /nfs/dbraw/zinc/24/73/57/1132247357.db2.gz MLXULZLAUXOIOG-KRWDZBQOSA-N 2 1 299.462 3.713 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500377 1132250337 /nfs/dbraw/zinc/25/03/37/1132250337.db2.gz NAKJASUUJJRXGJ-MJGOQNOKSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCCC#N)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172500377 1132250344 /nfs/dbraw/zinc/25/03/44/1132250344.db2.gz NAKJASUUJJRXGJ-MJGOQNOKSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCCC#N)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172500377 1132250347 /nfs/dbraw/zinc/25/03/47/1132250347.db2.gz NAKJASUUJJRXGJ-MJGOQNOKSA-N 2 1 299.462 3.523 20 30 CHEDMP CCCC[NH+]1CCC([N@@H+](C)C2CCC(C)(C#N)CC2)CC1 ZINC001173597174 1132497962 /nfs/dbraw/zinc/49/79/62/1132497962.db2.gz KWMKSOUKWFFIMO-UHFFFAOYSA-N 2 1 291.483 3.655 20 30 CHEDMP C=CC[N@H+](CC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC001208112604 1133879564 /nfs/dbraw/zinc/87/95/64/1133879564.db2.gz UZYACIXSWHHNDN-UHFFFAOYSA-N 2 1 264.457 3.539 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001208124698 1133881291 /nfs/dbraw/zinc/88/12/91/1133881291.db2.gz YMEWPDVKJHGSIO-NDZBKKTDSA-N 2 1 278.484 3.787 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3C[N@@H+](CCC)C[C@H]3C2)CC1 ZINC001208178253 1133898511 /nfs/dbraw/zinc/89/85/11/1133898511.db2.gz PFVKJRYMRDBXRO-QRVBRYPASA-N 2 1 288.479 3.563 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001208178314 1133899594 /nfs/dbraw/zinc/89/95/94/1133899594.db2.gz PXQCOMYBHUOOLT-GOSISDBHSA-N 2 1 288.479 3.707 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207355 1133987642 /nfs/dbraw/zinc/98/76/42/1133987642.db2.gz VLKHSYFHDWKMPL-PMACEKPBSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207355 1133987645 /nfs/dbraw/zinc/98/76/45/1133987645.db2.gz VLKHSYFHDWKMPL-PMACEKPBSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209201736 1133987799 /nfs/dbraw/zinc/98/77/99/1133987799.db2.gz PJHFXCRGZOMOIM-UHFFFAOYSA-N 2 1 286.463 3.939 20 30 CHEDMP C=CCCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209201736 1133987805 /nfs/dbraw/zinc/98/78/05/1133987805.db2.gz PJHFXCRGZOMOIM-UHFFFAOYSA-N 2 1 286.463 3.939 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000574458978 335021539 /nfs/dbraw/zinc/02/15/39/335021539.db2.gz FHMUJJSNWYQWKF-SFHVURJKSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000369947520 267278468 /nfs/dbraw/zinc/27/84/68/267278468.db2.gz GYDHOOBNKBTHSC-NSISKUIASA-N 2 1 298.474 3.809 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000152959871 327300231 /nfs/dbraw/zinc/30/02/31/327300231.db2.gz ISPUMBBCHNJYAM-IRXDYDNUSA-N 2 1 286.463 3.809 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000278699576 330118024 /nfs/dbraw/zinc/11/80/24/330118024.db2.gz KYXBWHFKICYQQO-IBGZPJMESA-N 2 1 297.446 3.639 20 30 CHEDMP C=C(CC)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453366239 331123286 /nfs/dbraw/zinc/12/32/86/331123286.db2.gz PJFITMQVMDIOFH-UHFFFAOYSA-N 2 1 286.463 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459396047 331279783 /nfs/dbraw/zinc/27/97/83/331279783.db2.gz DQKXGKAZMKETCT-UHFFFAOYSA-N 2 1 292.854 3.513 20 30 CHEDMP N#CCCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459600209 331290125 /nfs/dbraw/zinc/29/01/25/331290125.db2.gz ZMSVPYUNJFELER-LJQANCHMSA-N 2 1 297.446 3.638 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]CC[C@@H](C)CCC=C(C)C)CC1 ZINC000482254725 331829281 /nfs/dbraw/zinc/82/92/81/331829281.db2.gz IXZUIHNOKRVZJD-KRWDZBQOSA-N 2 1 278.484 3.999 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000488393695 332002893 /nfs/dbraw/zinc/00/28/93/332002893.db2.gz DUGONQMPPZIATG-QGZVFWFLSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000195137085 333246445 /nfs/dbraw/zinc/24/64/45/333246445.db2.gz CGFKDNPZKZKIMV-QUCCMNQESA-N 2 1 298.474 3.843 20 30 CHEDMP C=CCCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549363 333252873 /nfs/dbraw/zinc/25/28/73/333252873.db2.gz QZZHWEWDMIJGNB-IRXDYDNUSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CC[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552275452 334311648 /nfs/dbraw/zinc/31/16/48/334311648.db2.gz WGQXBEAJJFLGKX-IVMQYODDSA-N 2 1 286.463 3.984 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](CC)C2)CC1 ZINC000174363598 1121283587 /nfs/dbraw/zinc/28/35/87/1121283587.db2.gz UJJHMTZIPAYBFY-RDJZCZTQSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091334287 1125749347 /nfs/dbraw/zinc/74/93/47/1125749347.db2.gz XRCXZNVUWQZSLV-LJQANCHMSA-N 2 1 284.447 3.768 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000153043213 1126757760 /nfs/dbraw/zinc/75/77/60/1126757760.db2.gz ZPZRWXWDSAOWLR-MRXNPFEDSA-N 2 1 272.436 3.686 20 30 CHEDMP CCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000160850309 1126780750 /nfs/dbraw/zinc/78/07/50/1126780750.db2.gz BAJDFUOOEZHMBR-MQVJKMGUSA-N 2 1 252.446 3.562 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435761 1130940339 /nfs/dbraw/zinc/94/03/39/1130940339.db2.gz VNGDWXOWPSGFAG-MRXNPFEDSA-N 2 1 270.436 3.666 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435761 1130940343 /nfs/dbraw/zinc/94/03/43/1130940343.db2.gz VNGDWXOWPSGFAG-MRXNPFEDSA-N 2 1 270.436 3.666 20 30 CHEDMP CC[N@@H+](CCC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661001 1127393833 /nfs/dbraw/zinc/39/38/33/1127393833.db2.gz VEXRWUFWBQVOCR-SJORKVTESA-N 2 1 291.483 3.703 20 30 CHEDMP C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000602669407 1127604147 /nfs/dbraw/zinc/60/41/47/1127604147.db2.gz WKJAKTFOGBMDRF-KRWDZBQOSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000602669407 1127604148 /nfs/dbraw/zinc/60/41/48/1127604148.db2.gz WKJAKTFOGBMDRF-KRWDZBQOSA-N 2 1 299.462 3.523 20 30 CHEDMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)C#N ZINC000411786136 1127874554 /nfs/dbraw/zinc/87/45/54/1127874554.db2.gz MJUXHDXOMQAHND-UHFFFAOYSA-N 2 1 299.462 3.654 20 30 CHEDMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)C#N ZINC000411786136 1127874559 /nfs/dbraw/zinc/87/45/59/1127874559.db2.gz MJUXHDXOMQAHND-UHFFFAOYSA-N 2 1 299.462 3.654 20 30 CHEDMP C[N@@H+](CCCCC1(C#N)CCC1)CC[C@H]1CCCC[NH+]1C ZINC000929722341 1128054786 /nfs/dbraw/zinc/05/47/86/1128054786.db2.gz MFDNGJWGEJPOAI-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C=CCCCCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235174218 1128311907 /nfs/dbraw/zinc/31/19/07/1128311907.db2.gz SNDYCWYZKLMWOR-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623551187 1117871424 /nfs/dbraw/zinc/87/14/24/1117871424.db2.gz OLWNDVFBLQCAIV-ZWKOTPCHSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCCCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209443553 1118061198 /nfs/dbraw/zinc/06/11/98/1118061198.db2.gz VEIAQEPGCJXPRU-UHFFFAOYSA-N 2 1 264.457 3.683 20 30 CHEDMP C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668351 1118064068 /nfs/dbraw/zinc/06/40/68/1118064068.db2.gz NNQWAWRJRPOFMH-JKSUJKDBSA-N 2 1 291.483 3.559 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250830954 1119502356 /nfs/dbraw/zinc/50/23/56/1119502356.db2.gz RCGZYVRFJIZZKB-DLBZAZTESA-N 2 1 266.473 3.811 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280167526 1119808700 /nfs/dbraw/zinc/80/87/00/1119808700.db2.gz SRDKGCSDSKHDRJ-FUHWJXTLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280167526 1119808703 /nfs/dbraw/zinc/80/87/03/1119808703.db2.gz SRDKGCSDSKHDRJ-FUHWJXTLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390780512 1120978850 /nfs/dbraw/zinc/97/88/50/1120978850.db2.gz RREHZBZALPEEPD-JENIJYKNSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCCCC[N@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001167840685 1121052637 /nfs/dbraw/zinc/05/26/37/1121052637.db2.gz HLYQUMBQEUCLIG-INIZCTEOSA-N 2 1 254.462 3.785 20 30 CHEDMP C=C(C)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000509372364 1121557111 /nfs/dbraw/zinc/55/71/11/1121557111.db2.gz MFEIMESBBCUGFB-KRWDZBQOSA-N 2 1 278.484 3.929 20 30 CHEDMP C=CCCC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062017 1121593832 /nfs/dbraw/zinc/59/38/32/1121593832.db2.gz CYHGFZRAVYSIJD-UHFFFAOYSA-N 2 1 260.425 3.536 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000153022823 1129016054 /nfs/dbraw/zinc/01/60/54/1129016054.db2.gz QJWQDXGNKGVDDX-AEFFLSMTSA-N 2 1 276.468 3.585 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001201567264 1123125982 /nfs/dbraw/zinc/12/59/82/1123125982.db2.gz WGLOOZZIQASILD-KZNAEPCWSA-N 2 1 278.484 3.689 20 30 CHEDMP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168013669 1123309196 /nfs/dbraw/zinc/30/91/96/1123309196.db2.gz IIPWEJSBYACUAD-IZZQQSIFSA-N 2 1 299.462 3.711 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC2CCCC2)CC1 ZINC000156807565 1129117519 /nfs/dbraw/zinc/11/75/19/1129117519.db2.gz SPJGQDIENXKXSV-OAHLLOKOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000157058468 1129121049 /nfs/dbraw/zinc/12/10/49/1129121049.db2.gz UHQDXJMYAYYGOK-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058468 1129121052 /nfs/dbraw/zinc/12/10/52/1129121052.db2.gz UHQDXJMYAYYGOK-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058468 1129121056 /nfs/dbraw/zinc/12/10/56/1129121056.db2.gz UHQDXJMYAYYGOK-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058468 1129121060 /nfs/dbraw/zinc/12/10/60/1129121060.db2.gz UHQDXJMYAYYGOK-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157058468 1129121063 /nfs/dbraw/zinc/12/10/63/1129121063.db2.gz UHQDXJMYAYYGOK-WMZOPIPTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159051159 1129158184 /nfs/dbraw/zinc/15/81/84/1129158184.db2.gz NBVYVIUGZIKLDD-MRXNPFEDSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000449179871 1124666002 /nfs/dbraw/zinc/66/60/02/1124666002.db2.gz XIVFIRUVEFNOGY-MGNMYUMUSA-N 2 1 264.457 3.726 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000449179871 1124666004 /nfs/dbraw/zinc/66/60/04/1124666004.db2.gz XIVFIRUVEFNOGY-MGNMYUMUSA-N 2 1 264.457 3.726 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449487112 1124766321 /nfs/dbraw/zinc/76/63/21/1124766321.db2.gz WUVOCJNJRVYJNJ-FUHWJXTLSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449487112 1124766324 /nfs/dbraw/zinc/76/63/24/1124766324.db2.gz WUVOCJNJRVYJNJ-FUHWJXTLSA-N 2 1 286.463 3.841 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390851844 1125116174 /nfs/dbraw/zinc/11/61/74/1125116174.db2.gz DVKLTVJDKJYYBS-SFHVURJKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390851844 1125116176 /nfs/dbraw/zinc/11/61/76/1125116176.db2.gz DVKLTVJDKJYYBS-SFHVURJKSA-N 2 1 286.463 3.843 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113978 1131334843 /nfs/dbraw/zinc/33/48/43/1131334843.db2.gz OSCJVLRTCFUYKV-HOTGVXAUSA-N 2 1 272.452 3.807 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000883192610 1125375741 /nfs/dbraw/zinc/37/57/41/1125375741.db2.gz DEWABXXBKLQPDZ-QXAKKESOSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000883192610 1125375743 /nfs/dbraw/zinc/37/57/43/1125375743.db2.gz DEWABXXBKLQPDZ-QXAKKESOSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000883192611 1125376007 /nfs/dbraw/zinc/37/60/07/1125376007.db2.gz DEWABXXBKLQPDZ-UHOSZYNNSA-N 2 1 286.463 3.636 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000883192611 1125376011 /nfs/dbraw/zinc/37/60/11/1125376011.db2.gz DEWABXXBKLQPDZ-UHOSZYNNSA-N 2 1 286.463 3.636 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000740882200 1129422553 /nfs/dbraw/zinc/42/25/53/1129422553.db2.gz HIBAHMWRVYMRSW-JKSUJKDBSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740882200 1129422548 /nfs/dbraw/zinc/42/25/48/1129422548.db2.gz HIBAHMWRVYMRSW-JKSUJKDBSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000740882200 1129422551 /nfs/dbraw/zinc/42/25/51/1129422551.db2.gz HIBAHMWRVYMRSW-JKSUJKDBSA-N 2 1 254.462 3.761 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651700781 1129745203 /nfs/dbraw/zinc/74/52/03/1129745203.db2.gz SSLQIIGWHYDQAQ-WBVHZDCISA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000651758789 1129747998 /nfs/dbraw/zinc/74/79/98/1129747998.db2.gz NVQIVUYOKBGWFA-TVFCKZIOSA-N 2 1 290.495 3.974 20 30 CHEDMP CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000679824954 1130559006 /nfs/dbraw/zinc/55/90/06/1130559006.db2.gz QJTGCJYAEZYXED-HUUCEWRRSA-N 2 1 281.403 3.633 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000793521293 1130562275 /nfs/dbraw/zinc/56/22/75/1130562275.db2.gz JXRQXXDCZGWVMU-ULQDDVLXSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000793531133 1130571772 /nfs/dbraw/zinc/57/17/72/1130571772.db2.gz CZXAMLKALYNPBA-HRCADAONSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000793531133 1130571773 /nfs/dbraw/zinc/57/17/73/1130571773.db2.gz CZXAMLKALYNPBA-HRCADAONSA-N 2 1 252.446 3.584 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038294 1130705950 /nfs/dbraw/zinc/70/59/50/1130705950.db2.gz FMKNKWRKYWLFQM-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235261000 1130728815 /nfs/dbraw/zinc/72/88/15/1130728815.db2.gz OVPXTOHNIMUPQV-IAGOWNOFSA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235257195 1130730180 /nfs/dbraw/zinc/73/01/80/1130730180.db2.gz WRSKYMPSRNYTII-IAGOWNOFSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433684 1130743458 /nfs/dbraw/zinc/74/34/58/1130743458.db2.gz YDVZJQOTAONIIF-MDZDMXLPSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235810700 1130782230 /nfs/dbraw/zinc/78/22/30/1130782230.db2.gz MLNQOBSXMWQHGO-BJWYYQGGSA-N 2 1 264.457 3.857 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364199 1130920376 /nfs/dbraw/zinc/92/03/76/1130920376.db2.gz WRCXVQGJHVTACS-CHWSQXEVSA-N 2 1 280.378 3.558 20 30 CHEDMP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236364199 1130920373 /nfs/dbraw/zinc/92/03/73/1130920373.db2.gz WRCXVQGJHVTACS-CHWSQXEVSA-N 2 1 280.378 3.558 20 30 CHEDMP CCCCCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815143415 1130966348 /nfs/dbraw/zinc/96/63/48/1130966348.db2.gz KJSZMHOTOJASBZ-KRWDZBQOSA-N 2 1 266.473 3.765 20 30 CHEDMP C=CCCC[N@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782937 1131005936 /nfs/dbraw/zinc/00/59/36/1131005936.db2.gz MXVWTXDFCIKQAY-KOMQPUFPSA-N 2 1 252.446 3.713 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236820009 1131014789 /nfs/dbraw/zinc/01/47/89/1131014789.db2.gz PJSSABSYPOYFOD-JDAARJCASA-N 2 1 264.457 3.572 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236822526 1131014989 /nfs/dbraw/zinc/01/49/89/1131014989.db2.gz ZTHZCTPZHTWXFC-RCCFBDPRSA-N 2 1 278.484 3.962 20 30 CHEDMP C=CCCCCCCC[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236833739 1131017870 /nfs/dbraw/zinc/01/78/70/1131017870.db2.gz CDTGRIVFRHTTQW-QGZVFWFLSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCCCCCC[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236833736 1131018753 /nfs/dbraw/zinc/01/87/53/1131018753.db2.gz CDTGRIVFRHTTQW-KRWDZBQOSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCCCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001139360715 1131605172 /nfs/dbraw/zinc/60/51/72/1131605172.db2.gz FFVHIQSSUGWFGK-UHFFFAOYSA-N 2 1 269.392 3.660 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846227466 1131701970 /nfs/dbraw/zinc/70/19/70/1131701970.db2.gz RRTQREVVJLLCNO-KURKYZTESA-N 2 1 296.499 3.708 20 30 CHEDMP C=C(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970172 1132117762 /nfs/dbraw/zinc/11/77/62/1132117762.db2.gz ZFJJYOUJICXOOX-QGZVFWFLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128574 1132128184 /nfs/dbraw/zinc/12/81/84/1132128184.db2.gz SGUQPERGKBZIMQ-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128574 1132128189 /nfs/dbraw/zinc/12/81/89/1132128189.db2.gz SGUQPERGKBZIMQ-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128574 1132128190 /nfs/dbraw/zinc/12/81/90/1132128190.db2.gz SGUQPERGKBZIMQ-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCC(C)(C#N)CC2)CC1 ZINC001173596248 1132498977 /nfs/dbraw/zinc/49/89/77/1132498977.db2.gz PBEACUFHFILJLU-UHFFFAOYSA-N 2 1 291.483 3.511 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001204727854 1133479817 /nfs/dbraw/zinc/47/98/17/1133479817.db2.gz SCIAIJVXFBCKAJ-GOSISDBHSA-N 2 1 288.479 3.755 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763391 1133482239 /nfs/dbraw/zinc/48/22/39/1133482239.db2.gz IMSVYLRLJCMUNT-MRXNPFEDSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952157 1133967900 /nfs/dbraw/zinc/96/79/00/1133967900.db2.gz DAQHTFHWIHKSPW-LJQANCHMSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952157 1133967906 /nfs/dbraw/zinc/96/79/06/1133967906.db2.gz DAQHTFHWIHKSPW-LJQANCHMSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952157 1133967911 /nfs/dbraw/zinc/96/79/11/1133967911.db2.gz DAQHTFHWIHKSPW-LJQANCHMSA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164327 1133981879 /nfs/dbraw/zinc/98/18/79/1133981879.db2.gz AWPRCYRMBUZWAF-UXHICEINSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164327 1133981883 /nfs/dbraw/zinc/98/18/83/1133981883.db2.gz AWPRCYRMBUZWAF-UXHICEINSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164327 1133981889 /nfs/dbraw/zinc/98/18/89/1133981889.db2.gz AWPRCYRMBUZWAF-UXHICEINSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209163661 1133982134 /nfs/dbraw/zinc/98/21/34/1133982134.db2.gz GSIQGHVOAKJQFQ-UHFFFAOYSA-N 2 1 290.426 3.688 20 30 CHEDMP C=CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209163661 1133982138 /nfs/dbraw/zinc/98/21/38/1133982138.db2.gz GSIQGHVOAKJQFQ-UHFFFAOYSA-N 2 1 290.426 3.688 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222230757 1135211675 /nfs/dbraw/zinc/21/16/75/1135211675.db2.gz CTQVSIQPIXPYRN-MSOLQXFVSA-N 2 1 274.452 3.507 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222230757 1135211678 /nfs/dbraw/zinc/21/16/78/1135211678.db2.gz CTQVSIQPIXPYRN-MSOLQXFVSA-N 2 1 274.452 3.507 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000153016289 260680247 /nfs/dbraw/zinc/68/02/47/260680247.db2.gz UUESXVFWRZDXEE-INIZCTEOSA-N 2 1 272.436 3.686 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000369947521 267278142 /nfs/dbraw/zinc/27/81/42/267278142.db2.gz GYDHOOBNKBTHSC-PWIZWCRZSA-N 2 1 298.474 3.809 20 30 CHEDMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682806 328213929 /nfs/dbraw/zinc/21/39/29/328213929.db2.gz RZOLPNGUWHMNCU-CHWSQXEVSA-N 2 1 298.883 3.778 20 30 CHEDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423270071 330190497 /nfs/dbraw/zinc/19/04/97/330190497.db2.gz WMBQUPHOHJKSJN-MSOLQXFVSA-N 2 1 285.435 3.507 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459409144 331280290 /nfs/dbraw/zinc/28/02/90/331280290.db2.gz XRQITDVHQHFCOK-UHFFFAOYSA-N 2 1 292.854 3.513 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463274030 331344877 /nfs/dbraw/zinc/34/48/77/331344877.db2.gz BWQFUHRJFJJXPX-HKUYNNGSSA-N 2 1 286.463 3.985 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463274030 331344878 /nfs/dbraw/zinc/34/48/78/331344878.db2.gz BWQFUHRJFJJXPX-HKUYNNGSSA-N 2 1 286.463 3.985 20 30 CHEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185826177 333149716 /nfs/dbraw/zinc/14/97/16/333149716.db2.gz IAWMDQLNEDZWFG-IXDOHACOSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185826177 333149717 /nfs/dbraw/zinc/14/97/17/333149717.db2.gz IAWMDQLNEDZWFG-IXDOHACOSA-N 2 1 291.483 3.559 20 30 CHEDMP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935785 333240508 /nfs/dbraw/zinc/24/05/08/333240508.db2.gz UYQSYXVLQIXNQG-MOPGFXCFSA-N 2 1 286.463 3.843 20 30 CHEDMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299078 335152126 /nfs/dbraw/zinc/15/21/26/335152126.db2.gz PAXKZTXTPYQJOI-HOTGVXAUSA-N 2 1 293.499 3.662 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000136078797 334145982 /nfs/dbraw/zinc/14/59/82/334145982.db2.gz IMYMUWPHKODVRO-MRXNPFEDSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000153017710 334541042 /nfs/dbraw/zinc/54/10/42/334541042.db2.gz QIFNBMULWIGGDD-LJQANCHMSA-N 2 1 284.447 3.612 20 30 CHEDMP CCCCCCCCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660972 1131779569 /nfs/dbraw/zinc/77/95/69/1131779569.db2.gz QMPIDRMONWUGNO-QAETUUGQSA-N 2 1 266.473 3.937 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172345792 1132180577 /nfs/dbraw/zinc/18/05/77/1132180577.db2.gz COANLEKBDTTXJV-HZPDHXFCSA-N 2 1 254.462 3.667 20 30 CHEDMP C=C(C)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466841 1126787976 /nfs/dbraw/zinc/78/79/76/1126787976.db2.gz BNPXZLJZFUBEBG-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466841 1126787980 /nfs/dbraw/zinc/78/79/80/1126787980.db2.gz BNPXZLJZFUBEBG-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466841 1126787984 /nfs/dbraw/zinc/78/79/84/1126787984.db2.gz BNPXZLJZFUBEBG-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466841 1126787988 /nfs/dbraw/zinc/78/79/88/1126787988.db2.gz BNPXZLJZFUBEBG-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466841 1126787991 /nfs/dbraw/zinc/78/79/91/1126787991.db2.gz BNPXZLJZFUBEBG-RBUKOAKNSA-N 2 1 284.447 3.549 20 30 CHEDMP N#CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602542404 1127589901 /nfs/dbraw/zinc/58/99/01/1127589901.db2.gz WZTRMPWJXPIFQL-IEBWSBKVSA-N 2 1 297.446 3.638 20 30 CHEDMP N#CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602542404 1127589903 /nfs/dbraw/zinc/58/99/03/1127589903.db2.gz WZTRMPWJXPIFQL-IEBWSBKVSA-N 2 1 297.446 3.638 20 30 CHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602533408 1127591729 /nfs/dbraw/zinc/59/17/29/1127591729.db2.gz GXTPVVMOOHXARD-MRXNPFEDSA-N 2 1 287.451 3.556 20 30 CHEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535484 1127592398 /nfs/dbraw/zinc/59/23/98/1127592398.db2.gz OEGSYUHNTNFBHB-AEFFLSMTSA-N 2 1 291.483 3.561 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602573035 1127594413 /nfs/dbraw/zinc/59/44/13/1127594413.db2.gz WZSBUVQRHIQWSM-LSDHHAIUSA-N 2 1 296.418 3.771 20 30 CHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602590914 1127595185 /nfs/dbraw/zinc/59/51/85/1127595185.db2.gz DFWIVUSBJWNZNX-UHFFFAOYSA-N 2 1 299.462 3.699 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000605186655 1127731103 /nfs/dbraw/zinc/73/11/03/1127731103.db2.gz AJQWGLPVYRVCAG-KRWDZBQOSA-N 2 1 264.457 3.541 20 30 CHEDMP C[C@@H](CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000411350613 1127856701 /nfs/dbraw/zinc/85/67/01/1127856701.db2.gz SGQUCFVWBHJBBS-IRXDYDNUSA-N 2 1 291.483 3.655 20 30 CHEDMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000925185534 1128125222 /nfs/dbraw/zinc/12/52/22/1128125222.db2.gz MJYCLAPRHBWRPL-INIZCTEOSA-N 2 1 299.462 3.719 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000152992920 1128169189 /nfs/dbraw/zinc/16/91/89/1128169189.db2.gz AYWSQNFRXNHMBP-CQSZACIVSA-N 2 1 284.513 3.537 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235397884 1128327366 /nfs/dbraw/zinc/32/73/66/1128327366.db2.gz RHAVWSMCQWOVMJ-SJORKVTESA-N 2 1 296.474 3.912 20 30 CHEDMP C=CCCCCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC001209439495 1118059629 /nfs/dbraw/zinc/05/96/29/1118059629.db2.gz RIDINFAAFHYWCD-UHFFFAOYSA-N 2 1 266.473 3.787 20 30 CHEDMP C[C@@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157070723 1119382977 /nfs/dbraw/zinc/38/29/77/1119382977.db2.gz QQFKYVGGBQEODY-IEBWSBKVSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157070723 1119382980 /nfs/dbraw/zinc/38/29/80/1119382980.db2.gz QQFKYVGGBQEODY-IEBWSBKVSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@@H]1C[C@H]([N@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157070723 1119382982 /nfs/dbraw/zinc/38/29/82/1119382982.db2.gz QQFKYVGGBQEODY-IEBWSBKVSA-N 2 1 299.462 3.665 20 30 CHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCCC#N)CC[NH+]1Cc1ccccc1 ZINC000157070723 1119382984 /nfs/dbraw/zinc/38/29/84/1119382984.db2.gz QQFKYVGGBQEODY-IEBWSBKVSA-N 2 1 299.462 3.665 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628212110 1119558515 /nfs/dbraw/zinc/55/85/15/1119558515.db2.gz KGDVHRJFMYLOAR-KRWDZBQOSA-N 2 1 286.463 3.729 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000657890104 1119609309 /nfs/dbraw/zinc/60/93/09/1119609309.db2.gz QVTSWGIPKDCUEN-IAGOWNOFSA-N 2 1 275.440 3.696 20 30 CHEDMP C=CC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000281597099 1119855114 /nfs/dbraw/zinc/85/51/14/1119855114.db2.gz LYZPFKCODWCBMK-KRWDZBQOSA-N 2 1 272.436 3.595 20 30 CHEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903778167 1120189660 /nfs/dbraw/zinc/18/96/60/1120189660.db2.gz JVFQKLLWHBVDKF-GOSISDBHSA-N 2 1 291.483 3.547 20 30 CHEDMP C=CC[N@@H+](Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248593 1120911870 /nfs/dbraw/zinc/91/18/70/1120911870.db2.gz GZNXADYBVLZYEJ-UHFFFAOYSA-N 2 1 298.455 3.582 20 30 CHEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467661 1120983979 /nfs/dbraw/zinc/98/39/79/1120983979.db2.gz HBXUVJNEHCCXMN-ROUUACIJSA-N 2 1 278.484 3.833 20 30 CHEDMP C=C(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000675782702 1121356312 /nfs/dbraw/zinc/35/63/12/1121356312.db2.gz WYUQILWASJEUKA-UHFFFAOYSA-N 2 1 272.436 3.552 20 30 CHEDMP C=CCCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001175601835 1121383088 /nfs/dbraw/zinc/38/30/88/1121383088.db2.gz UQUPAMHLBWIPLV-UHFFFAOYSA-N 2 1 266.473 3.643 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542063 1122190578 /nfs/dbraw/zinc/19/05/78/1122190578.db2.gz QLLIKGJWCNJDOU-KRWDZBQOSA-N 2 1 266.473 3.964 20 30 CHEDMP C=CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159051269 1129157750 /nfs/dbraw/zinc/15/77/50/1129157750.db2.gz NBVYVIUGZIKLDD-INIZCTEOSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159060400 1129158096 /nfs/dbraw/zinc/15/80/96/1129158096.db2.gz VGFFJLGWPLPFEX-INIZCTEOSA-N 2 1 264.457 3.539 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000339070642 1123941930 /nfs/dbraw/zinc/94/19/30/1123941930.db2.gz CKSVZSHBXAASSM-YSVLISHTSA-N 2 1 294.402 3.524 20 30 CHEDMP C=C(C)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000509654769 1124500311 /nfs/dbraw/zinc/50/03/11/1124500311.db2.gz ASWPIBQSTFFVKG-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)CC(C)C ZINC000449074977 1124645652 /nfs/dbraw/zinc/64/56/52/1124645652.db2.gz LXQSRNFFCNSHDB-LXPRWKDFSA-N 2 1 293.499 3.805 20 30 CHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(C2=CCC[NH2+]CC2)cc1 ZINC001238949671 1131275812 /nfs/dbraw/zinc/27/58/12/1131275812.db2.gz ICEKEGVTEMTCOP-IBGZPJMESA-N 2 1 282.431 3.776 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449486744 1124765242 /nfs/dbraw/zinc/76/52/42/1124765242.db2.gz VCHUNTSAMBVGRD-FUHWJXTLSA-N 2 1 286.463 3.699 20 30 CHEDMP C#CCCCCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000877188483 1125019298 /nfs/dbraw/zinc/01/92/98/1125019298.db2.gz COLAGRJQWKRZJD-QZTJIDSGSA-N 2 1 290.495 3.813 20 30 CHEDMP C=CC[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878338063 1125141853 /nfs/dbraw/zinc/14/18/53/1125141853.db2.gz VGPLVOZUUFHVKR-INIZCTEOSA-N 2 1 287.451 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648445475 1125294323 /nfs/dbraw/zinc/29/43/23/1125294323.db2.gz MEFSYOKRWTUOMR-HXUWFJFHSA-N 2 1 298.474 3.564 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638611308 1129263646 /nfs/dbraw/zinc/26/36/46/1129263646.db2.gz TWROLNDGEQDMJC-KVSKMBFKSA-N 2 1 284.447 3.909 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638611308 1129263648 /nfs/dbraw/zinc/26/36/48/1129263648.db2.gz TWROLNDGEQDMJC-KVSKMBFKSA-N 2 1 284.447 3.909 20 30 CHEDMP CCCCCCC[N@@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139479 1129702138 /nfs/dbraw/zinc/70/21/38/1129702138.db2.gz NMWUJXSUHNNNQD-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139479 1129702141 /nfs/dbraw/zinc/70/21/41/1129702141.db2.gz NMWUJXSUHNNNQD-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139479 1129702143 /nfs/dbraw/zinc/70/21/43/1129702143.db2.gz NMWUJXSUHNNNQD-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[N@H+](CC)C1CC[NH+](CC)CC1 ZINC001169255011 1129712976 /nfs/dbraw/zinc/71/29/76/1129712976.db2.gz LXAJYIGBVMXPMB-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP CCCCCCC[N@@H+](CC)C1CC[NH+](CC)CC1 ZINC001169255011 1129712978 /nfs/dbraw/zinc/71/29/78/1129712978.db2.gz LXAJYIGBVMXPMB-UHFFFAOYSA-N 2 1 254.462 3.763 20 30 CHEDMP CCCCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000746670421 1129978558 /nfs/dbraw/zinc/97/85/58/1129978558.db2.gz ZYIYGKJXBHXKMW-KRWDZBQOSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746670421 1129978561 /nfs/dbraw/zinc/97/85/61/1129978561.db2.gz ZYIYGKJXBHXKMW-KRWDZBQOSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000746670421 1129978563 /nfs/dbraw/zinc/97/85/63/1129978563.db2.gz ZYIYGKJXBHXKMW-KRWDZBQOSA-N 2 1 266.473 3.621 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678769132 1130451773 /nfs/dbraw/zinc/45/17/73/1130451773.db2.gz LOYWLDJMIXBSDZ-OXJNMPFZSA-N 2 1 298.474 3.940 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000793526331 1130564823 /nfs/dbraw/zinc/56/48/23/1130564823.db2.gz QPQLMGWVZLHMEY-HOTGVXAUSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991496 1130699972 /nfs/dbraw/zinc/69/99/72/1130699972.db2.gz GHBFRGNFNDAIMU-SFHVURJKSA-N 2 1 278.484 3.979 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006634 1130703019 /nfs/dbraw/zinc/70/30/19/1130703019.db2.gz KQQVMWKEYWVIHT-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006634 1130703025 /nfs/dbraw/zinc/70/30/25/1130703025.db2.gz KQQVMWKEYWVIHT-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152731 1130714458 /nfs/dbraw/zinc/71/44/58/1130714458.db2.gz PBNUJUBMMDBHBM-KRWDZBQOSA-N 2 1 266.473 3.811 20 30 CHEDMP CCCCCCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191030 1130721310 /nfs/dbraw/zinc/72/13/10/1130721310.db2.gz NWEDKKRQVXZFJW-UHFFFAOYSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191030 1130721315 /nfs/dbraw/zinc/72/13/15/1130721315.db2.gz NWEDKKRQVXZFJW-UHFFFAOYSA-N 2 1 266.473 3.955 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235261091 1130729258 /nfs/dbraw/zinc/72/92/58/1130729258.db2.gz OVPXTOHNIMUPQV-IRXDYDNUSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402842 1130739159 /nfs/dbraw/zinc/73/91/59/1130739159.db2.gz JVXCBBUNSSTCLI-NUQYTELCSA-N 2 1 296.474 3.927 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402842 1130739165 /nfs/dbraw/zinc/73/91/65/1130739165.db2.gz JVXCBBUNSSTCLI-NUQYTELCSA-N 2 1 296.474 3.927 20 30 CHEDMP CCCCCCC[N@@H+](CC)Cc1nc2c(s1)C[NH2+]CC2 ZINC001235661979 1130762458 /nfs/dbraw/zinc/76/24/58/1130762458.db2.gz RWONODQXMRUOPI-UHFFFAOYSA-N 2 1 295.496 3.581 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235810805 1130781325 /nfs/dbraw/zinc/78/13/25/1130781325.db2.gz NXGLZYUSTHVOGV-RFVJJRFUSA-N 2 1 264.457 3.857 20 30 CHEDMP C=CCCCCCC[N@H+](CCC)C1CC[NH2+]CC1 ZINC001236180149 1130879497 /nfs/dbraw/zinc/87/94/97/1130879497.db2.gz BKMULFZEWZPETC-UHFFFAOYSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236414184 1130932770 /nfs/dbraw/zinc/93/27/70/1130932770.db2.gz KLKJNDUQTPRTIH-HZPDHXFCSA-N 2 1 252.446 3.715 20 30 CHEDMP C#Cc1ccc(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542225 1130968942 /nfs/dbraw/zinc/96/89/42/1130968942.db2.gz ZSCBQUTYLYPJAH-MXVIHJGJSA-N 2 1 296.458 3.540 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584523 1130980568 /nfs/dbraw/zinc/98/05/68/1130980568.db2.gz HIUBJGFLZVQUFN-ZWKOTPCHSA-N 2 1 288.479 3.753 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236821660 1131013865 /nfs/dbraw/zinc/01/38/65/1131013865.db2.gz WBFRMSSGNGDCTF-YESZJQIVSA-N 2 1 264.457 3.572 20 30 CHEDMP C=CC[N@@H+](Cc1cccc2cncn21)C1CCCCC1 ZINC001238115253 1131172393 /nfs/dbraw/zinc/17/23/93/1131172393.db2.gz GRCRBMILSWZDFW-UHFFFAOYSA-N 2 1 269.392 3.655 20 30 CHEDMP C=CC[N@H+](Cc1cccc2c[nH+]cn21)C1CCCCC1 ZINC001238115253 1131172397 /nfs/dbraw/zinc/17/23/97/1131172397.db2.gz GRCRBMILSWZDFW-UHFFFAOYSA-N 2 1 269.392 3.655 20 30 CHEDMP C=CC[N@@H+](Cc1cccc2c[nH+]cn21)C1CCCCC1 ZINC001238115253 1131172399 /nfs/dbraw/zinc/17/23/99/1131172399.db2.gz GRCRBMILSWZDFW-UHFFFAOYSA-N 2 1 269.392 3.655 20 30 CHEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246568244 1131637258 /nfs/dbraw/zinc/63/72/58/1131637258.db2.gz KSSLBYRVKBYQGP-JYJNAYRXSA-N 2 1 272.452 3.887 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246568244 1131637260 /nfs/dbraw/zinc/63/72/60/1131637260.db2.gz KSSLBYRVKBYQGP-JYJNAYRXSA-N 2 1 272.452 3.887 20 30 CHEDMP CCCCCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000772948032 1131720066 /nfs/dbraw/zinc/72/00/66/1131720066.db2.gz DHVCHRFBBCZGDN-JKSUJKDBSA-N 2 1 254.462 3.667 20 30 CHEDMP CCCCCCC[C@H](CC)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644491 1131770772 /nfs/dbraw/zinc/77/07/72/1131770772.db2.gz QQCCBTLPBRVFQJ-KRWDZBQOSA-N 2 1 296.499 3.580 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644491 1131770774 /nfs/dbraw/zinc/77/07/74/1131770774.db2.gz QQCCBTLPBRVFQJ-KRWDZBQOSA-N 2 1 296.499 3.580 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971517 1132117538 /nfs/dbraw/zinc/11/75/38/1132117538.db2.gz IZAZMUXKWGCODG-QGZVFWFLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128573 1132127292 /nfs/dbraw/zinc/12/72/92/1132127292.db2.gz SGUQPERGKBZIMQ-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128573 1132127294 /nfs/dbraw/zinc/12/72/94/1132127294.db2.gz SGUQPERGKBZIMQ-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128573 1132127296 /nfs/dbraw/zinc/12/72/96/1132127296.db2.gz SGUQPERGKBZIMQ-BWTSREIZSA-N 2 1 284.447 3.690 20 30 CHEDMP CCCCCCC[N@H+](CC)C1CC[NH+](CCCOC)CC1 ZINC001172255485 1132151714 /nfs/dbraw/zinc/15/17/14/1132151714.db2.gz SMDMFUKNMCPWLX-UHFFFAOYSA-N 2 1 298.515 3.780 20 30 CHEDMP CCCCCCC[N@@H+](CC)C1CC[NH+](CCCOC)CC1 ZINC001172255485 1132151718 /nfs/dbraw/zinc/15/17/18/1132151718.db2.gz SMDMFUKNMCPWLX-UHFFFAOYSA-N 2 1 298.515 3.780 20 30 CHEDMP CCCCCCC[C@H](CC)n1c[nH+]cc1CC[NH3+] ZINC001172346984 1132180204 /nfs/dbraw/zinc/18/02/04/1132180204.db2.gz OMTVBEOFALZHAS-AWEZNQCLSA-N 2 1 251.418 3.696 20 30 CHEDMP CCCC[NH+](CCCC)CC[NH2+][C@H](C)CCCC#N ZINC001172477873 1132227823 /nfs/dbraw/zinc/22/78/23/1132227823.db2.gz AYCVFNKNOIRZTL-MRXNPFEDSA-N 2 1 267.461 3.561 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172479123 1132228156 /nfs/dbraw/zinc/22/81/56/1132228156.db2.gz JSBHGRVHXOCACV-AOIWGVFYSA-N 2 1 299.462 3.711 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172479123 1132228160 /nfs/dbraw/zinc/22/81/60/1132228160.db2.gz JSBHGRVHXOCACV-AOIWGVFYSA-N 2 1 299.462 3.711 20 30 CHEDMP C=CC[N@H+](C1CCC([NH+](CC)CC)CC1)C(C)(C)C ZINC001173113853 1132394682 /nfs/dbraw/zinc/39/46/82/1132394682.db2.gz MZBIZCKQIPBYEL-UHFFFAOYSA-N 2 1 266.473 3.926 20 30 CHEDMP CCCCCCCC[C@@H](CCC)[NH2+]C1(C[NH3+])CC1 ZINC001173309819 1132449513 /nfs/dbraw/zinc/44/95/13/1132449513.db2.gz LVRGGIBCHQFPFV-OAHLLOKOSA-N 2 1 254.462 3.987 20 30 CHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001162403562 1133075507 /nfs/dbraw/zinc/07/55/07/1133075507.db2.gz FHPKQSHINVSQFN-NZSAHSFTSA-N 2 1 299.462 3.691 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727847 1133479558 /nfs/dbraw/zinc/47/95/58/1133479558.db2.gz RUQNJUJTXBLBRC-UHFFFAOYSA-N 2 1 278.484 3.979 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904515 1133628911 /nfs/dbraw/zinc/62/89/11/1133628911.db2.gz VRYXSPWPPPXQDA-HOTGVXAUSA-N 2 1 254.462 3.796 20 30 CHEDMP CCCCCCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582248 1133721673 /nfs/dbraw/zinc/72/16/73/1133721673.db2.gz NALCYXXPBPWSFR-INIZCTEOSA-N 2 1 254.462 3.809 20 30 CHEDMP C=CCCCCC[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206579895 1133721776 /nfs/dbraw/zinc/72/17/76/1133721776.db2.gz ARFOFUWSRMGXDC-INIZCTEOSA-N 2 1 252.446 3.585 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001207899769 1133860011 /nfs/dbraw/zinc/86/00/11/1133860011.db2.gz LMVFVZFYZMIDHP-HDICACEKSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957511 1133968924 /nfs/dbraw/zinc/96/89/24/1133968924.db2.gz LJCCRHOSAHZEPL-GOSISDBHSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957511 1133968927 /nfs/dbraw/zinc/96/89/27/1133968927.db2.gz LJCCRHOSAHZEPL-GOSISDBHSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957511 1133968930 /nfs/dbraw/zinc/96/89/30/1133968930.db2.gz LJCCRHOSAHZEPL-GOSISDBHSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001208957511 1133968935 /nfs/dbraw/zinc/96/89/35/1133968935.db2.gz LJCCRHOSAHZEPL-GOSISDBHSA-N 2 1 286.463 3.795 20 30 CHEDMP C=CCCCCC[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209427280 1134017411 /nfs/dbraw/zinc/01/74/11/1134017411.db2.gz MOHMNLWRAVIEGD-UHFFFAOYSA-N 2 1 266.473 3.785 20 30 CHEDMP C=CCCCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161624 1135203351 /nfs/dbraw/zinc/20/33/51/1135203351.db2.gz QHIYWYJIMDGFKP-KRWDZBQOSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222230970 1135210968 /nfs/dbraw/zinc/21/09/68/1135210968.db2.gz HWBQDIFWAJYORA-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCCCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335317 1135227784 /nfs/dbraw/zinc/22/77/84/1135227784.db2.gz GHJGQUJSPUHMSF-UHFFFAOYSA-N 2 1 278.484 3.979 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465607 1135244601 /nfs/dbraw/zinc/24/46/01/1135244601.db2.gz VXCWAUCYNMAQIG-KRWDZBQOSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465607 1135244608 /nfs/dbraw/zinc/24/46/08/1135244608.db2.gz VXCWAUCYNMAQIG-KRWDZBQOSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615403 1135256663 /nfs/dbraw/zinc/25/66/63/1135256663.db2.gz POLQEDDCSZCKDX-IBHATUTGSA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614579 1135256873 /nfs/dbraw/zinc/25/68/73/1135256873.db2.gz HDGOQDUPBUBHEN-ZWKOTPCHSA-N 2 1 278.484 3.977 20 30 CHEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCC#N)CC1 ZINC000284323479 263086356 /nfs/dbraw/zinc/08/63/56/263086356.db2.gz ZYBKALKOKCYDLH-UHFFFAOYSA-N 2 1 299.462 3.713 20 30 CHEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178708020 329202677 /nfs/dbraw/zinc/20/26/77/329202677.db2.gz KOPSTGFZYZUJFW-ZBFHGGJFSA-N 2 1 263.429 3.552 20 30 CHEDMP C=CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265770447 330063017 /nfs/dbraw/zinc/06/30/17/330063017.db2.gz IRVRBLKESTVQKU-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265770447 330063018 /nfs/dbraw/zinc/06/30/18/330063018.db2.gz IRVRBLKESTVQKU-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000265770447 330063020 /nfs/dbraw/zinc/06/30/20/330063020.db2.gz IRVRBLKESTVQKU-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000265770447 330063021 /nfs/dbraw/zinc/06/30/21/330063021.db2.gz IRVRBLKESTVQKU-SJLPKXTDSA-N 2 1 272.436 3.547 20 30 CHEDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423270073 330190741 /nfs/dbraw/zinc/19/07/41/330190741.db2.gz WMBQUPHOHJKSJN-ROUUACIJSA-N 2 1 285.435 3.507 20 30 CHEDMP C=C(CC)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000536893244 330362452 /nfs/dbraw/zinc/36/24/52/330362452.db2.gz LIOHQWKUKWIUHA-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000536893244 330362453 /nfs/dbraw/zinc/36/24/53/330362453.db2.gz LIOHQWKUKWIUHA-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000536893244 330362454 /nfs/dbraw/zinc/36/24/54/330362454.db2.gz LIOHQWKUKWIUHA-IRXDYDNUSA-N 2 1 264.457 3.539 20 30 CHEDMP N#CCCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459600208 331290120 /nfs/dbraw/zinc/29/01/20/331290120.db2.gz ZMSVPYUNJFELER-IBGZPJMESA-N 2 1 297.446 3.638 20 30 CHEDMP C=CCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000488444822 332009374 /nfs/dbraw/zinc/00/93/74/332009374.db2.gz XCTAQHLBECXSRP-KRWDZBQOSA-N 2 1 264.457 3.683 20 30 CHEDMP C=CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000488467084 332012122 /nfs/dbraw/zinc/01/21/22/332012122.db2.gz QOSQBMLUCWKLLZ-HZPDHXFCSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000488467084 332012123 /nfs/dbraw/zinc/01/21/23/332012123.db2.gz QOSQBMLUCWKLLZ-HZPDHXFCSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000488467084 332012124 /nfs/dbraw/zinc/01/21/24/332012124.db2.gz QOSQBMLUCWKLLZ-HZPDHXFCSA-N 2 1 252.446 3.537 20 30 CHEDMP CC(C)(C#N)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000232530805 333338298 /nfs/dbraw/zinc/33/82/98/333338298.db2.gz ORBVPBYLXQKKGL-UHFFFAOYSA-N 2 1 291.483 3.657 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551174886 334240083 /nfs/dbraw/zinc/24/00/83/334240083.db2.gz HPMCYYFRWSKRNQ-MSOLQXFVSA-N 2 1 272.436 3.768 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551174886 334240084 /nfs/dbraw/zinc/24/00/84/334240084.db2.gz HPMCYYFRWSKRNQ-MSOLQXFVSA-N 2 1 272.436 3.768 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000153022588 334542928 /nfs/dbraw/zinc/54/29/28/334542928.db2.gz QJWQDXGNKGVDDX-WMZOPIPTSA-N 2 1 276.468 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)CCCC)CC1 ZINC000153035130 334548659 /nfs/dbraw/zinc/54/86/59/334548659.db2.gz OMTGKBHPDBXRQJ-HNNXBMFYSA-N 2 1 252.446 3.585 20 30 CHEDMP C=C[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353408152 527570290 /nfs/dbraw/zinc/57/02/90/527570290.db2.gz YWWOUPCADSWUAJ-ZLPCBKJTSA-N 2 1 272.436 3.594 20 30 CHEDMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000924784244 1126773960 /nfs/dbraw/zinc/77/39/60/1126773960.db2.gz CMFDLYABNWPDJY-MRXNPFEDSA-N 2 1 299.462 3.719 20 30 CHEDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000178643803 1126818039 /nfs/dbraw/zinc/81/80/39/1126818039.db2.gz HXSMBWIRHFYYBN-HNNXBMFYSA-N 2 1 297.446 3.616 20 30 CHEDMP C[C@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185852070 1126904222 /nfs/dbraw/zinc/90/42/22/1126904222.db2.gz GDZNIBWUCBHKQW-NZSAHSFTSA-N 2 1 299.462 3.569 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235256986 1130728724 /nfs/dbraw/zinc/72/87/24/1130728724.db2.gz VSSSYWBCNJUHQX-IBHATUTGSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235256986 1130728728 /nfs/dbraw/zinc/72/87/28/1130728728.db2.gz VSSSYWBCNJUHQX-IBHATUTGSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429800 1130744365 /nfs/dbraw/zinc/74/43/65/1130744365.db2.gz ZWAATVYUDDITOS-DLBZAZTESA-N 2 1 266.473 3.668 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000286275066 1127264273 /nfs/dbraw/zinc/26/42/73/1127264273.db2.gz VNJBNIOESXGBKZ-CVEARBPZSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000286275066 1127264275 /nfs/dbraw/zinc/26/42/75/1127264275.db2.gz VNJBNIOESXGBKZ-CVEARBPZSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000358325514 1127415297 /nfs/dbraw/zinc/41/52/97/1127415297.db2.gz DYTNBFTXJBUUQA-QYZOEREBSA-N 2 1 284.447 3.910 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602563918 1127593677 /nfs/dbraw/zinc/59/36/77/1127593677.db2.gz IBBOYRQNEJHINX-ZIFCJYIRSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602563918 1127593679 /nfs/dbraw/zinc/59/36/79/1127593679.db2.gz IBBOYRQNEJHINX-ZIFCJYIRSA-N 2 1 299.462 3.569 20 30 CHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)CCC#N)CC1)CC(C)C ZINC000411438211 1127860306 /nfs/dbraw/zinc/86/03/06/1127860306.db2.gz BLGVZXHVNFCPAW-QGZVFWFLSA-N 2 1 293.499 3.759 20 30 CHEDMP CC[C@@H](CC#N)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719918264 1127868385 /nfs/dbraw/zinc/86/83/85/1127868385.db2.gz RMYMJJNSXCZUOX-IBGZPJMESA-N 2 1 299.462 3.523 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000540147719 1127962753 /nfs/dbraw/zinc/96/27/53/1127962753.db2.gz PWPVSUASAPKXII-AEFFLSMTSA-N 2 1 278.484 3.689 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC2CCCC2)CC1 ZINC000468366749 1128003597 /nfs/dbraw/zinc/00/35/97/1128003597.db2.gz IKZAGKXWSWPWRF-MRXNPFEDSA-N 2 1 278.484 3.975 20 30 CHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000924957715 1128117998 /nfs/dbraw/zinc/11/79/98/1128117998.db2.gz HZEPKIWQXVFAQP-OAHLLOKOSA-N 2 1 287.451 3.556 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235255191 1128316686 /nfs/dbraw/zinc/31/66/86/1128316686.db2.gz LPXOBLNEVTZXLV-QZTJIDSGSA-N 2 1 278.484 3.977 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](C)CCCC)CC1 ZINC000567273094 1128561115 /nfs/dbraw/zinc/56/11/15/1128561115.db2.gz XETORJBXHCEYQD-CVEARBPZSA-N 2 1 266.473 3.831 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157744733 1128662336 /nfs/dbraw/zinc/66/23/36/1128662336.db2.gz MQUZITCUZLYBOY-XHSDSOJGSA-N 2 1 254.462 3.808 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157744733 1128662338 /nfs/dbraw/zinc/66/23/38/1128662338.db2.gz MQUZITCUZLYBOY-XHSDSOJGSA-N 2 1 254.462 3.808 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562638 1117872661 /nfs/dbraw/zinc/87/26/61/1117872661.db2.gz YGAIGXJPQZQVSA-BZUAXINKSA-N 2 1 264.457 3.584 20 30 CHEDMP C=CCCCCCCC[NH+]1CCC([N@H+](C)CC)CC1 ZINC001209442432 1118060935 /nfs/dbraw/zinc/06/09/35/1118060935.db2.gz RUMIYFOJKPTXAM-UHFFFAOYSA-N 2 1 266.473 3.929 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000518510296 1118791228 /nfs/dbraw/zinc/79/12/28/1118791228.db2.gz HRAOFPWXOQIDIR-LGMDPLHJSA-N 2 1 284.447 3.720 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000328167412 1120166185 /nfs/dbraw/zinc/16/61/85/1120166185.db2.gz JPMMHBBFDOTIIS-LBPRGKRZSA-N 2 1 299.245 3.599 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000328167412 1120166189 /nfs/dbraw/zinc/16/61/89/1120166189.db2.gz JPMMHBBFDOTIIS-LBPRGKRZSA-N 2 1 299.245 3.599 20 30 CHEDMP C=CCCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821380 1120573600 /nfs/dbraw/zinc/57/36/00/1120573600.db2.gz NXNDBPHHWOBLGH-UHFFFAOYSA-N 2 1 287.451 3.586 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709853057 1121373288 /nfs/dbraw/zinc/37/32/88/1121373288.db2.gz ZZTXBBNDNVPRQW-SJORKVTESA-N 2 1 266.473 3.811 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661419 1121517393 /nfs/dbraw/zinc/51/73/93/1121517393.db2.gz SCWCSYFAGCYADZ-FRYIKTPZSA-N 2 1 298.474 3.841 20 30 CHEDMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433018484 1121519091 /nfs/dbraw/zinc/51/90/91/1121519091.db2.gz HUCIJKJNLOLKRS-GOSISDBHSA-N 2 1 296.418 3.606 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474706760 1123574106 /nfs/dbraw/zinc/57/41/06/1123574106.db2.gz HUVIFKHITUOSDJ-IBGZPJMESA-N 2 1 286.463 3.666 20 30 CHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000859213890 1123691117 /nfs/dbraw/zinc/69/11/17/1123691117.db2.gz BUAZRVNLVVDVHJ-UHFFFAOYSA-N 2 1 287.451 3.510 20 30 CHEDMP C=CCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000863542618 1123875313 /nfs/dbraw/zinc/87/53/13/1123875313.db2.gz QZLMTPKKXYHMBQ-SJORKVTESA-N 2 1 270.420 3.568 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390909139 1125115547 /nfs/dbraw/zinc/11/55/47/1125115547.db2.gz UZPAYBCAYRTTQR-GOSISDBHSA-N 2 1 286.463 3.843 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390909139 1125115551 /nfs/dbraw/zinc/11/55/51/1125115551.db2.gz UZPAYBCAYRTTQR-GOSISDBHSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CC[C@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574328 1125163334 /nfs/dbraw/zinc/16/33/34/1125163334.db2.gz QBNNWXZQFNULNS-GOEBONIOSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574328 1125163339 /nfs/dbraw/zinc/16/33/39/1125163339.db2.gz QBNNWXZQFNULNS-GOEBONIOSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574328 1125163341 /nfs/dbraw/zinc/16/33/41/1125163341.db2.gz QBNNWXZQFNULNS-GOEBONIOSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000878574328 1125163347 /nfs/dbraw/zinc/16/33/47/1125163347.db2.gz QBNNWXZQFNULNS-GOEBONIOSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000878574328 1125163352 /nfs/dbraw/zinc/16/33/52/1125163352.db2.gz QBNNWXZQFNULNS-GOEBONIOSA-N 2 1 292.492 3.775 20 30 CHEDMP CCCCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128118451 1125240606 /nfs/dbraw/zinc/24/06/06/1125240606.db2.gz GFDGWSHEZHJANM-IAGOWNOFSA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000795320046 1129218906 /nfs/dbraw/zinc/21/89/06/1129218906.db2.gz BFGVAJDJXVQZKE-KRWDZBQOSA-N 2 1 266.473 3.765 20 30 CHEDMP CCCCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000795320046 1129218911 /nfs/dbraw/zinc/21/89/11/1129218911.db2.gz BFGVAJDJXVQZKE-KRWDZBQOSA-N 2 1 266.473 3.765 20 30 CHEDMP CCCCCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000795320046 1129218915 /nfs/dbraw/zinc/21/89/15/1129218915.db2.gz BFGVAJDJXVQZKE-KRWDZBQOSA-N 2 1 266.473 3.765 20 30 CHEDMP CCCCCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741790799 1129453318 /nfs/dbraw/zinc/45/33/18/1129453318.db2.gz LVZKXTHLBNEYHJ-JKSUJKDBSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741790799 1129453319 /nfs/dbraw/zinc/45/33/19/1129453319.db2.gz LVZKXTHLBNEYHJ-JKSUJKDBSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741790799 1129453321 /nfs/dbraw/zinc/45/33/21/1129453321.db2.gz LVZKXTHLBNEYHJ-JKSUJKDBSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741790799 1129453322 /nfs/dbraw/zinc/45/33/22/1129453322.db2.gz LVZKXTHLBNEYHJ-JKSUJKDBSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250795133 1129497794 /nfs/dbraw/zinc/49/77/94/1129497794.db2.gz AOOIEBCGQGVXEZ-ULQDDVLXSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005822 1129857211 /nfs/dbraw/zinc/85/72/11/1129857211.db2.gz MFPYAMCBSLCKQA-ZDUSSCGKSA-N 2 1 294.443 3.548 20 30 CHEDMP C=CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216451 1130131287 /nfs/dbraw/zinc/13/12/87/1130131287.db2.gz AZEFDDVVCYVIEL-ZXFUBFMLSA-N 2 1 276.468 3.726 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030918 1130703380 /nfs/dbraw/zinc/70/33/80/1130703380.db2.gz IGRKUXMIXOMRBC-IJDCCNJMSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235090924 1130709648 /nfs/dbraw/zinc/70/96/48/1130709648.db2.gz UAGLQJFPPSALKZ-OAHLLOKOSA-N 2 1 288.426 3.668 20 30 CHEDMP C=CCCCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235150774 1130714067 /nfs/dbraw/zinc/71/40/67/1130714067.db2.gz ADQRAPWHRQEJQR-QGZVFWFLSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235257902 1130729925 /nfs/dbraw/zinc/72/99/25/1130729925.db2.gz JSRCTQZUXNBOIS-DLBZAZTESA-N 2 1 266.473 3.811 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235337913 1130733347 /nfs/dbraw/zinc/73/33/47/1130733347.db2.gz LVIYXZCXGKABNR-KRWDZBQOSA-N 2 1 278.484 3.835 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424769 1130742139 /nfs/dbraw/zinc/74/21/39/1130742139.db2.gz JOPWJXVPJGZGLN-MSOLQXFVSA-N 2 1 278.484 3.835 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC001236212112 1130889503 /nfs/dbraw/zinc/88/95/03/1130889503.db2.gz DLTBPEMTSRZXBN-WWDZGPRUSA-N 2 1 276.468 3.751 20 30 CHEDMP C=CCCC[N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518774 1130961731 /nfs/dbraw/zinc/96/17/31/1130961731.db2.gz WRJIOFDPEFXFCL-UHFFFAOYSA-N 2 1 290.426 3.654 20 30 CHEDMP CCCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000815209438 1130972957 /nfs/dbraw/zinc/97/29/57/1130972957.db2.gz WKMQFICVEOVIAR-JWTNVVGKSA-N 2 1 296.499 3.530 20 30 CHEDMP CCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000815209438 1130972960 /nfs/dbraw/zinc/97/29/60/1130972960.db2.gz WKMQFICVEOVIAR-JWTNVVGKSA-N 2 1 296.499 3.530 20 30 CHEDMP CCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000815209438 1130972962 /nfs/dbraw/zinc/97/29/62/1130972962.db2.gz WKMQFICVEOVIAR-JWTNVVGKSA-N 2 1 296.499 3.530 20 30 CHEDMP C=CCCCCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571347 1130978600 /nfs/dbraw/zinc/97/86/00/1130978600.db2.gz BVDOGQBWPWOCAS-JCNLHEQBSA-N 2 1 264.457 3.857 20 30 CHEDMP CCCCCCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633439 1130987327 /nfs/dbraw/zinc/98/73/27/1130987327.db2.gz HZCLFRIICBPHAJ-UHFFFAOYSA-N 2 1 252.446 3.563 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236821656 1131014575 /nfs/dbraw/zinc/01/45/75/1131014575.db2.gz WBFRMSSGNGDCTF-GVDBMIGSSA-N 2 1 264.457 3.572 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055722 1131042975 /nfs/dbraw/zinc/04/29/75/1131042975.db2.gz FHGMGQLUTCHMHL-INIZCTEOSA-N 2 1 252.446 3.574 20 30 CHEDMP N#CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCCC1 ZINC001139360000 1131605364 /nfs/dbraw/zinc/60/53/64/1131605364.db2.gz DPBWAFWJFBJZGM-UHFFFAOYSA-N 2 1 294.402 3.531 20 30 CHEDMP N#CCCN(Cc1ccc(-n2ccnc2)cc1)C1CCCC1 ZINC001139360000 1131605367 /nfs/dbraw/zinc/60/53/67/1131605367.db2.gz DPBWAFWJFBJZGM-UHFFFAOYSA-N 2 1 294.402 3.531 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624711 1131721895 /nfs/dbraw/zinc/72/18/95/1131721895.db2.gz RPJNHZYHHBBUMJ-IRXDYDNUSA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624711 1131721901 /nfs/dbraw/zinc/72/19/01/1131721901.db2.gz RPJNHZYHHBBUMJ-IRXDYDNUSA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246648117 1131775585 /nfs/dbraw/zinc/77/55/85/1131775585.db2.gz KWIWIKCJAZTEJU-JKSUJKDBSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246659961 1131778817 /nfs/dbraw/zinc/77/88/17/1131778817.db2.gz NIMFRHZJFHATCY-QAETUUGQSA-N 2 1 266.473 3.937 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734086 1132030875 /nfs/dbraw/zinc/03/08/75/1132030875.db2.gz TWLNZMRWGVQKGE-FHWLQOOXSA-N 2 1 284.447 3.595 20 30 CHEDMP C#CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064900 1132126298 /nfs/dbraw/zinc/12/62/98/1132126298.db2.gz ILAKGWIQEHUJBU-ACDBMABISA-N 2 1 296.458 3.575 20 30 CHEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172504712 1132254096 /nfs/dbraw/zinc/25/40/96/1132254096.db2.gz IDTXRDYIAPNVMN-KRWDZBQOSA-N 2 1 299.462 3.665 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205324715 1133560984 /nfs/dbraw/zinc/56/09/84/1133560984.db2.gz FOVURNDLVGTPEA-ZNFPLGDCSA-N 2 1 252.446 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205324715 1133560987 /nfs/dbraw/zinc/56/09/87/1133560987.db2.gz FOVURNDLVGTPEA-ZNFPLGDCSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606529 1133726704 /nfs/dbraw/zinc/72/67/04/1133726704.db2.gz OFAVXCXOHDNLKU-INIZCTEOSA-N 2 1 252.446 3.574 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209446120 1134024108 /nfs/dbraw/zinc/02/41/08/1134024108.db2.gz RSJCOAHXJIQWNQ-HDICACEKSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209446120 1134024113 /nfs/dbraw/zinc/02/41/13/1134024113.db2.gz RSJCOAHXJIQWNQ-HDICACEKSA-N 2 1 278.484 3.787 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307733 1135221876 /nfs/dbraw/zinc/22/18/76/1135221876.db2.gz ATICIYYMXLKQGM-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000574005333 334984466 /nfs/dbraw/zinc/98/44/66/334984466.db2.gz IFXIUGCZFZGMAY-RDJZCZTQSA-N 2 1 276.468 3.609 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000449075456 261150727 /nfs/dbraw/zinc/15/07/27/261150727.db2.gz RDIAXEJIPVGRGS-GJZGRUSLSA-N 2 1 263.429 3.552 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827828 262398372 /nfs/dbraw/zinc/39/83/72/262398372.db2.gz KCGGQIPQQILJJY-JKSUJKDBSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827828 262398374 /nfs/dbraw/zinc/39/83/74/262398374.db2.gz KCGGQIPQQILJJY-JKSUJKDBSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827828 262398375 /nfs/dbraw/zinc/39/83/75/262398375.db2.gz KCGGQIPQQILJJY-JKSUJKDBSA-N 2 1 279.472 3.511 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000339070639 262593067 /nfs/dbraw/zinc/59/30/67/262593067.db2.gz CKSVZSHBXAASSM-JLJPHGGASA-N 2 1 294.402 3.524 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948613 263368031 /nfs/dbraw/zinc/36/80/31/263368031.db2.gz VDDVTIFANFZAED-ZWKOTPCHSA-N 2 1 272.436 3.768 20 30 CHEDMP C[C@@H]1CCC[C@](C[NH2+]C2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC000449086695 326982799 /nfs/dbraw/zinc/98/27/99/326982799.db2.gz SIGKKDUGEORHHS-CPFNUKBASA-N 2 1 291.483 3.559 20 30 CHEDMP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000269444936 330069934 /nfs/dbraw/zinc/06/99/34/330069934.db2.gz UKKVDRVHRZJRPR-SFHVURJKSA-N 2 1 283.419 3.879 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379657603 330146935 /nfs/dbraw/zinc/14/69/35/330146935.db2.gz TZZRMCMIMCANCQ-AEFFLSMTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379657603 330146936 /nfs/dbraw/zinc/14/69/36/330146936.db2.gz TZZRMCMIMCANCQ-AEFFLSMTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000120197942 330386261 /nfs/dbraw/zinc/38/62/61/330386261.db2.gz GKRWDJQSJKLZBP-AEFFLSMTSA-N 2 1 278.484 3.833 20 30 CHEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000537046892 330394276 /nfs/dbraw/zinc/39/42/76/330394276.db2.gz PUXDXDSRCAILPO-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000449576649 330938297 /nfs/dbraw/zinc/93/82/97/330938297.db2.gz UQTBHTNNJAQPCA-UHFFFAOYSA-N 2 1 293.480 3.573 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459395873 331279843 /nfs/dbraw/zinc/27/98/43/331279843.db2.gz CZSLOYYLLCUIJQ-UHFFFAOYSA-N 2 1 284.447 3.694 20 30 CHEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726288 331296059 /nfs/dbraw/zinc/29/60/59/331296059.db2.gz DSWKYXIBOQIJCJ-WMZOPIPTSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726288 331296060 /nfs/dbraw/zinc/29/60/60/331296060.db2.gz DSWKYXIBOQIJCJ-WMZOPIPTSA-N 2 1 299.462 3.569 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474713104 331595462 /nfs/dbraw/zinc/59/54/62/331595462.db2.gz WQNKNPRNLVUFKD-FUHWJXTLSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000195137063 333246370 /nfs/dbraw/zinc/24/63/70/333246370.db2.gz CGFKDNPZKZKIMV-ICSRJNTNSA-N 2 1 298.474 3.843 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000134166069 334082687 /nfs/dbraw/zinc/08/26/87/334082687.db2.gz BYGFQHGMGDOZPS-WMZOPIPTSA-N 2 1 276.468 3.609 20 30 CHEDMP C=CCCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548159020 334143822 /nfs/dbraw/zinc/14/38/22/334143822.db2.gz PBEFKEXSDJJJDP-IEBWSBKVSA-N 2 1 286.463 3.843 20 30 CHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245925315 334224202 /nfs/dbraw/zinc/22/42/02/334224202.db2.gz RKUVWSGFKMCAHW-SJLPKXTDSA-N 2 1 299.462 3.577 20 30 CHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245931412 334224509 /nfs/dbraw/zinc/22/45/09/334224509.db2.gz SLYBXCWGTJQQCV-AEFFLSMTSA-N 2 1 299.462 3.577 20 30 CHEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782295 334317381 /nfs/dbraw/zinc/31/73/81/334317381.db2.gz IAWMDQLNEDZWFG-ZACQAIPSSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782295 334317382 /nfs/dbraw/zinc/31/73/82/334317382.db2.gz IAWMDQLNEDZWFG-ZACQAIPSSA-N 2 1 291.483 3.559 20 30 CHEDMP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000338236979 1126726489 /nfs/dbraw/zinc/72/64/89/1126726489.db2.gz QCKHGMYBDSLPSB-MRXNPFEDSA-N 2 1 287.451 3.673 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000153046155 1126757296 /nfs/dbraw/zinc/75/72/96/1126757296.db2.gz DNBBGYFWGZMTAV-MRXNPFEDSA-N 2 1 272.436 3.686 20 30 CHEDMP C=CCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903209429 1126797741 /nfs/dbraw/zinc/79/77/41/1126797741.db2.gz KPGOPBMBIBGVBN-ZXFUBFMLSA-N 2 1 276.468 3.726 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405491 1130738371 /nfs/dbraw/zinc/73/83/71/1130738371.db2.gz PHXARJHFUITYAC-DLBZAZTESA-N 2 1 284.463 3.761 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236094579 1130857060 /nfs/dbraw/zinc/85/70/60/1130857060.db2.gz UVRNLDHWICZMMN-CVEARBPZSA-N 2 1 252.446 3.572 20 30 CHEDMP C=C[C@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@H]1C=C ZINC000489437280 1127103695 /nfs/dbraw/zinc/10/36/95/1127103695.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 2 1 274.452 3.624 20 30 CHEDMP C=C[C@H]1CCCC[N@H+]1C/C=C\C[NH+]1CCCC[C@H]1C=C ZINC000489437280 1127103697 /nfs/dbraw/zinc/10/36/97/1127103697.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 2 1 274.452 3.624 20 30 CHEDMP C=C[C@H]1CCCC[N@@H+]1C/C=C\C[NH+]1CCCC[C@H]1C=C ZINC000489437280 1127103701 /nfs/dbraw/zinc/10/37/01/1127103701.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 2 1 274.452 3.624 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242607 1127196896 /nfs/dbraw/zinc/19/68/96/1127196896.db2.gz SGGFTNKDTUHYIZ-SJLPKXTDSA-N 2 1 284.447 3.738 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572242607 1127196898 /nfs/dbraw/zinc/19/68/98/1127196898.db2.gz SGGFTNKDTUHYIZ-SJLPKXTDSA-N 2 1 284.447 3.738 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000286275070 1127264094 /nfs/dbraw/zinc/26/40/94/1127264094.db2.gz VNJBNIOESXGBKZ-HOTGVXAUSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000286275070 1127264095 /nfs/dbraw/zinc/26/40/95/1127264095.db2.gz VNJBNIOESXGBKZ-HOTGVXAUSA-N 2 1 276.424 3.608 20 30 CHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109704 1127631077 /nfs/dbraw/zinc/63/10/77/1127631077.db2.gz FDNFAJREIPRXBR-KRWDZBQOSA-N 2 1 299.462 3.817 20 30 CHEDMP C=C1CCC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925835116 1128143073 /nfs/dbraw/zinc/14/30/73/1128143073.db2.gz MMOWGMGTIMYUKU-OALUTQOASA-N 2 1 284.447 3.816 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000152992804 1128168663 /nfs/dbraw/zinc/16/86/63/1128168663.db2.gz AYWSQNFRXNHMBP-AWEZNQCLSA-N 2 1 284.513 3.537 20 30 CHEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623551184 1117870937 /nfs/dbraw/zinc/87/09/37/1117870937.db2.gz OLWNDVFBLQCAIV-MSOLQXFVSA-N 2 1 286.463 3.636 20 30 CHEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000921564516 1118199321 /nfs/dbraw/zinc/19/93/21/1118199321.db2.gz SNHVWSFNUPCGRJ-UHFFFAOYSA-N 2 1 299.462 3.528 20 30 CHEDMP C=CCCC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236454039 1128771287 /nfs/dbraw/zinc/77/12/87/1128771287.db2.gz UXVVADLFCXQVJE-UHFFFAOYSA-N 2 1 292.854 3.860 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280167536 1119808612 /nfs/dbraw/zinc/80/86/12/1119808612.db2.gz SRDKGCSDSKHDRJ-SJLPKXTDSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280167536 1119808615 /nfs/dbraw/zinc/80/86/15/1119808615.db2.gz SRDKGCSDSKHDRJ-SJLPKXTDSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309711679 1120350952 /nfs/dbraw/zinc/35/09/52/1120350952.db2.gz JOUBCABGEWKIKP-IEBWSBKVSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661422 1121517159 /nfs/dbraw/zinc/51/71/59/1121517159.db2.gz SCWCSYFAGCYADZ-OJAHFUOMSA-N 2 1 298.474 3.841 20 30 CHEDMP C=C(CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191359818 1122596268 /nfs/dbraw/zinc/59/62/68/1122596268.db2.gz ZCNZIRDAAWZAOY-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001191359818 1122596271 /nfs/dbraw/zinc/59/62/71/1122596271.db2.gz ZCNZIRDAAWZAOY-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191359818 1122596274 /nfs/dbraw/zinc/59/62/74/1122596274.db2.gz ZCNZIRDAAWZAOY-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000194383975 1123204991 /nfs/dbraw/zinc/20/49/91/1123204991.db2.gz NSGRNRUAQVBZNH-QGZVFWFLSA-N 2 1 286.463 3.810 20 30 CHEDMP C=C(C)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157058308 1129120895 /nfs/dbraw/zinc/12/08/95/1129120895.db2.gz UHQDXJMYAYYGOK-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157058308 1129120897 /nfs/dbraw/zinc/12/08/97/1129120897.db2.gz UHQDXJMYAYYGOK-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157058308 1129120900 /nfs/dbraw/zinc/12/09/00/1129120900.db2.gz UHQDXJMYAYYGOK-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157058308 1129120901 /nfs/dbraw/zinc/12/09/01/1129120901.db2.gz UHQDXJMYAYYGOK-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157058308 1129120903 /nfs/dbraw/zinc/12/09/03/1129120903.db2.gz UHQDXJMYAYYGOK-AEFFLSMTSA-N 2 1 272.436 3.547 20 30 CHEDMP CCCCCCCCCCCC[C@H](O)C[NH2+]C1(C[NH3+])CC1 ZINC001246008054 1131266931 /nfs/dbraw/zinc/26/69/31/1131266931.db2.gz RZTZUQVOHDOGAC-KRWDZBQOSA-N 2 1 298.515 3.739 20 30 CHEDMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449207236 1124669889 /nfs/dbraw/zinc/66/98/89/1124669889.db2.gz PSQBRHIHZQNTDS-ADKAHSJRSA-N 2 1 291.483 3.559 20 30 CHEDMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449207236 1124669891 /nfs/dbraw/zinc/66/98/91/1124669891.db2.gz PSQBRHIHZQNTDS-ADKAHSJRSA-N 2 1 291.483 3.559 20 30 CHEDMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)CCC#N ZINC000877767915 1125076176 /nfs/dbraw/zinc/07/61/76/1125076176.db2.gz YVKFQVLCUTZFOR-UHFFFAOYSA-N 2 1 293.499 3.616 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390909140 1125115877 /nfs/dbraw/zinc/11/58/77/1125115877.db2.gz UZPAYBCAYRTTQR-SFHVURJKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390909140 1125115879 /nfs/dbraw/zinc/11/58/79/1125115879.db2.gz UZPAYBCAYRTTQR-SFHVURJKSA-N 2 1 286.463 3.843 20 30 CHEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C2CCC2)c1)C1CCC1 ZINC000878135121 1125122234 /nfs/dbraw/zinc/12/22/34/1125122234.db2.gz JHVWBYBLXGIENW-UHFFFAOYSA-N 2 1 297.446 3.527 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113977 1131335189 /nfs/dbraw/zinc/33/51/89/1131335189.db2.gz OSCJVLRTCFUYKV-CVEARBPZSA-N 2 1 272.452 3.807 20 30 CHEDMP C#CCCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000878527886 1125159570 /nfs/dbraw/zinc/15/95/70/1125159570.db2.gz HVBNUBBJTNDEEN-UHFFFAOYSA-N 2 1 299.462 3.592 20 30 CHEDMP CCCCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128118659 1125240191 /nfs/dbraw/zinc/24/01/91/1125240191.db2.gz GFDGWSHEZHJANM-DLBZAZTESA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000740882197 1129422749 /nfs/dbraw/zinc/42/27/49/1129422749.db2.gz HIBAHMWRVYMRSW-HZPDHXFCSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000740882197 1129422750 /nfs/dbraw/zinc/42/27/50/1129422750.db2.gz HIBAHMWRVYMRSW-HZPDHXFCSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740882197 1129422746 /nfs/dbraw/zinc/42/27/46/1129422746.db2.gz HIBAHMWRVYMRSW-HZPDHXFCSA-N 2 1 254.462 3.761 20 30 CHEDMP C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169124699 1129701413 /nfs/dbraw/zinc/70/14/13/1129701413.db2.gz SGKYGYHMQVQZQX-ZJPYXAASSA-N 2 1 270.420 3.519 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651700779 1129745304 /nfs/dbraw/zinc/74/53/04/1129745304.db2.gz SSLQIIGWHYDQAQ-NVXWUHKLSA-N 2 1 264.457 3.585 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000381250642 1129836729 /nfs/dbraw/zinc/83/67/29/1129836729.db2.gz BTYNKLYUKGLAGU-AWEZNQCLSA-N 2 1 286.444 3.507 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000381250642 1129836735 /nfs/dbraw/zinc/83/67/35/1129836735.db2.gz BTYNKLYUKGLAGU-AWEZNQCLSA-N 2 1 286.444 3.507 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000793521292 1130562152 /nfs/dbraw/zinc/56/21/52/1130562152.db2.gz JXRQXXDCZGWVMU-GVDBMIGSSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235008349 1130703183 /nfs/dbraw/zinc/70/31/83/1130703183.db2.gz TZFJNDKVONICQV-UHFFFAOYSA-N 2 1 264.457 3.716 20 30 CHEDMP CCCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027242 1130703313 /nfs/dbraw/zinc/70/33/13/1130703313.db2.gz YWTMZWFCFGDQTJ-DLBZAZTESA-N 2 1 266.473 3.811 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041514 1130705636 /nfs/dbraw/zinc/70/56/36/1130705636.db2.gz QZSIQFALRQICCF-QGZVFWFLSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235663789 1130762410 /nfs/dbraw/zinc/76/24/10/1130762410.db2.gz UPSPJBVNBZJPPH-UHFFFAOYSA-N 2 1 274.452 3.735 20 30 CHEDMP CC1(C[N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]CC1 ZINC001235664749 1130763850 /nfs/dbraw/zinc/76/38/50/1130763850.db2.gz VFASRYUHYSKTCE-UHFFFAOYSA-N 2 1 291.483 3.705 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712004 1130771691 /nfs/dbraw/zinc/77/16/91/1130771691.db2.gz XOLPCNPAHMDRFO-CMDGGOBGSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712004 1130771695 /nfs/dbraw/zinc/77/16/95/1130771695.db2.gz XOLPCNPAHMDRFO-CMDGGOBGSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCCCCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001235750688 1130777137 /nfs/dbraw/zinc/77/71/37/1130777137.db2.gz RVBZDKUPPZSQIF-INIZCTEOSA-N 2 1 254.462 3.798 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237060145 1131044170 /nfs/dbraw/zinc/04/41/70/1131044170.db2.gz XVRUUQBOZBAIKG-QGZVFWFLSA-N 2 1 266.473 3.964 20 30 CHEDMP C=CCCCCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817932798 1131192323 /nfs/dbraw/zinc/19/23/23/1131192323.db2.gz WZHGSAIQJRCEQY-AWEZNQCLSA-N 2 1 261.413 3.671 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246560210 1131622695 /nfs/dbraw/zinc/62/26/95/1131622695.db2.gz BQFMPHLGKQSIDP-HRCADAONSA-N 2 1 254.462 3.795 20 30 CHEDMP C=CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C(C)(C)C ZINC001140027365 1131657616 /nfs/dbraw/zinc/65/76/16/1131657616.db2.gz JXZBEHYXNHRCGW-UHFFFAOYSA-N 2 1 283.419 3.967 20 30 CHEDMP C=CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C(C)(C)C ZINC001140027365 1131657618 /nfs/dbraw/zinc/65/76/18/1131657618.db2.gz JXZBEHYXNHRCGW-UHFFFAOYSA-N 2 1 283.419 3.967 20 30 CHEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246613178 1131718708 /nfs/dbraw/zinc/71/87/08/1131718708.db2.gz XDROTMYIEFRWAU-SJORKVTESA-N 2 1 264.457 3.587 20 30 CHEDMP C=CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115494 /nfs/dbraw/zinc/11/54/94/1132115494.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115496 /nfs/dbraw/zinc/11/54/96/1132115496.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115499 /nfs/dbraw/zinc/11/54/99/1132115499.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 2 1 272.436 3.547 20 30 CHEDMP CC1(C)C[C@@H]([NH2+]CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171972914 1132117911 /nfs/dbraw/zinc/11/79/11/1132117911.db2.gz UHEOQKNJVKZLLP-SFHVURJKSA-N 2 1 299.462 3.713 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172345794 1132180848 /nfs/dbraw/zinc/18/08/48/1132180848.db2.gz COANLEKBDTTXJV-JKSUJKDBSA-N 2 1 254.462 3.667 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172487546 1132224452 /nfs/dbraw/zinc/22/44/52/1132224452.db2.gz BVNCNECXIWCURU-SCTDSRPQSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172487546 1132224456 /nfs/dbraw/zinc/22/44/56/1132224456.db2.gz BVNCNECXIWCURU-SCTDSRPQSA-N 2 1 299.462 3.569 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484650 1132231059 /nfs/dbraw/zinc/23/10/59/1132231059.db2.gz BENIVUFAUZPYRZ-WDSOQIARSA-N 2 1 299.462 3.841 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500378 1132249363 /nfs/dbraw/zinc/24/93/63/1132249363.db2.gz NAKJASUUJJRXGJ-PKOBYXMFSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@@H](CCCC#N)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172500378 1132249370 /nfs/dbraw/zinc/24/93/70/1132249370.db2.gz NAKJASUUJJRXGJ-PKOBYXMFSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@@H](CCCC#N)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172500378 1132249377 /nfs/dbraw/zinc/24/93/77/1132249377.db2.gz NAKJASUUJJRXGJ-PKOBYXMFSA-N 2 1 299.462 3.523 20 30 CHEDMP CCCCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172501679 1132250978 /nfs/dbraw/zinc/25/09/78/1132250978.db2.gz JJCGEEABRJLWJV-QGZVFWFLSA-N 2 1 298.515 3.562 20 30 CHEDMP C=CCCCCCCCC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064585 1133522893 /nfs/dbraw/zinc/52/28/93/1133522893.db2.gz RSYKRIQKCVOJLQ-HOTGVXAUSA-N 2 1 252.446 3.715 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064585 1133522892 /nfs/dbraw/zinc/52/28/92/1133522892.db2.gz RSYKRIQKCVOJLQ-HOTGVXAUSA-N 2 1 252.446 3.715 20 30 CHEDMP C[NH+]1CCC(C[N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001207398503 1133797444 /nfs/dbraw/zinc/79/74/44/1133797444.db2.gz VGJKFCUIZHWPTB-UHFFFAOYSA-N 2 1 291.483 3.657 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001208177749 1133898676 /nfs/dbraw/zinc/89/86/76/1133898676.db2.gz YTLVQFLWIOHKFP-GOSISDBHSA-N 2 1 276.468 3.563 20 30 CHEDMP C=CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164328 1133982512 /nfs/dbraw/zinc/98/25/12/1133982512.db2.gz AWPRCYRMBUZWAF-VQTJNVASSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164328 1133982513 /nfs/dbraw/zinc/98/25/13/1133982513.db2.gz AWPRCYRMBUZWAF-VQTJNVASSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164328 1133982516 /nfs/dbraw/zinc/98/25/16/1133982516.db2.gz AWPRCYRMBUZWAF-VQTJNVASSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209202656 1133987449 /nfs/dbraw/zinc/98/74/49/1133987449.db2.gz MJTJJPPEKZHHQK-QGZVFWFLSA-N 2 1 264.457 3.683 20 30 CHEDMP C=CCCCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385648 1135233891 /nfs/dbraw/zinc/23/38/91/1135233891.db2.gz SNRBWTSPIHWPLF-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385648 1135233895 /nfs/dbraw/zinc/23/38/95/1135233895.db2.gz SNRBWTSPIHWPLF-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385649 1135234199 /nfs/dbraw/zinc/23/41/99/1135234199.db2.gz SNRBWTSPIHWPLF-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385649 1135234202 /nfs/dbraw/zinc/23/42/02/1135234202.db2.gz SNRBWTSPIHWPLF-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827827 262398167 /nfs/dbraw/zinc/39/81/67/262398167.db2.gz KCGGQIPQQILJJY-HZPDHXFCSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827827 262398168 /nfs/dbraw/zinc/39/81/68/262398168.db2.gz KCGGQIPQQILJJY-HZPDHXFCSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827827 262398169 /nfs/dbraw/zinc/39/81/69/262398169.db2.gz KCGGQIPQQILJJY-HZPDHXFCSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411303204 262687863 /nfs/dbraw/zinc/68/78/63/262687863.db2.gz UYANXCPIFLYTEX-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948609 263368060 /nfs/dbraw/zinc/36/80/60/263368060.db2.gz VDDVTIFANFZAED-QZTJIDSGSA-N 2 1 272.436 3.768 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000369947518 267278476 /nfs/dbraw/zinc/27/84/76/267278476.db2.gz GYDHOOBNKBTHSC-FFZOFVMBSA-N 2 1 298.474 3.809 20 30 CHEDMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000193435435 267374635 /nfs/dbraw/zinc/37/46/35/267374635.db2.gz KVVYKFBCOGIDBD-MRXNPFEDSA-N 2 1 299.462 3.863 20 30 CHEDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000193435435 267374637 /nfs/dbraw/zinc/37/46/37/267374637.db2.gz KVVYKFBCOGIDBD-MRXNPFEDSA-N 2 1 299.462 3.863 20 30 CHEDMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414682810 328213897 /nfs/dbraw/zinc/21/38/97/328213897.db2.gz RZOLPNGUWHMNCU-QWHCGFSZSA-N 2 1 298.883 3.778 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000558974431 327135910 /nfs/dbraw/zinc/13/59/10/327135910.db2.gz COQNAWPANMAILT-UXPWSPDFSA-N 2 1 298.474 3.809 20 30 CHEDMP C=CCCCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558978337 327135942 /nfs/dbraw/zinc/13/59/42/327135942.db2.gz AMZQUZKGZLNWHZ-UHFFFAOYSA-N 2 1 266.473 3.785 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2sccc2C)CC1 ZINC000152988249 327301234 /nfs/dbraw/zinc/30/12/34/327301234.db2.gz XGEONAGXVMGHNT-CQSZACIVSA-N 2 1 278.465 3.748 20 30 CHEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422999513 330163910 /nfs/dbraw/zinc/16/39/10/330163910.db2.gz SMUUKLCHBJFTKD-QRQLOZEOSA-N 2 1 299.462 3.932 20 30 CHEDMP C=CCC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000536888276 330363279 /nfs/dbraw/zinc/36/32/79/330363279.db2.gz ZQKLHOMUZVQLFA-UHFFFAOYSA-N 2 1 266.473 3.643 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000564144815 330373430 /nfs/dbraw/zinc/37/34/30/330373430.db2.gz VVRUOLPSUWVNFH-KXBFYZLASA-N 2 1 284.447 3.865 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000564144807 330373490 /nfs/dbraw/zinc/37/34/90/330373490.db2.gz VVRUOLPSUWVNFH-BEFAXECRSA-N 2 1 284.447 3.865 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000488393694 332003746 /nfs/dbraw/zinc/00/37/46/332003746.db2.gz DUGONQMPPZIATG-KRWDZBQOSA-N 2 1 264.457 3.541 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488433969 332007918 /nfs/dbraw/zinc/00/79/18/332007918.db2.gz RXWZGNMICZUDDS-HOTGVXAUSA-N 2 1 296.524 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000491038353 332141444 /nfs/dbraw/zinc/14/14/44/332141444.db2.gz PKJDUEDCASQFML-OXJNMPFZSA-N 2 1 298.474 3.858 20 30 CHEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000310358050 333057762 /nfs/dbraw/zinc/05/77/62/333057762.db2.gz SNUBJWAEJHFBDR-UHFFFAOYSA-N 2 1 286.463 3.843 20 30 CHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC(C)(C)CCC#N ZINC000174272619 335151593 /nfs/dbraw/zinc/15/15/93/335151593.db2.gz AOZFWHDLGWTIRM-INIZCTEOSA-N 2 1 279.472 3.561 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000544111901 333916652 /nfs/dbraw/zinc/91/66/52/333916652.db2.gz GYDZGDCNAAZTLE-IAGOWNOFSA-N 2 1 278.484 3.833 20 30 CHEDMP C=C(C)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577735021 335394285 /nfs/dbraw/zinc/39/42/85/335394285.db2.gz RVBUKEWGFDAPFR-MRXNPFEDSA-N 2 1 292.492 3.776 20 30 CHEDMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181513914 335766305 /nfs/dbraw/zinc/76/63/05/335766305.db2.gz ATYAPLZDLTXCLL-ZACQAIPSSA-N 2 1 299.462 3.577 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000127420108 1125461064 /nfs/dbraw/zinc/46/10/64/1125461064.db2.gz RUEAEAWVRKKVQY-UHFFFAOYSA-N 2 1 284.447 3.563 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000245907034 1119387044 /nfs/dbraw/zinc/38/70/44/1119387044.db2.gz CMBLAMXNRPRLOW-FUHWJXTLSA-N 2 1 278.484 3.975 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156642 1132124734 /nfs/dbraw/zinc/12/47/34/1132124734.db2.gz RQYDYUBKMLAEGH-HOTGVXAUSA-N 2 1 272.452 3.888 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156642 1132124739 /nfs/dbraw/zinc/12/47/39/1132124739.db2.gz RQYDYUBKMLAEGH-HOTGVXAUSA-N 2 1 272.452 3.888 20 30 CHEDMP C=CCC[C@@H]([NH2+]C1CCN(CCC)CC1)c1ccco1 ZINC000476003243 1125732069 /nfs/dbraw/zinc/73/20/69/1125732069.db2.gz NAYGAZBBSQQPDR-MRXNPFEDSA-N 2 1 276.424 3.751 20 30 CHEDMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000338234004 1126726909 /nfs/dbraw/zinc/72/69/09/1126726909.db2.gz KRVVDFWFAYNKTM-UHFFFAOYSA-N 2 1 287.451 3.501 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000152959769 1126757590 /nfs/dbraw/zinc/75/75/90/1126757590.db2.gz ISPUMBBCHNJYAM-SJORKVTESA-N 2 1 286.463 3.809 20 30 CHEDMP C=C(C)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466838 1126787874 /nfs/dbraw/zinc/78/78/74/1126787874.db2.gz BNPXZLJZFUBEBG-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466838 1126787877 /nfs/dbraw/zinc/78/78/77/1126787877.db2.gz BNPXZLJZFUBEBG-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466838 1126787879 /nfs/dbraw/zinc/78/78/79/1126787879.db2.gz BNPXZLJZFUBEBG-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466838 1126787883 /nfs/dbraw/zinc/78/78/83/1126787883.db2.gz BNPXZLJZFUBEBG-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466838 1126787886 /nfs/dbraw/zinc/78/78/86/1126787886.db2.gz BNPXZLJZFUBEBG-MOPGFXCFSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466843 1126788213 /nfs/dbraw/zinc/78/82/13/1126788213.db2.gz BNPXZLJZFUBEBG-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466843 1126788216 /nfs/dbraw/zinc/78/82/16/1126788216.db2.gz BNPXZLJZFUBEBG-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466843 1126788219 /nfs/dbraw/zinc/78/82/19/1126788219.db2.gz BNPXZLJZFUBEBG-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466843 1126788222 /nfs/dbraw/zinc/78/82/22/1126788222.db2.gz BNPXZLJZFUBEBG-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466843 1126788226 /nfs/dbraw/zinc/78/82/26/1126788226.db2.gz BNPXZLJZFUBEBG-RTBURBONSA-N 2 1 284.447 3.549 20 30 CHEDMP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000793520637 1130561675 /nfs/dbraw/zinc/56/16/75/1130561675.db2.gz UUAHTKUXUVAFAY-OAHLLOKOSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126580 1130713010 /nfs/dbraw/zinc/71/30/10/1130713010.db2.gz UPQOSVRQOKYYSU-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126580 1130713013 /nfs/dbraw/zinc/71/30/13/1130713013.db2.gz UPQOSVRQOKYYSU-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000358325509 1127415634 /nfs/dbraw/zinc/41/56/34/1127415634.db2.gz DYTNBFTXJBUUQA-FHWLQOOXSA-N 2 1 284.447 3.910 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000059474611 1127456413 /nfs/dbraw/zinc/45/64/13/1127456413.db2.gz VHALIZBBYCVVEE-HNNXBMFYSA-N 2 1 266.473 3.952 20 30 CHEDMP CC[N@@H+](CCC[NH2+]C[C@H](C)CCC#N)C1CCCCC1 ZINC000602699236 1127605825 /nfs/dbraw/zinc/60/58/25/1127605825.db2.gz OCCDHZNUTUPOIX-MRXNPFEDSA-N 2 1 279.472 3.561 20 30 CHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C)CCC#N ZINC000602655984 1127602707 /nfs/dbraw/zinc/60/27/07/1127602707.db2.gz JSNHABFZDADEEG-INIZCTEOSA-N 2 1 287.451 3.510 20 30 CHEDMP C=C(CC)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000540215876 1127969786 /nfs/dbraw/zinc/96/97/86/1127969786.db2.gz VZMGGXMMRSHNEW-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(CC)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000540215876 1127969788 /nfs/dbraw/zinc/96/97/88/1127969788.db2.gz VZMGGXMMRSHNEW-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(CC)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000540215876 1127969789 /nfs/dbraw/zinc/96/97/89/1127969789.db2.gz VZMGGXMMRSHNEW-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP CC(C)[NH+]1CCC([N@@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000929470270 1128274526 /nfs/dbraw/zinc/27/45/26/1128274526.db2.gz KKXVWTKQCCOPHY-UHFFFAOYSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930001334 1128296992 /nfs/dbraw/zinc/29/69/92/1128296992.db2.gz UVSOAEOMNCKMSD-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930001334 1128296994 /nfs/dbraw/zinc/29/69/94/1128296994.db2.gz UVSOAEOMNCKMSD-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP C=CCCCCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768100 1117827867 /nfs/dbraw/zinc/82/78/67/1117827867.db2.gz HBELMZCQYPIRHN-JKSUJKDBSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770107 1117856383 /nfs/dbraw/zinc/85/63/83/1117856383.db2.gz QUTPQZLUFVMDQK-IRXDYDNUSA-N 2 1 266.473 3.962 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000471584536 1118467422 /nfs/dbraw/zinc/46/74/22/1118467422.db2.gz HKJIZGRHUDLTHJ-XUVXKRRUSA-N 2 1 298.474 3.843 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C)c2)CC1 ZINC000180904341 1118870065 /nfs/dbraw/zinc/87/00/65/1118870065.db2.gz JMINWMWZEHMVTD-UHFFFAOYSA-N 2 1 292.854 3.779 20 30 CHEDMP C=CCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000657567539 1119187893 /nfs/dbraw/zinc/18/78/93/1119187893.db2.gz SSBONHVCLLKHIO-IRXDYDNUSA-N 2 1 276.468 3.729 20 30 CHEDMP C=CCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000091632117 1119333335 /nfs/dbraw/zinc/33/33/35/1119333335.db2.gz NUQNONFMGUZEGH-LZLYRXPVSA-N 2 1 276.468 3.680 20 30 CHEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000091632117 1119333339 /nfs/dbraw/zinc/33/33/39/1119333339.db2.gz NUQNONFMGUZEGH-LZLYRXPVSA-N 2 1 276.468 3.680 20 30 CHEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000091632117 1119333342 /nfs/dbraw/zinc/33/33/42/1119333342.db2.gz NUQNONFMGUZEGH-LZLYRXPVSA-N 2 1 276.468 3.680 20 30 CHEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000091632117 1119333345 /nfs/dbraw/zinc/33/33/45/1119333345.db2.gz NUQNONFMGUZEGH-LZLYRXPVSA-N 2 1 276.468 3.680 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000583941856 1119438382 /nfs/dbraw/zinc/43/83/82/1119438382.db2.gz OUTDFTMYXJLXPZ-HNNXBMFYSA-N 2 1 266.473 3.831 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000657868641 1119572678 /nfs/dbraw/zinc/57/26/78/1119572678.db2.gz CHUQWCRAEKVZGW-OIISXLGYSA-N 2 1 275.440 3.552 20 30 CHEDMP CCCCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129804630 1119635897 /nfs/dbraw/zinc/63/58/97/1119635897.db2.gz AJJTTZQJUXDOIB-HZPDHXFCSA-N 2 1 254.462 3.809 20 30 CHEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926685596 1119807203 /nfs/dbraw/zinc/80/72/03/1119807203.db2.gz NVEZDDXVMVECFQ-YQQQUEKLSA-N 2 1 284.447 3.738 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000624123435 1120118889 /nfs/dbraw/zinc/11/88/89/1120118889.db2.gz LUKDRFCSYKMBEW-JKSUJKDBSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000624123435 1120118892 /nfs/dbraw/zinc/11/88/92/1120118892.db2.gz LUKDRFCSYKMBEW-JKSUJKDBSA-N 2 1 276.424 3.608 20 30 CHEDMP CCCCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385554 1120572784 /nfs/dbraw/zinc/57/27/84/1120572784.db2.gz QDOOYSKSHBCDGJ-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385554 1120572789 /nfs/dbraw/zinc/57/27/89/1120572789.db2.gz QDOOYSKSHBCDGJ-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000651668706 1120704814 /nfs/dbraw/zinc/70/48/14/1120704814.db2.gz VISWZBKLFYGBHV-YLJYHZDGSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658115314 1121166002 /nfs/dbraw/zinc/16/60/02/1121166002.db2.gz UNORCKRFVXTOBE-QRVBRYPASA-N 2 1 284.447 3.595 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709853055 1121374377 /nfs/dbraw/zinc/37/43/77/1121374377.db2.gz ZZTXBBNDNVPRQW-IRXDYDNUSA-N 2 1 266.473 3.811 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)CCCC)CC1 ZINC000153035060 1129017022 /nfs/dbraw/zinc/01/70/22/1129017022.db2.gz OMTGKBHPDBXRQJ-OAHLLOKOSA-N 2 1 252.446 3.585 20 30 CHEDMP C=CCC[C@@H](CCC)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000153053798 1129017678 /nfs/dbraw/zinc/01/76/78/1129017678.db2.gz DYJJVALQGIRGGC-MRXNPFEDSA-N 2 1 264.457 3.751 20 30 CHEDMP CC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000366432775 1121960888 /nfs/dbraw/zinc/96/08/88/1121960888.db2.gz MSXNYKQFVXZJJV-CTWPCTMYSA-N 2 1 297.446 3.616 20 30 CHEDMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000366432775 1121960893 /nfs/dbraw/zinc/96/08/93/1121960893.db2.gz MSXNYKQFVXZJJV-CTWPCTMYSA-N 2 1 297.446 3.616 20 30 CHEDMP C=CCC[C@H](CC)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001181933371 1122097174 /nfs/dbraw/zinc/09/71/74/1122097174.db2.gz MHRTZFYBRKVEDG-IRXDYDNUSA-N 2 1 266.473 3.831 20 30 CHEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000439085624 1122751861 /nfs/dbraw/zinc/75/18/61/1122751861.db2.gz NKIIPQSCLLWFKK-FQEVSTJZSA-N 2 1 298.474 3.769 20 30 CHEDMP C=CCC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000439085624 1122751864 /nfs/dbraw/zinc/75/18/64/1122751864.db2.gz NKIIPQSCLLWFKK-FQEVSTJZSA-N 2 1 298.474 3.769 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000507489149 1122960607 /nfs/dbraw/zinc/96/06/07/1122960607.db2.gz WIYFGGCMBBRKCD-ROUUACIJSA-N 2 1 276.468 3.585 20 30 CHEDMP CCCCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001201762380 1123148596 /nfs/dbraw/zinc/14/85/96/1123148596.db2.gz IHLVNBJICAJVIP-UHFFFAOYSA-N 2 1 289.467 3.899 20 30 CHEDMP C#C[C@](C)(CC)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021948 1123429552 /nfs/dbraw/zinc/42/95/52/1123429552.db2.gz RNFNKXSEEXNWFR-ABSDTBQOSA-N 2 1 298.474 3.820 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168035324 1123533038 /nfs/dbraw/zinc/53/30/38/1123533038.db2.gz SFRHDJDMXMTQQW-OPVJXMOQSA-N 2 1 298.474 3.821 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474713106 1123574932 /nfs/dbraw/zinc/57/49/32/1123574932.db2.gz WQNKNPRNLVUFKD-SJLPKXTDSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280895564 1123664691 /nfs/dbraw/zinc/66/46/91/1123664691.db2.gz PJNILPYWNJCQBL-LJQANCHMSA-N 2 1 299.462 3.553 20 30 CHEDMP C[N@@H+](CCC[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449066625 1124643775 /nfs/dbraw/zinc/64/37/75/1124643775.db2.gz DKDPLYRZLUKWJW-UHFFFAOYSA-N 2 1 299.462 3.571 20 30 CHEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246037210 1131279532 /nfs/dbraw/zinc/27/95/32/1131279532.db2.gz UFYXZPXMLRPGIK-ROUUACIJSA-N 2 1 298.515 3.562 20 30 CHEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246037210 1131279535 /nfs/dbraw/zinc/27/95/35/1131279535.db2.gz UFYXZPXMLRPGIK-ROUUACIJSA-N 2 1 298.515 3.562 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877087756 1125007771 /nfs/dbraw/zinc/00/77/71/1125007771.db2.gz RFRINTZBSKYJLG-UYAOXDASSA-N 2 1 296.458 3.748 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877087756 1125007779 /nfs/dbraw/zinc/00/77/79/1125007779.db2.gz RFRINTZBSKYJLG-UYAOXDASSA-N 2 1 296.458 3.748 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740882193 1129423286 /nfs/dbraw/zinc/42/32/86/1129423286.db2.gz HIBAHMWRVYMRSW-CVEARBPZSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000740882193 1129423289 /nfs/dbraw/zinc/42/32/89/1129423289.db2.gz HIBAHMWRVYMRSW-CVEARBPZSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000740882193 1129423292 /nfs/dbraw/zinc/42/32/92/1129423292.db2.gz HIBAHMWRVYMRSW-CVEARBPZSA-N 2 1 254.462 3.761 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC000902795731 1130059599 /nfs/dbraw/zinc/05/95/99/1130059599.db2.gz JGGIREKDKQAFIS-LJQANCHMSA-N 2 1 297.446 3.639 20 30 CHEDMP CCCCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110804 1130711801 /nfs/dbraw/zinc/71/18/01/1130711801.db2.gz MTFXKTYYIPENJZ-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110804 1130711806 /nfs/dbraw/zinc/71/18/06/1130711806.db2.gz MTFXKTYYIPENJZ-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235189147 1130721128 /nfs/dbraw/zinc/72/11/28/1130721128.db2.gz WZRXJQHWSYUILX-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235189147 1130721130 /nfs/dbraw/zinc/72/11/30/1130721130.db2.gz WZRXJQHWSYUILX-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235257190 1130730052 /nfs/dbraw/zinc/73/00/52/1130730052.db2.gz WQCMPFOABUMASS-ULQDDVLXSA-N 2 1 266.473 3.939 20 30 CHEDMP CCCCCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235812675 1130782857 /nfs/dbraw/zinc/78/28/57/1130782857.db2.gz ZVAWNKYLFKDTHW-MUJYYYPQSA-N 2 1 252.446 3.691 20 30 CHEDMP CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236351991 1130917682 /nfs/dbraw/zinc/91/76/82/1130917682.db2.gz GOLYPOSGZCHEOZ-UONOGXRCSA-N 2 1 294.405 3.949 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236351991 1130917688 /nfs/dbraw/zinc/91/76/88/1130917688.db2.gz GOLYPOSGZCHEOZ-UONOGXRCSA-N 2 1 294.405 3.949 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236414181 1130932452 /nfs/dbraw/zinc/93/24/52/1130932452.db2.gz KLKJNDUQTPRTIH-CVEARBPZSA-N 2 1 252.446 3.715 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380211 1131092710 /nfs/dbraw/zinc/09/27/10/1131092710.db2.gz FZKSWQRWTQVONU-ZWKOTPCHSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846223352 1131702055 /nfs/dbraw/zinc/70/20/55/1131702055.db2.gz PWOQLAAVNYMSPC-KSZLIROESA-N 2 1 296.499 3.565 20 30 CHEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246613176 1131718713 /nfs/dbraw/zinc/71/87/13/1131718713.db2.gz XDROTMYIEFRWAU-IRXDYDNUSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246692382 1131782596 /nfs/dbraw/zinc/78/25/96/1131782596.db2.gz NSDPTDGJNRWNFS-HRCADAONSA-N 2 1 284.463 3.744 20 30 CHEDMP CCCC[N@@H+](CCC#N)C1CCC([NH+](CC)CC)CC1 ZINC001173111943 1132394730 /nfs/dbraw/zinc/39/47/30/1132394730.db2.gz OATLLUJCBFGAIG-UHFFFAOYSA-N 2 1 279.472 3.655 20 30 CHEDMP C=CCCCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727874 1133479988 /nfs/dbraw/zinc/47/99/88/1133479988.db2.gz TUNJTYOVVZNAKO-UHFFFAOYSA-N 2 1 264.457 3.589 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877989 1133495038 /nfs/dbraw/zinc/49/50/38/1133495038.db2.gz RQNBTRLYVMZMRO-INIZCTEOSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877989 1133495041 /nfs/dbraw/zinc/49/50/41/1133495041.db2.gz RQNBTRLYVMZMRO-INIZCTEOSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209207070 1133987212 /nfs/dbraw/zinc/98/72/12/1133987212.db2.gz KDLYULKGTOTRFY-DLBZAZTESA-N 2 1 264.457 3.682 20 30 CHEDMP C=CCCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209207070 1133987216 /nfs/dbraw/zinc/98/72/16/1133987216.db2.gz KDLYULKGTOTRFY-DLBZAZTESA-N 2 1 264.457 3.682 20 30 CHEDMP C=CCCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209202655 1133988133 /nfs/dbraw/zinc/98/81/33/1133988133.db2.gz MJTJJPPEKZHHQK-KRWDZBQOSA-N 2 1 264.457 3.683 20 30 CHEDMP C#CCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209266374 1133999003 /nfs/dbraw/zinc/99/90/03/1133999003.db2.gz VWFXFWRIJNNPHI-UFYCRDLUSA-N 2 1 296.458 3.510 20 30 CHEDMP C#CCCC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209266374 1133999008 /nfs/dbraw/zinc/99/90/08/1133999008.db2.gz VWFXFWRIJNNPHI-UFYCRDLUSA-N 2 1 296.458 3.510 20 30 CHEDMP C#CCCC[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209266374 1133999014 /nfs/dbraw/zinc/99/90/14/1133999014.db2.gz VWFXFWRIJNNPHI-UFYCRDLUSA-N 2 1 296.458 3.510 20 30 CHEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209451103 1134025206 /nfs/dbraw/zinc/02/52/06/1134025206.db2.gz SQLIQJNVRPSYHJ-UHFFFAOYSA-N 2 1 272.436 3.551 20 30 CHEDMP C=CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209451103 1134025212 /nfs/dbraw/zinc/02/52/12/1134025212.db2.gz SQLIQJNVRPSYHJ-UHFFFAOYSA-N 2 1 272.436 3.551 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265457 1135216484 /nfs/dbraw/zinc/21/64/84/1135216484.db2.gz TYJGFTZAMUAIGK-GOSISDBHSA-N 2 1 278.484 3.979 20 30 CHEDMP CCCCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465760 1135244812 /nfs/dbraw/zinc/24/48/12/1135244812.db2.gz YFQQJTYKIRRQIE-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465760 1135244816 /nfs/dbraw/zinc/24/48/16/1135244816.db2.gz YFQQJTYKIRRQIE-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574518012 335025920 /nfs/dbraw/zinc/02/59/20/335025920.db2.gz RAXFKVVQXCAOKC-GOSISDBHSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574518012 335025921 /nfs/dbraw/zinc/02/59/21/335025921.db2.gz RAXFKVVQXCAOKC-GOSISDBHSA-N 2 1 298.474 3.985 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827825 262397935 /nfs/dbraw/zinc/39/79/35/262397935.db2.gz KCGGQIPQQILJJY-CVEARBPZSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827825 262397936 /nfs/dbraw/zinc/39/79/36/262397936.db2.gz KCGGQIPQQILJJY-CVEARBPZSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827825 262397938 /nfs/dbraw/zinc/39/79/38/262397938.db2.gz KCGGQIPQQILJJY-CVEARBPZSA-N 2 1 279.472 3.511 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000152959669 327301371 /nfs/dbraw/zinc/30/13/71/327301371.db2.gz ISPUMBBCHNJYAM-DLBZAZTESA-N 2 1 286.463 3.809 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173398614 329147756 /nfs/dbraw/zinc/14/77/56/329147756.db2.gz WVKWDOWPVFWJDT-ZDUSSCGKSA-N 2 1 294.389 3.656 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272883056 330094446 /nfs/dbraw/zinc/09/44/46/330094446.db2.gz NTHMWTZQLDCQMQ-XYJFISCASA-N 2 1 272.436 3.594 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272883056 330094448 /nfs/dbraw/zinc/09/44/48/330094448.db2.gz NTHMWTZQLDCQMQ-XYJFISCASA-N 2 1 272.436 3.594 20 30 CHEDMP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)CC(C)C ZINC000449074972 330897374 /nfs/dbraw/zinc/89/73/74/330897374.db2.gz LXQSRNFFCNSHDB-ADKAHSJRSA-N 2 1 293.499 3.805 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195441944 331173339 /nfs/dbraw/zinc/17/33/39/331173339.db2.gz MZVGEGKREJGSTR-UHFFFAOYSA-N 2 1 292.854 3.779 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177314087 333057401 /nfs/dbraw/zinc/05/74/01/333057401.db2.gz ZVALLNUNDMSCBV-OAHLLOKOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000195137076 333246341 /nfs/dbraw/zinc/24/63/41/333246341.db2.gz CGFKDNPZKZKIMV-AZUAARDMSA-N 2 1 298.474 3.843 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](CC)C2)CC1 ZINC000544111903 333916496 /nfs/dbraw/zinc/91/64/96/333916496.db2.gz GYDZGDCNAAZTLE-SJORKVTESA-N 2 1 278.484 3.833 20 30 CHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000134177822 334083172 /nfs/dbraw/zinc/08/31/72/334083172.db2.gz YPQXCJCEKOUGDV-UHFFFAOYSA-N 2 1 293.499 3.760 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000136078840 334145910 /nfs/dbraw/zinc/14/59/10/334145910.db2.gz IMYMUWPHKODVRO-INIZCTEOSA-N 2 1 264.457 3.585 20 30 CHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245931415 334224608 /nfs/dbraw/zinc/22/46/08/334224608.db2.gz SLYBXCWGTJQQCV-SJLPKXTDSA-N 2 1 299.462 3.577 20 30 CHEDMP C=CCCCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000577034030 335285746 /nfs/dbraw/zinc/28/57/46/335285746.db2.gz UYFONJRMOHDKAY-MRXNPFEDSA-N 2 1 287.451 3.755 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000449130230 1124653107 /nfs/dbraw/zinc/65/31/07/1124653107.db2.gz GBMHKXKPDSUAAJ-DLBZAZTESA-N 2 1 266.473 3.831 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140672 1129704206 /nfs/dbraw/zinc/70/42/06/1129704206.db2.gz LGOKOQDNYPLIFY-ZSHCYNCHSA-N 2 1 252.446 3.514 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140672 1129704208 /nfs/dbraw/zinc/70/42/08/1129704208.db2.gz LGOKOQDNYPLIFY-ZSHCYNCHSA-N 2 1 252.446 3.514 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140672 1129704211 /nfs/dbraw/zinc/70/42/11/1129704211.db2.gz LGOKOQDNYPLIFY-ZSHCYNCHSA-N 2 1 252.446 3.514 20 30 CHEDMP C=CCC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918545 1126758802 /nfs/dbraw/zinc/75/88/02/1126758802.db2.gz DYTNBFTXJBUUQA-GUDVDZBRSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001235673543 1130764822 /nfs/dbraw/zinc/76/48/22/1130764822.db2.gz NLPMZRHBDUUDAA-QGZVFWFLSA-N 2 1 266.473 3.964 20 30 CHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](C)CCC#N ZINC000602655985 1127602804 /nfs/dbraw/zinc/60/28/04/1127602804.db2.gz JSNHABFZDADEEG-MRXNPFEDSA-N 2 1 287.451 3.510 20 30 CHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCC(C)(C)C#N ZINC000603109738 1127631126 /nfs/dbraw/zinc/63/11/26/1127631126.db2.gz GTHSGEWKPMOEGX-UHFFFAOYSA-N 2 1 279.472 3.514 20 30 CHEDMP CCC#C[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001168414461 1127648950 /nfs/dbraw/zinc/64/89/50/1127648950.db2.gz QOVKNQCZWNTSPU-GOSISDBHSA-N 2 1 292.511 3.868 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000153028155 1128577491 /nfs/dbraw/zinc/57/74/91/1128577491.db2.gz HLPYGULQCVUZFS-IBGZPJMESA-N 2 1 284.447 3.694 20 30 CHEDMP CCCCCCCCC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236223085 1128626921 /nfs/dbraw/zinc/62/69/21/1128626921.db2.gz LCVGVJQZQMIHGZ-UHFFFAOYSA-N 2 1 254.462 3.811 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1cccc2cncn21 ZINC001238114762 1117784145 /nfs/dbraw/zinc/78/41/45/1117784145.db2.gz VWVFEAWYJBDLQB-UHFFFAOYSA-N 2 1 259.397 3.737 20 30 CHEDMP CCCCCCC[N@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238114762 1117784148 /nfs/dbraw/zinc/78/41/48/1117784148.db2.gz VWVFEAWYJBDLQB-UHFFFAOYSA-N 2 1 259.397 3.737 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238114762 1117784152 /nfs/dbraw/zinc/78/41/52/1117784152.db2.gz VWVFEAWYJBDLQB-UHFFFAOYSA-N 2 1 259.397 3.737 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000510728451 1118802620 /nfs/dbraw/zinc/80/26/20/1118802620.db2.gz AOLRRZZUNCLNEC-DOTOQJQBSA-N 2 1 282.447 3.535 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000448028884 1118922287 /nfs/dbraw/zinc/92/22/87/1118922287.db2.gz PGNOJQXTAUKCKU-XUVXKRRUSA-N 2 1 298.474 3.843 20 30 CHEDMP CCCCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103985106 1118965847 /nfs/dbraw/zinc/96/58/47/1118965847.db2.gz PHIHUZZZRPKBAQ-XYPWUTKMSA-N 2 1 252.446 3.562 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000657868639 1119572610 /nfs/dbraw/zinc/57/26/10/1119572610.db2.gz CHUQWCRAEKVZGW-DJIMGWMZSA-N 2 1 275.440 3.552 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000375887852 1119779195 /nfs/dbraw/zinc/77/91/95/1119779195.db2.gz JVUXOKPXNRVBIG-PMPSAXMXSA-N 2 1 274.408 3.503 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000375887852 1119779198 /nfs/dbraw/zinc/77/91/98/1119779198.db2.gz JVUXOKPXNRVBIG-PMPSAXMXSA-N 2 1 274.408 3.503 20 30 CHEDMP CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000472763531 1120165857 /nfs/dbraw/zinc/16/58/57/1120165857.db2.gz ATIXTTOYCYCGHC-IBGZPJMESA-N 2 1 299.462 3.645 20 30 CHEDMP C=C(C)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000509372366 1121558232 /nfs/dbraw/zinc/55/82/32/1121558232.db2.gz MFEIMESBBCUGFB-QGZVFWFLSA-N 2 1 278.484 3.929 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000411478182 1121591869 /nfs/dbraw/zinc/59/18/69/1121591869.db2.gz ROFJZTRGDJYGBG-ZIAGYGMSSA-N 2 1 282.391 3.524 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001206292490 1121709043 /nfs/dbraw/zinc/70/90/43/1121709043.db2.gz BZVAKVATEUYGNM-MSOLQXFVSA-N 2 1 276.468 3.740 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000152980534 1129014788 /nfs/dbraw/zinc/01/47/88/1129014788.db2.gz JXRXORUMKDONNU-DNVCBOLYSA-N 2 1 284.447 3.550 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000153028063 1129016627 /nfs/dbraw/zinc/01/66/27/1129016627.db2.gz HLPYGULQCVUZFS-LJQANCHMSA-N 2 1 284.447 3.694 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255805 1122207404 /nfs/dbraw/zinc/20/74/04/1122207404.db2.gz LAPFYYQLBYDOMJ-INIZCTEOSA-N 2 1 252.446 3.716 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716640506 1122523870 /nfs/dbraw/zinc/52/38/70/1122523870.db2.gz WSYZVXURICNHCI-ZCNNSNEGSA-N 2 1 298.474 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000155892638 1129106919 /nfs/dbraw/zinc/10/69/19/1129106919.db2.gz PWRFFDYCNBSQRE-UHFFFAOYSA-N 2 1 298.430 3.871 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453302755 1123570449 /nfs/dbraw/zinc/57/04/49/1123570449.db2.gz AVGVFZMRAXAJIB-DLBZAZTESA-N 2 1 272.436 3.624 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453302755 1123570453 /nfs/dbraw/zinc/57/04/53/1123570453.db2.gz AVGVFZMRAXAJIB-DLBZAZTESA-N 2 1 272.436 3.624 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000863542617 1123875875 /nfs/dbraw/zinc/87/58/75/1123875875.db2.gz QZLMTPKKXYHMBQ-IRXDYDNUSA-N 2 1 270.420 3.568 20 30 CHEDMP CCCCCCCCCCCC[C@@H](O)C[NH2+]C1(C[NH3+])CC1 ZINC001246008061 1131267344 /nfs/dbraw/zinc/26/73/44/1131267344.db2.gz RZTZUQVOHDOGAC-QGZVFWFLSA-N 2 1 298.515 3.739 20 30 CHEDMP C[NH+](C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000449082020 1124646628 /nfs/dbraw/zinc/64/66/28/1124646628.db2.gz JSRBXEQJWHURHT-LXPRWKDFSA-N 2 1 291.483 3.559 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449487114 1124766111 /nfs/dbraw/zinc/76/61/11/1124766111.db2.gz WUVOCJNJRVYJNJ-WMZOPIPTSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449487114 1124766117 /nfs/dbraw/zinc/76/61/17/1124766117.db2.gz WUVOCJNJRVYJNJ-WMZOPIPTSA-N 2 1 286.463 3.841 20 30 CHEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729367 1125282313 /nfs/dbraw/zinc/28/23/13/1125282313.db2.gz WYSUZINYYOXUNV-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475729367 1125282316 /nfs/dbraw/zinc/28/23/16/1125282316.db2.gz WYSUZINYYOXUNV-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740882196 1129422794 /nfs/dbraw/zinc/42/27/94/1129422794.db2.gz HIBAHMWRVYMRSW-HOTGVXAUSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000740882196 1129422795 /nfs/dbraw/zinc/42/27/95/1129422795.db2.gz HIBAHMWRVYMRSW-HOTGVXAUSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000740882196 1129422798 /nfs/dbraw/zinc/42/27/98/1129422798.db2.gz HIBAHMWRVYMRSW-HOTGVXAUSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000103128429 1129713266 /nfs/dbraw/zinc/71/32/66/1129713266.db2.gz SJMXPFPRKDLGDV-HNNXBMFYSA-N 2 1 254.462 3.809 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651700780 1129745619 /nfs/dbraw/zinc/74/56/19/1129745619.db2.gz SSLQIIGWHYDQAQ-RDJZCZTQSA-N 2 1 264.457 3.585 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000380841561 1129833110 /nfs/dbraw/zinc/83/31/10/1129833110.db2.gz OUIUUSSJHNSUTG-KRWDZBQOSA-N 2 1 290.476 3.524 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000380841561 1129833114 /nfs/dbraw/zinc/83/31/14/1129833114.db2.gz OUIUUSSJHNSUTG-KRWDZBQOSA-N 2 1 290.476 3.524 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000793520636 1130561922 /nfs/dbraw/zinc/56/19/22/1130561922.db2.gz UUAHTKUXUVAFAY-HNNXBMFYSA-N 2 1 264.457 3.728 20 30 CHEDMP CCCCCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121423 1130713437 /nfs/dbraw/zinc/71/34/37/1130713437.db2.gz DMOCQTGQDKUVOM-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121423 1130713440 /nfs/dbraw/zinc/71/34/40/1130713440.db2.gz DMOCQTGQDKUVOM-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235256989 1130729132 /nfs/dbraw/zinc/72/91/32/1130729132.db2.gz VSSSYWBCNJUHQX-LJFOUZCWSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235256989 1130729138 /nfs/dbraw/zinc/72/91/38/1130729138.db2.gz VSSSYWBCNJUHQX-LJFOUZCWSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235257903 1130730258 /nfs/dbraw/zinc/73/02/58/1130730258.db2.gz JSRCTQZUXNBOIS-IAGOWNOFSA-N 2 1 266.473 3.811 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365725 1130737656 /nfs/dbraw/zinc/73/76/56/1130737656.db2.gz PCTLJKYBYUYGKT-WOJBJXKFSA-N 2 1 298.474 3.596 20 30 CHEDMP CCCCCCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711649 1130771769 /nfs/dbraw/zinc/77/17/69/1130771769.db2.gz SOOWFGLPNJRLRU-UHFFFAOYSA-N 2 1 266.473 3.813 20 30 CHEDMP C=CCCCCCCCCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235843180 1130786742 /nfs/dbraw/zinc/78/67/42/1130786742.db2.gz XEJWFVORXQQZRN-KRWDZBQOSA-N 2 1 266.473 3.835 20 30 CHEDMP C=CC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CCCCC1 ZINC001236434824 1130940775 /nfs/dbraw/zinc/94/07/75/1130940775.db2.gz XLTXFEIDCMOTFI-UHFFFAOYSA-N 2 1 284.447 3.653 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584522 1130980993 /nfs/dbraw/zinc/98/09/93/1130980993.db2.gz HIUBJGFLZVQUFN-QZTJIDSGSA-N 2 1 288.479 3.753 20 30 CHEDMP CCC(CC)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782947 1131006174 /nfs/dbraw/zinc/00/61/74/1131006174.db2.gz NIRNPAIFMVWSKX-UAPYVXQJSA-N 2 1 299.462 3.819 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236822524 1131015118 /nfs/dbraw/zinc/01/51/18/1131015118.db2.gz ZTHZCTPZHTWXFC-OKZBNKHCSA-N 2 1 278.484 3.962 20 30 CHEDMP CCCCCCCC[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236830336 1131016087 /nfs/dbraw/zinc/01/60/87/1131016087.db2.gz NFYGUECFDXONNP-INIZCTEOSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CCCCCC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237305285 1131081982 /nfs/dbraw/zinc/08/19/82/1131081982.db2.gz UEWSXKPQNMCXDI-UHFFFAOYSA-N 2 1 284.447 3.827 20 30 CHEDMP C=CCCCCC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237305285 1131081987 /nfs/dbraw/zinc/08/19/87/1131081987.db2.gz UEWSXKPQNMCXDI-UHFFFAOYSA-N 2 1 284.447 3.827 20 30 CHEDMP CCCCCCCCC[C@H](CCC)N[C@H]([NH3+])CCC[NH3+] ZINC001246300929 1131452688 /nfs/dbraw/zinc/45/26/88/1131452688.db2.gz QKYZGMKOEOIYCY-IRXDYDNUSA-N 2 1 285.520 3.909 20 30 CHEDMP C=CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824988596 1131493696 /nfs/dbraw/zinc/49/36/96/1131493696.db2.gz OQDXDRFJIAIOBF-MGNMYUMUSA-N 2 1 264.457 3.726 20 30 CHEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246568236 1131636589 /nfs/dbraw/zinc/63/65/89/1131636589.db2.gz KSSLBYRVKBYQGP-ARFHVFGLSA-N 2 1 272.452 3.887 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246568236 1131636594 /nfs/dbraw/zinc/63/65/94/1131636594.db2.gz KSSLBYRVKBYQGP-ARFHVFGLSA-N 2 1 272.452 3.887 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246644625 1131764961 /nfs/dbraw/zinc/76/49/61/1131764961.db2.gz IJIYQKRWDGLRGL-PCKAHOCUSA-N 2 1 252.446 3.549 20 30 CHEDMP C=C(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970170 1132118394 /nfs/dbraw/zinc/11/83/94/1132118394.db2.gz ZFJJYOUJICXOOX-KRWDZBQOSA-N 2 1 272.436 3.595 20 30 CHEDMP CCCCCCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121935 1132135855 /nfs/dbraw/zinc/13/58/55/1132135855.db2.gz NKYWTDMRWQQZAW-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121935 1132135857 /nfs/dbraw/zinc/13/58/57/1132135857.db2.gz NKYWTDMRWQQZAW-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121935 1132135860 /nfs/dbraw/zinc/13/58/60/1132135860.db2.gz NKYWTDMRWQQZAW-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121935 1132135864 /nfs/dbraw/zinc/13/58/64/1132135864.db2.gz NKYWTDMRWQQZAW-FVQHAEBGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205000308 1133514927 /nfs/dbraw/zinc/51/49/27/1133514927.db2.gz DBEQJHOOYSVKNC-OAGJVSPASA-N 2 1 266.473 3.835 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207185611 1133777454 /nfs/dbraw/zinc/77/74/54/1133777454.db2.gz QOOXFGUZJCYPGQ-WBVHZDCISA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001207185611 1133777459 /nfs/dbraw/zinc/77/74/59/1133777459.db2.gz QOOXFGUZJCYPGQ-WBVHZDCISA-N 2 1 264.457 3.728 20 30 CHEDMP CCC[N@@H+](CCC#N)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291848 1133788158 /nfs/dbraw/zinc/78/81/58/1133788158.db2.gz ZLZMXXSAYFXMHE-UHFFFAOYSA-N 2 1 299.462 3.524 20 30 CHEDMP CCCCCCC[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC001207398333 1133797058 /nfs/dbraw/zinc/79/70/58/1133797058.db2.gz ILAYHCSFSDMIGZ-UHFFFAOYSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCC/C=C/CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001208124423 1133880369 /nfs/dbraw/zinc/88/03/69/1133880369.db2.gz QRBYCTUQTMPEKA-QZEKMECESA-N 2 1 278.484 3.931 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001208124423 1133880381 /nfs/dbraw/zinc/88/03/81/1133880381.db2.gz QRBYCTUQTMPEKA-QZEKMECESA-N 2 1 278.484 3.931 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001208124423 1133880383 /nfs/dbraw/zinc/88/03/83/1133880383.db2.gz QRBYCTUQTMPEKA-QZEKMECESA-N 2 1 278.484 3.931 20 30 CHEDMP C=C(C)C[N@H+](CC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941102 1133967951 /nfs/dbraw/zinc/96/79/51/1133967951.db2.gz XEGIJFWJSQUFBZ-IBGZPJMESA-N 2 1 286.463 3.797 20 30 CHEDMP C=C(C)C[N@@H+](CC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941102 1133967954 /nfs/dbraw/zinc/96/79/54/1133967954.db2.gz XEGIJFWJSQUFBZ-IBGZPJMESA-N 2 1 286.463 3.797 20 30 CHEDMP C=C(C)C[NH+](CC)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941102 1133967956 /nfs/dbraw/zinc/96/79/56/1133967956.db2.gz XEGIJFWJSQUFBZ-IBGZPJMESA-N 2 1 286.463 3.797 20 30 CHEDMP C=C(C)C[NH+](CC)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941102 1133967958 /nfs/dbraw/zinc/96/79/58/1133967958.db2.gz XEGIJFWJSQUFBZ-IBGZPJMESA-N 2 1 286.463 3.797 20 30 CHEDMP C=CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209161035 1133982982 /nfs/dbraw/zinc/98/29/82/1133982982.db2.gz FFYQCXZGRHSOHM-UHFFFAOYSA-N 2 1 288.435 3.534 20 30 CHEDMP C=CCCCCCCC[N@H+](C)C1CCN(C)CC1 ZINC001209438093 1134020299 /nfs/dbraw/zinc/02/02/99/1134020299.db2.gz FLJQRPWQBPLONX-UHFFFAOYSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209438093 1134020303 /nfs/dbraw/zinc/02/03/03/1134020303.db2.gz FLJQRPWQBPLONX-UHFFFAOYSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209438093 1134020311 /nfs/dbraw/zinc/02/03/11/1134020311.db2.gz FLJQRPWQBPLONX-UHFFFAOYSA-N 2 1 252.446 3.539 20 30 CHEDMP CCCCCCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308616219 1134974335 /nfs/dbraw/zinc/97/43/35/1134974335.db2.gz VJDMCTPCFIAUHA-UHFFFAOYSA-N 2 1 254.462 3.811 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222140955 1135198766 /nfs/dbraw/zinc/19/87/66/1135198766.db2.gz AONRBMOTYMIHTJ-QGZVFWFLSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421662 1135239093 /nfs/dbraw/zinc/23/90/93/1135239093.db2.gz OQXUQNJXXKMHSL-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421662 1135239098 /nfs/dbraw/zinc/23/90/98/1135239098.db2.gz OQXUQNJXXKMHSL-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C[C@@H]1c1ccccc1 ZINC000340393476 328269891 /nfs/dbraw/zinc/26/98/91/328269891.db2.gz PQJSIQQXIRVXNO-QZTJIDSGSA-N 2 1 299.462 3.741 20 30 CHEDMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C[C@@H]1c1ccccc1 ZINC000340393476 328269892 /nfs/dbraw/zinc/26/98/92/328269892.db2.gz PQJSIQQXIRVXNO-QZTJIDSGSA-N 2 1 299.462 3.741 20 30 CHEDMP CC(C)CC[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC000173539931 329148860 /nfs/dbraw/zinc/14/88/60/329148860.db2.gz NPINXDZXZHRULP-UHFFFAOYSA-N 2 1 296.418 3.634 20 30 CHEDMP C=CCC[C@H](CCC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178708039 329202642 /nfs/dbraw/zinc/20/26/42/329202642.db2.gz KOPSTGFZYZUJFW-HOCLYGCPSA-N 2 1 263.429 3.552 20 30 CHEDMP C=CCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000265770446 330063200 /nfs/dbraw/zinc/06/32/00/330063200.db2.gz IRVRBLKESTVQKU-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770446 330063201 /nfs/dbraw/zinc/06/32/01/330063201.db2.gz IRVRBLKESTVQKU-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770446 330063202 /nfs/dbraw/zinc/06/32/02/330063202.db2.gz IRVRBLKESTVQKU-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770446 330063203 /nfs/dbraw/zinc/06/32/03/330063203.db2.gz IRVRBLKESTVQKU-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000265770446 330063204 /nfs/dbraw/zinc/06/32/04/330063204.db2.gz IRVRBLKESTVQKU-FUHWJXTLSA-N 2 1 272.436 3.547 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379657604 330146878 /nfs/dbraw/zinc/14/68/78/330146878.db2.gz TZZRMCMIMCANCQ-FUHWJXTLSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379657604 330146880 /nfs/dbraw/zinc/14/68/80/330146880.db2.gz TZZRMCMIMCANCQ-FUHWJXTLSA-N 2 1 272.436 3.595 20 30 CHEDMP C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953364 330294578 /nfs/dbraw/zinc/29/45/78/330294578.db2.gz WSFVRTXVRIQRLN-BEFAXECRSA-N 2 1 297.446 3.616 20 30 CHEDMP C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953364 330294579 /nfs/dbraw/zinc/29/45/79/330294579.db2.gz WSFVRTXVRIQRLN-BEFAXECRSA-N 2 1 297.446 3.616 20 30 CHEDMP C=CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000119785111 330379885 /nfs/dbraw/zinc/37/98/85/330379885.db2.gz LEXARRKOWYONSK-FQEVSTJZSA-N 2 1 298.474 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000482642714 331841988 /nfs/dbraw/zinc/84/19/88/331841988.db2.gz PQCBSTNOYURVHE-ZWKOTPCHSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000174363356 335153297 /nfs/dbraw/zinc/15/32/97/335153297.db2.gz GPLXPGGEQJBXCT-UHFFFAOYSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000134166266 334082649 /nfs/dbraw/zinc/08/26/49/334082649.db2.gz BYGFQHGMGDOZPS-SJLPKXTDSA-N 2 1 276.468 3.609 20 30 CHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000245896684 334223181 /nfs/dbraw/zinc/22/31/81/334223181.db2.gz NEWIUGVUFIALQE-DLBZAZTESA-N 2 1 299.462 3.863 20 30 CHEDMP C=CCC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000552283428 334312887 /nfs/dbraw/zinc/31/28/87/334312887.db2.gz CUONAYPGPZZABX-INIZCTEOSA-N 2 1 290.451 3.999 20 30 CHEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249114816 334328189 /nfs/dbraw/zinc/32/81/89/334328189.db2.gz RXFSAGIOLFGOGX-YQVWRLOYSA-N 2 1 286.463 3.699 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000152970978 334533466 /nfs/dbraw/zinc/53/34/66/334533466.db2.gz GCBGDTDRMNKNEO-KRWDZBQOSA-N 2 1 286.463 3.995 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904754 1123069683 /nfs/dbraw/zinc/06/96/83/1123069683.db2.gz XELFPXIVIQARCN-JKSUJKDBSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545599 1133586642 /nfs/dbraw/zinc/58/66/42/1133586642.db2.gz JYZKHEMCZZBUEW-INIZCTEOSA-N 2 1 270.436 3.666 20 30 CHEDMP C=CCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660729 1125704319 /nfs/dbraw/zinc/70/43/19/1125704319.db2.gz FBQURHYPMQPAJW-UHFFFAOYSA-N 2 1 261.413 3.562 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2C)CC1 ZINC000153006745 1126757239 /nfs/dbraw/zinc/75/72/39/1126757239.db2.gz OUVWSXNDQPFEPC-KRWDZBQOSA-N 2 1 286.463 3.556 20 30 CHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174351628 1126769158 /nfs/dbraw/zinc/76/91/58/1126769158.db2.gz YPJJOLWBPBNLCV-UHFFFAOYSA-N 2 1 287.451 3.558 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041727 1130704011 /nfs/dbraw/zinc/70/40/11/1130704011.db2.gz SAAWRGVZAVRZFG-QGZVFWFLSA-N 2 1 264.457 3.731 20 30 CHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185885528 1126905199 /nfs/dbraw/zinc/90/51/99/1126905199.db2.gz DEEFBHLKGGPTAU-LPHOPBHVSA-N 2 1 299.462 3.699 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235674315 1130765382 /nfs/dbraw/zinc/76/53/82/1130765382.db2.gz RPIQXVDVKMFJRQ-ROJDOSBLSA-N 2 1 252.446 3.574 20 30 CHEDMP C=C[C@@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@H]1C=C ZINC000489437284 1127104025 /nfs/dbraw/zinc/10/40/25/1127104025.db2.gz NUOKIHNIAUYHJE-ZWHYWQQASA-N 2 1 274.452 3.624 20 30 CHEDMP C[C@@H](CCC#N)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000602553886 1127591846 /nfs/dbraw/zinc/59/18/46/1127591846.db2.gz XNADGYBTCAQNPL-IRXDYDNUSA-N 2 1 299.462 3.741 20 30 CHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCCC(C)(C)C#N ZINC000603117299 1127631997 /nfs/dbraw/zinc/63/19/97/1127631997.db2.gz FKEDUDRVYROPPX-UHFFFAOYSA-N 2 1 293.499 3.904 20 30 CHEDMP CCCCCCC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258042915 1128684153 /nfs/dbraw/zinc/68/41/53/1128684153.db2.gz DHMCPWANPYVMDD-CQSZACIVSA-N 2 1 251.418 3.696 20 30 CHEDMP C=CCCCCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768099 1117828145 /nfs/dbraw/zinc/82/81/45/1117828145.db2.gz HBELMZCQYPIRHN-HZPDHXFCSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000623541448 1117870621 /nfs/dbraw/zinc/87/06/21/1117870621.db2.gz KMONOBMKBOYRLC-HNNXBMFYSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000338549021 1118216076 /nfs/dbraw/zinc/21/60/76/1118216076.db2.gz LIYPXSBNLKXPPX-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000338549021 1118216079 /nfs/dbraw/zinc/21/60/79/1118216079.db2.gz LIYPXSBNLKXPPX-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000338549021 1118216082 /nfs/dbraw/zinc/21/60/82/1118216082.db2.gz LIYPXSBNLKXPPX-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000471584534 1118467442 /nfs/dbraw/zinc/46/74/42/1118467442.db2.gz HKJIZGRHUDLTHJ-VAMGGRTRSA-N 2 1 298.474 3.843 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398210902 1118500566 /nfs/dbraw/zinc/50/05/66/1118500566.db2.gz PNTWIOYJFALVSP-JENIJYKNSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398210902 1118500569 /nfs/dbraw/zinc/50/05/69/1118500569.db2.gz PNTWIOYJFALVSP-JENIJYKNSA-N 2 1 286.463 3.841 20 30 CHEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554820 1119032256 /nfs/dbraw/zinc/03/22/56/1119032256.db2.gz UWQBKLUJVRRLJU-HXUWFJFHSA-N 2 1 298.474 3.941 20 30 CHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCCC#N)CC1 ZINC000158946652 1119477025 /nfs/dbraw/zinc/47/70/25/1119477025.db2.gz RTQDPCYFWHYLRM-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000375887850 1119779209 /nfs/dbraw/zinc/77/92/09/1119779209.db2.gz JVUXOKPXNRVBIG-JYJNAYRXSA-N 2 1 274.408 3.503 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000375887850 1119779212 /nfs/dbraw/zinc/77/92/12/1119779212.db2.gz JVUXOKPXNRVBIG-JYJNAYRXSA-N 2 1 274.408 3.503 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000375887851 1119779388 /nfs/dbraw/zinc/77/93/88/1119779388.db2.gz JVUXOKPXNRVBIG-OAGGEKHMSA-N 2 1 274.408 3.503 20 30 CHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000375887851 1119779392 /nfs/dbraw/zinc/77/93/92/1119779392.db2.gz JVUXOKPXNRVBIG-OAGGEKHMSA-N 2 1 274.408 3.503 20 30 CHEDMP C=CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000117883841 1120519177 /nfs/dbraw/zinc/51/91/77/1120519177.db2.gz KRGQKUJXKGYDAP-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000117883841 1120519169 /nfs/dbraw/zinc/51/91/69/1120519169.db2.gz KRGQKUJXKGYDAP-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000117883841 1120519174 /nfs/dbraw/zinc/51/91/74/1120519174.db2.gz KRGQKUJXKGYDAP-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543462080 1120528412 /nfs/dbraw/zinc/52/84/12/1120528412.db2.gz WJHPDZCPBQNOAT-ULQDDVLXSA-N 2 1 278.484 3.974 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465623 1120605865 /nfs/dbraw/zinc/60/58/65/1120605865.db2.gz WIJZDCPUEIHWCQ-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465623 1120605868 /nfs/dbraw/zinc/60/58/68/1120605868.db2.gz WIJZDCPUEIHWCQ-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467660 1120983828 /nfs/dbraw/zinc/98/38/28/1120983828.db2.gz HBXUVJNEHCCXMN-QZTJIDSGSA-N 2 1 278.484 3.833 20 30 CHEDMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001167825703 1121000109 /nfs/dbraw/zinc/00/01/09/1121000109.db2.gz KXQHDHUWKDIESZ-INIZCTEOSA-N 2 1 287.451 3.501 20 30 CHEDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001167841362 1121055588 /nfs/dbraw/zinc/05/55/88/1121055588.db2.gz LGUNSGROAYDDML-MRXNPFEDSA-N 2 1 287.451 3.501 20 30 CHEDMP C=C(CC)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238002 1121216765 /nfs/dbraw/zinc/21/67/65/1121216765.db2.gz XOGZIWHEURRSBS-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512238002 1121216770 /nfs/dbraw/zinc/21/67/70/1121216770.db2.gz XOGZIWHEURRSBS-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512238002 1121216775 /nfs/dbraw/zinc/21/67/75/1121216775.db2.gz XOGZIWHEURRSBS-LJQANCHMSA-N 2 1 284.447 3.551 20 30 CHEDMP C=CC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380613 1121306343 /nfs/dbraw/zinc/30/63/43/1121306343.db2.gz ACFBVONREIQTAZ-YSIASYRMSA-N 2 1 298.474 3.795 20 30 CHEDMP C=CC[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380613 1121306350 /nfs/dbraw/zinc/30/63/50/1121306350.db2.gz ACFBVONREIQTAZ-YSIASYRMSA-N 2 1 298.474 3.795 20 30 CHEDMP C=CC[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380613 1121306356 /nfs/dbraw/zinc/30/63/56/1121306356.db2.gz ACFBVONREIQTAZ-YSIASYRMSA-N 2 1 298.474 3.795 20 30 CHEDMP C=CC[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175380613 1121306364 /nfs/dbraw/zinc/30/63/64/1121306364.db2.gz ACFBVONREIQTAZ-YSIASYRMSA-N 2 1 298.474 3.795 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727956 1121755223 /nfs/dbraw/zinc/75/52/23/1121755223.db2.gz YEHAOQCPDGWZTI-UHFFFAOYSA-N 2 1 266.473 3.813 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(CC)cc2)CC1 ZINC000152949677 1129013670 /nfs/dbraw/zinc/01/36/70/1129013670.db2.gz FBTPQKRHTAKGPW-INIZCTEOSA-N 2 1 286.463 3.940 20 30 CHEDMP C=CCC[C@H](CCC)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000153053714 1129017611 /nfs/dbraw/zinc/01/76/11/1129017611.db2.gz DYJJVALQGIRGGC-INIZCTEOSA-N 2 1 264.457 3.751 20 30 CHEDMP CCC#C[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001192499838 1122648897 /nfs/dbraw/zinc/64/88/97/1122648897.db2.gz FUTXLEUITHMKLI-QGZVFWFLSA-N 2 1 290.495 3.622 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001201567262 1123125772 /nfs/dbraw/zinc/12/57/72/1123125772.db2.gz WGLOOZZIQASILD-FGTMMUONSA-N 2 1 278.484 3.689 20 30 CHEDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511214 1124483684 /nfs/dbraw/zinc/48/36/84/1124483684.db2.gz SKPFORGXKYGIAD-LPHOPBHVSA-N 2 1 299.462 3.863 20 30 CHEDMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094685 1124650570 /nfs/dbraw/zinc/65/05/70/1124650570.db2.gz SXODXNAMONMHCC-HJOIGYKYSA-N 2 1 291.483 3.559 20 30 CHEDMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094685 1124650573 /nfs/dbraw/zinc/65/05/73/1124650573.db2.gz SXODXNAMONMHCC-HJOIGYKYSA-N 2 1 291.483 3.559 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)C2CCCC2)CC1 ZINC000449123286 1124651791 /nfs/dbraw/zinc/65/17/91/1124651791.db2.gz NRMVPWKJRPHSBB-KRWDZBQOSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449486745 1124764577 /nfs/dbraw/zinc/76/45/77/1124764577.db2.gz VCHUNTSAMBVGRD-SJLPKXTDSA-N 2 1 286.463 3.699 20 30 CHEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877087753 1125008107 /nfs/dbraw/zinc/00/81/07/1125008107.db2.gz RFRINTZBSKYJLG-AZUAARDMSA-N 2 1 296.458 3.748 20 30 CHEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877087753 1125008114 /nfs/dbraw/zinc/00/81/14/1125008114.db2.gz RFRINTZBSKYJLG-AZUAARDMSA-N 2 1 296.458 3.748 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113979 1131335280 /nfs/dbraw/zinc/33/52/80/1131335280.db2.gz OSCJVLRTCFUYKV-HZPDHXFCSA-N 2 1 272.452 3.807 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883173817 1125375103 /nfs/dbraw/zinc/37/51/03/1125375103.db2.gz UROYPNIFGZPLJG-HSALFYBXSA-N 2 1 298.474 3.780 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638611305 1129263166 /nfs/dbraw/zinc/26/31/66/1129263166.db2.gz TWROLNDGEQDMJC-IEZWGBDMSA-N 2 1 284.447 3.909 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638611305 1129263168 /nfs/dbraw/zinc/26/31/68/1129263168.db2.gz TWROLNDGEQDMJC-IEZWGBDMSA-N 2 1 284.447 3.909 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638611314 1129263700 /nfs/dbraw/zinc/26/37/00/1129263700.db2.gz TWROLNDGEQDMJC-WDYCEAGBSA-N 2 1 284.447 3.909 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638611314 1129263704 /nfs/dbraw/zinc/26/37/04/1129263704.db2.gz TWROLNDGEQDMJC-WDYCEAGBSA-N 2 1 284.447 3.909 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117443 1129283688 /nfs/dbraw/zinc/28/36/88/1129283688.db2.gz DFORTPFKXQCIML-PKOBYXMFSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639117443 1129283691 /nfs/dbraw/zinc/28/36/91/1129283691.db2.gz DFORTPFKXQCIML-PKOBYXMFSA-N 2 1 284.447 3.910 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226970 1129295165 /nfs/dbraw/zinc/29/51/65/1129295165.db2.gz JKIWRQUXJKCLTN-MJGOQNOKSA-N 2 1 284.447 3.910 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639226970 1129295169 /nfs/dbraw/zinc/29/51/69/1129295169.db2.gz JKIWRQUXJKCLTN-MJGOQNOKSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343808 1129571836 /nfs/dbraw/zinc/57/18/36/1129571836.db2.gz CNELVDGTJULOPW-ISARSNTHSA-N 2 1 286.463 3.522 20 30 CHEDMP N#CC1(CCCC[N@H+](CCC[NH3+])Cc2ccccc2)CCC1 ZINC000903746632 1130195592 /nfs/dbraw/zinc/19/55/92/1130195592.db2.gz IXNWHEHLGSNWKM-UHFFFAOYSA-N 2 1 299.462 3.702 20 30 CHEDMP C=CCCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001170300076 1130476060 /nfs/dbraw/zinc/47/60/60/1130476060.db2.gz ZQZDIDQEOMMKNU-INIZCTEOSA-N 2 1 298.434 3.729 20 30 CHEDMP C=CCCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001170300077 1130476752 /nfs/dbraw/zinc/47/67/52/1130476752.db2.gz ZQZDIDQEOMMKNU-MRXNPFEDSA-N 2 1 298.434 3.729 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000793521291 1130561728 /nfs/dbraw/zinc/56/17/28/1130561728.db2.gz JXRQXXDCZGWVMU-BBWFWOEESA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166648 1130716105 /nfs/dbraw/zinc/71/61/05/1130716105.db2.gz UUZNMCUEPMDEHL-DLBZAZTESA-N 2 1 264.457 3.716 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166648 1130716110 /nfs/dbraw/zinc/71/61/10/1130716110.db2.gz UUZNMCUEPMDEHL-DLBZAZTESA-N 2 1 264.457 3.716 20 30 CHEDMP C=CCCCCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380876 1130737883 /nfs/dbraw/zinc/73/78/83/1130737883.db2.gz WTYLJHIRYMDAST-UXHICEINSA-N 2 1 298.474 3.812 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429805 1130743445 /nfs/dbraw/zinc/74/34/45/1130743445.db2.gz ZWAATVYUDDITOS-SJORKVTESA-N 2 1 266.473 3.668 20 30 CHEDMP CCCCCCC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235662459 1130762570 /nfs/dbraw/zinc/76/25/70/1130762570.db2.gz HSAUIFVUHHYNCX-UHFFFAOYSA-N 2 1 260.425 3.692 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675426 1130766372 /nfs/dbraw/zinc/76/63/72/1130766372.db2.gz YAIMQNOAFGJVCK-INIZCTEOSA-N 2 1 252.446 3.574 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958276 1130816683 /nfs/dbraw/zinc/81/66/83/1130816683.db2.gz CJWMUOXPZOOALP-BJWYYQGGSA-N 2 1 264.457 3.572 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236098992 1130860878 /nfs/dbraw/zinc/86/08/78/1130860878.db2.gz WNRHGRDENYUSDO-INIZCTEOSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCCCCCC[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001236212581 1130889464 /nfs/dbraw/zinc/88/94/64/1130889464.db2.gz IDYFJAMUHQYTEK-UHFFFAOYSA-N 2 1 266.473 3.975 20 30 CHEDMP C=CCCCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373791 1130923149 /nfs/dbraw/zinc/92/31/49/1130923149.db2.gz LGLWDXXFSDIQGT-KRWDZBQOSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCCCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177444 1131074669 /nfs/dbraw/zinc/07/46/69/1131074669.db2.gz PLGIWJSIQALASV-UHFFFAOYSA-N 2 1 266.473 3.765 20 30 CHEDMP C#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237886734 1131148837 /nfs/dbraw/zinc/14/88/37/1131148837.db2.gz QWASBXJYFPTDCZ-INIZCTEOSA-N 2 1 294.442 3.533 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278253722 1131220524 /nfs/dbraw/zinc/22/05/24/1131220524.db2.gz LOIPRYZIPKYWIC-GOSISDBHSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278253722 1131220530 /nfs/dbraw/zinc/22/05/30/1131220530.db2.gz LOIPRYZIPKYWIC-GOSISDBHSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278253722 1131220534 /nfs/dbraw/zinc/22/05/34/1131220534.db2.gz LOIPRYZIPKYWIC-GOSISDBHSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938334 1131609902 /nfs/dbraw/zinc/60/99/02/1131609902.db2.gz GPVHSCHGCWDHJG-LMCOJAPRSA-N 2 1 298.474 3.666 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598575 1131712460 /nfs/dbraw/zinc/71/24/60/1131712460.db2.gz BMOJLTKUABNWKN-HOTGVXAUSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246598575 1131712463 /nfs/dbraw/zinc/71/24/63/1131712463.db2.gz BMOJLTKUABNWKN-HOTGVXAUSA-N 2 1 252.446 3.563 20 30 CHEDMP CCCCCCC[C@@H](CC)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644492 1131770426 /nfs/dbraw/zinc/77/04/26/1131770426.db2.gz QQCCBTLPBRVFQJ-QGZVFWFLSA-N 2 1 296.499 3.580 20 30 CHEDMP CCCCCCC[C@@H](CC)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246644492 1131770430 /nfs/dbraw/zinc/77/04/30/1131770430.db2.gz QQCCBTLPBRVFQJ-QGZVFWFLSA-N 2 1 296.499 3.580 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001246692407 1131782630 /nfs/dbraw/zinc/78/26/30/1131782630.db2.gz NSDPTDGJNRWNFS-XHSDSOJGSA-N 2 1 284.463 3.744 20 30 CHEDMP C#C[C@@](C)(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982342 1132119228 /nfs/dbraw/zinc/11/92/28/1132119228.db2.gz HKLIYRWMOFVPTL-ICSRJNTNSA-N 2 1 298.474 3.821 20 30 CHEDMP C#C[C@@](C)(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982342 1132119234 /nfs/dbraw/zinc/11/92/34/1132119234.db2.gz HKLIYRWMOFVPTL-ICSRJNTNSA-N 2 1 298.474 3.821 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156946 1132123525 /nfs/dbraw/zinc/12/35/25/1132123525.db2.gz UQGJPFSHRQBAGV-GUFYHEMZSA-N 2 1 270.436 3.664 20 30 CHEDMP C[C@@H](CCCC#N)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484705 1132231132 /nfs/dbraw/zinc/23/11/32/1132231132.db2.gz CBHDQZGEJSJALV-BQFCYCMXSA-N 2 1 291.483 3.973 20 30 CHEDMP CCCCCCC[C@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172501675 1132251436 /nfs/dbraw/zinc/25/14/36/1132251436.db2.gz JJCGEEABRJLWJV-KRWDZBQOSA-N 2 1 298.515 3.562 20 30 CHEDMP C#Cc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001231663844 1132342702 /nfs/dbraw/zinc/34/27/02/1132342702.db2.gz SUEGKEHDNCHQGQ-VQTJNVASSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001231663844 1132342709 /nfs/dbraw/zinc/34/27/09/1132342709.db2.gz SUEGKEHDNCHQGQ-VQTJNVASSA-N 2 1 296.458 3.507 20 30 CHEDMP C#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001231663844 1132342717 /nfs/dbraw/zinc/34/27/17/1132342717.db2.gz SUEGKEHDNCHQGQ-VQTJNVASSA-N 2 1 296.458 3.507 20 30 CHEDMP C=CCCCC[N@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173112449 1132393452 /nfs/dbraw/zinc/39/34/52/1132393452.db2.gz BFAMTZKLVHBSJA-UHFFFAOYSA-N 2 1 266.473 3.928 20 30 CHEDMP CCCC[NH+](CCCC)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586344 1132495769 /nfs/dbraw/zinc/49/57/69/1132495769.db2.gz PDESDTOIEGEUTO-UHFFFAOYSA-N 2 1 293.499 3.951 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205000307 1133514695 /nfs/dbraw/zinc/51/46/95/1133514695.db2.gz DBEQJHOOYSVKNC-FVNWOWOISA-N 2 1 266.473 3.835 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205538926 1133586461 /nfs/dbraw/zinc/58/64/61/1133586461.db2.gz RDZBXMPKMVNJFG-MRXNPFEDSA-N 2 1 272.452 3.890 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001206542317 1133715452 /nfs/dbraw/zinc/71/54/52/1133715452.db2.gz YBIZZOWESSKOAH-MSOLQXFVSA-N 2 1 276.468 3.740 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCn2c(C)ncc2C1 ZINC001208121169 1133881369 /nfs/dbraw/zinc/88/13/69/1133881369.db2.gz YVXXWBZCYDQAQE-MDZDMXLPSA-N 2 1 275.440 3.924 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCn2c(C)ncc2C1 ZINC001208121169 1133881374 /nfs/dbraw/zinc/88/13/74/1133881374.db2.gz YVXXWBZCYDQAQE-MDZDMXLPSA-N 2 1 275.440 3.924 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001208176984 1133898996 /nfs/dbraw/zinc/89/89/96/1133898996.db2.gz LYGSHJFGEZCFFU-GOSISDBHSA-N 2 1 276.468 3.707 20 30 CHEDMP C=CCCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161625 1135203300 /nfs/dbraw/zinc/20/33/00/1135203300.db2.gz QHIYWYJIMDGFKP-QGZVFWFLSA-N 2 1 264.457 3.589 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222230759 1135211529 /nfs/dbraw/zinc/21/15/29/1135211529.db2.gz CTQVSIQPIXPYRN-QZTJIDSGSA-N 2 1 274.452 3.507 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222230759 1135211535 /nfs/dbraw/zinc/21/15/35/1135211535.db2.gz CTQVSIQPIXPYRN-QZTJIDSGSA-N 2 1 274.452 3.507 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615755 1135256615 /nfs/dbraw/zinc/25/66/15/1135256615.db2.gz SAOUYONGXPCRJP-DLBZAZTESA-N 2 1 264.457 3.587 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000574458971 335021519 /nfs/dbraw/zinc/02/15/19/335021519.db2.gz FHMUJJSNWYQWKF-GOSISDBHSA-N 2 1 278.484 3.831 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574518015 335025964 /nfs/dbraw/zinc/02/59/64/335025964.db2.gz RAXFKVVQXCAOKC-SFHVURJKSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574518015 335025965 /nfs/dbraw/zinc/02/59/65/335025965.db2.gz RAXFKVVQXCAOKC-SFHVURJKSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000449075458 261150581 /nfs/dbraw/zinc/15/05/81/261150581.db2.gz RDIAXEJIPVGRGS-LSDHHAIUSA-N 2 1 263.429 3.552 20 30 CHEDMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000519014820 265296695 /nfs/dbraw/zinc/29/66/95/265296695.db2.gz OGOVMEQZSFARAP-INIZCTEOSA-N 2 1 287.451 3.721 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000559268989 327152370 /nfs/dbraw/zinc/15/23/70/327152370.db2.gz SBXNIPFTUROIAP-UHFFFAOYSA-N 2 1 284.447 3.694 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000153017603 327307885 /nfs/dbraw/zinc/30/78/85/327307885.db2.gz HRLJJSYSMVJDPG-INIZCTEOSA-N 2 1 290.476 3.756 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379659001 330146337 /nfs/dbraw/zinc/14/63/37/330146337.db2.gz XZWZLMWQMCTDJI-SJLPKXTDSA-N 2 1 272.436 3.595 20 30 CHEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379659001 330146338 /nfs/dbraw/zinc/14/63/38/330146338.db2.gz XZWZLMWQMCTDJI-SJLPKXTDSA-N 2 1 272.436 3.595 20 30 CHEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422999410 330163857 /nfs/dbraw/zinc/16/38/57/330163857.db2.gz SMUUKLCHBJFTKD-NZSAHSFTSA-N 2 1 299.462 3.932 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(CSC)CC2)CC1 ZINC000449121620 330900066 /nfs/dbraw/zinc/90/00/66/330900066.db2.gz IJESRIUYMLJHIB-UHFFFAOYSA-N 2 1 296.524 3.538 20 30 CHEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174376232 335153560 /nfs/dbraw/zinc/15/35/60/335153560.db2.gz NBWDWAYAEXYQFV-MRXNPFEDSA-N 2 1 293.499 3.807 20 30 CHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174376232 335153562 /nfs/dbraw/zinc/15/35/62/335153562.db2.gz NBWDWAYAEXYQFV-MRXNPFEDSA-N 2 1 293.499 3.807 20 30 CHEDMP C=CCCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548159021 334143754 /nfs/dbraw/zinc/14/37/54/334143754.db2.gz PBEFKEXSDJJJDP-MJGOQNOKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000552283429 334313059 /nfs/dbraw/zinc/31/30/59/334313059.db2.gz CUONAYPGPZZABX-MRXNPFEDSA-N 2 1 290.451 3.999 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000153059289 334550245 /nfs/dbraw/zinc/55/02/45/334550245.db2.gz YQNOGRKARKKSRM-INIZCTEOSA-N 2 1 264.457 3.585 20 30 CHEDMP CC(C)[NH+](CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353250212 528885183 /nfs/dbraw/zinc/88/51/83/528885183.db2.gz FJTJJBDZPDNNJS-LJQANCHMSA-N 2 1 299.462 3.644 20 30 CHEDMP C=CCCCCCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001209441839 1118060219 /nfs/dbraw/zinc/06/02/19/1118060219.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209441839 1118060224 /nfs/dbraw/zinc/06/02/24/1118060224.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCCCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209441839 1118060229 /nfs/dbraw/zinc/06/02/29/1118060229.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 2 1 278.484 3.787 20 30 CHEDMP C#CCCCCCC[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001183065033 1122204976 /nfs/dbraw/zinc/20/49/76/1122204976.db2.gz DAWJOPAZOSPOLC-ROUUACIJSA-N 2 1 278.484 3.622 20 30 CHEDMP CCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201852663 1123152252 /nfs/dbraw/zinc/15/22/52/1123152252.db2.gz GQPSDHQNZIUVHJ-IAGOWNOFSA-N 2 1 266.473 3.621 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245726935 1125591907 /nfs/dbraw/zinc/59/19/07/1125591907.db2.gz PQLUOSOQHOMLRS-DSLXNQLJSA-N 2 1 284.447 3.736 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245726950 1125591991 /nfs/dbraw/zinc/59/19/91/1125591991.db2.gz PQLUOSOQHOMLRS-OWYHZJEWSA-N 2 1 284.447 3.736 20 30 CHEDMP CCCCCCCC[N@@H+](C)CC1(C)CC[NH2+]CC1 ZINC001235663798 1130761656 /nfs/dbraw/zinc/76/16/56/1130761656.db2.gz KXXYOXPQGRAREU-UHFFFAOYSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CCCCC[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768697 1131005529 /nfs/dbraw/zinc/00/55/29/1131005529.db2.gz OKQZHZBLMZLPND-WKILWMFISA-N 2 1 266.473 3.961 20 30 CHEDMP C=CCCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352357419 1127226090 /nfs/dbraw/zinc/22/60/90/1127226090.db2.gz MXMVIHDICRKLAT-INIZCTEOSA-N 2 1 288.435 3.978 20 30 CHEDMP CC[N@@H+](CCC[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000593660647 1127393901 /nfs/dbraw/zinc/39/39/01/1127393901.db2.gz LWUURQQOUXHCQA-UHFFFAOYSA-N 2 1 293.499 3.951 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866462 1127430473 /nfs/dbraw/zinc/43/04/73/1127430473.db2.gz MQUZITCUZLYBOY-JYJNAYRXSA-N 2 1 254.462 3.808 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226866462 1127430474 /nfs/dbraw/zinc/43/04/74/1127430474.db2.gz MQUZITCUZLYBOY-JYJNAYRXSA-N 2 1 254.462 3.808 20 30 CHEDMP C[NH+]1CCC2(CCC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000374178381 1127876899 /nfs/dbraw/zinc/87/68/99/1127876899.db2.gz YFECIPXHBUZHJG-UHFFFAOYSA-N 2 1 291.483 3.514 20 30 CHEDMP C=C(C)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000540196663 1127969498 /nfs/dbraw/zinc/96/94/98/1127969498.db2.gz GVPHHQGRGDQHSU-UHFFFAOYSA-N 2 1 266.473 3.643 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258049445 1128688773 /nfs/dbraw/zinc/68/87/73/1128688773.db2.gz HYLMCGDSZMMMQS-IAGOWNOFSA-N 2 1 266.473 3.763 20 30 CHEDMP CCCCCCCCC[N@@H+](CC)C1CC[NH2+]CC1 ZINC000102956359 1118952497 /nfs/dbraw/zinc/95/24/97/1118952497.db2.gz CLNUBRHFIRZBQP-UHFFFAOYSA-N 2 1 254.462 3.811 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280167549 1119808990 /nfs/dbraw/zinc/80/89/90/1119808990.db2.gz SRDKGCSDSKHDRJ-WMZOPIPTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280167549 1119808994 /nfs/dbraw/zinc/80/89/94/1119808994.db2.gz SRDKGCSDSKHDRJ-WMZOPIPTSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000414178007 1119928683 /nfs/dbraw/zinc/92/86/83/1119928683.db2.gz JPHPGVMAMJSREY-JKSUJKDBSA-N 2 1 276.424 3.608 20 30 CHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC#N ZINC000282518677 1119980118 /nfs/dbraw/zinc/98/01/18/1119980118.db2.gz PHQQGJCSJVQBSL-GOSISDBHSA-N 2 1 299.462 3.571 20 30 CHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC#N ZINC000282518677 1119980121 /nfs/dbraw/zinc/98/01/21/1119980121.db2.gz PHQQGJCSJVQBSL-GOSISDBHSA-N 2 1 299.462 3.571 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCCCC)CC1 ZINC000765834866 1120116901 /nfs/dbraw/zinc/11/69/01/1120116901.db2.gz JHILJAHDXAZZLH-MRXNPFEDSA-N 2 1 266.473 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000765837819 1120116857 /nfs/dbraw/zinc/11/68/57/1120116857.db2.gz VHJUMCKWOMUXCF-YQVWRLOYSA-N 2 1 290.495 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000542700337 1120122125 /nfs/dbraw/zinc/12/21/25/1120122125.db2.gz RUKZTHZWXMDGAX-NVXWUHKLSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccsc2)CC1 ZINC000462784680 1120198149 /nfs/dbraw/zinc/19/81/49/1120198149.db2.gz GLSNYMWHVMIAGY-HNNXBMFYSA-N 2 1 292.492 3.699 20 30 CHEDMP C=C(C)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508960804 1120560941 /nfs/dbraw/zinc/56/09/41/1120560941.db2.gz ANNKLHWCWDEBDI-UHFFFAOYSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C(C)(C)C ZINC001167841006 1121052598 /nfs/dbraw/zinc/05/25/98/1121052598.db2.gz JHWVCNTURVROTH-HNNXBMFYSA-N 2 1 254.462 3.783 20 30 CHEDMP C=CCCCC[N@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001167840686 1121053013 /nfs/dbraw/zinc/05/30/13/1121053013.db2.gz HLYQUMBQEUCLIG-MRXNPFEDSA-N 2 1 254.462 3.785 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000674334365 1121120396 /nfs/dbraw/zinc/12/03/96/1121120396.db2.gz FQRQJPBBBWBXPS-UHFFFAOYSA-N 2 1 284.447 3.694 20 30 CHEDMP C=C(CC)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238001 1121217429 /nfs/dbraw/zinc/21/74/29/1121217429.db2.gz XOGZIWHEURRSBS-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512238001 1121217434 /nfs/dbraw/zinc/21/74/34/1121217434.db2.gz XOGZIWHEURRSBS-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C=C(CC)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512238001 1121217438 /nfs/dbraw/zinc/21/74/38/1121217438.db2.gz XOGZIWHEURRSBS-IBGZPJMESA-N 2 1 284.447 3.551 20 30 CHEDMP C#CCCCCCC[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001183065031 1122204303 /nfs/dbraw/zinc/20/43/03/1122204303.db2.gz DAWJOPAZOSPOLC-MSOLQXFVSA-N 2 1 278.484 3.622 20 30 CHEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)C1CC1 ZINC000439005935 1122745706 /nfs/dbraw/zinc/74/57/06/1122745706.db2.gz WSBCBNRDZNDNJN-IBGZPJMESA-N 2 1 286.463 3.973 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000507489151 1122960274 /nfs/dbraw/zinc/96/02/74/1122960274.db2.gz WIYFGGCMBBRKCD-ZWKOTPCHSA-N 2 1 276.468 3.585 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904747 1123069003 /nfs/dbraw/zinc/06/90/03/1123069003.db2.gz XELFPXIVIQARCN-HOTGVXAUSA-N 2 1 252.446 3.572 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000346960089 1123736941 /nfs/dbraw/zinc/73/69/41/1123736941.db2.gz KHEAANAKCYPVEC-AWEZNQCLSA-N 2 1 296.418 3.771 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000531250375 1125204591 /nfs/dbraw/zinc/20/45/91/1125204591.db2.gz WMCDZMBGCKXSDL-UHFFFAOYSA-N 2 1 264.457 3.587 20 30 CHEDMP C=CCCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000880389173 1125271591 /nfs/dbraw/zinc/27/15/91/1125271591.db2.gz DLMWDJYJWLTESA-SFHVURJKSA-N 2 1 283.419 3.650 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883173815 1125374807 /nfs/dbraw/zinc/37/48/07/1125374807.db2.gz UROYPNIFGZPLJG-AABGKKOBSA-N 2 1 298.474 3.780 20 30 CHEDMP C=C(C)C[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000348232664 1125423038 /nfs/dbraw/zinc/42/30/38/1125423038.db2.gz JLFHIYQVJUAABI-UHFFFAOYSA-N 2 1 283.419 3.660 20 30 CHEDMP C=C(C)C[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000348232664 1125423042 /nfs/dbraw/zinc/42/30/42/1125423042.db2.gz JLFHIYQVJUAABI-UHFFFAOYSA-N 2 1 283.419 3.660 20 30 CHEDMP CC(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000348047463 1129277161 /nfs/dbraw/zinc/27/71/61/1129277161.db2.gz NUDJUWSINUAMFH-LJQANCHMSA-N 2 1 299.462 3.501 20 30 CHEDMP CC(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047463 1129277165 /nfs/dbraw/zinc/27/71/65/1129277165.db2.gz NUDJUWSINUAMFH-LJQANCHMSA-N 2 1 299.462 3.501 20 30 CHEDMP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047463 1129277168 /nfs/dbraw/zinc/27/71/68/1129277168.db2.gz NUDJUWSINUAMFH-LJQANCHMSA-N 2 1 299.462 3.501 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226973 1129295407 /nfs/dbraw/zinc/29/54/07/1129295407.db2.gz JKIWRQUXJKCLTN-PKOBYXMFSA-N 2 1 284.447 3.910 20 30 CHEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639226973 1129295412 /nfs/dbraw/zinc/29/54/12/1129295412.db2.gz JKIWRQUXJKCLTN-PKOBYXMFSA-N 2 1 284.447 3.910 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639306474 1129301610 /nfs/dbraw/zinc/30/16/10/1129301610.db2.gz DOGOTHKTTBEDTL-SJLPKXTDSA-N 2 1 270.420 3.520 20 30 CHEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639306474 1129301614 /nfs/dbraw/zinc/30/16/14/1129301614.db2.gz DOGOTHKTTBEDTL-SJLPKXTDSA-N 2 1 270.420 3.520 20 30 CHEDMP CCCCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250807513 1129498582 /nfs/dbraw/zinc/49/85/82/1129498582.db2.gz GFDGWSHEZHJANM-SJORKVTESA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000232968040 1129515568 /nfs/dbraw/zinc/51/55/68/1129515568.db2.gz UQWPEOMFFZMTFB-MRXNPFEDSA-N 2 1 266.473 3.811 20 30 CHEDMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903427264 1130176029 /nfs/dbraw/zinc/17/60/29/1130176029.db2.gz UCMPLFSMXCJETI-NWDGAFQWSA-N 2 1 284.856 3.517 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031655 1130703724 /nfs/dbraw/zinc/70/37/24/1130703724.db2.gz NBLMQUSKGWFJJE-SFHVURJKSA-N 2 1 278.484 3.979 20 30 CHEDMP C=CCCCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092530 1130710224 /nfs/dbraw/zinc/71/02/24/1130710224.db2.gz LCOSDQHQLLULNN-UHFFFAOYSA-N 2 1 264.457 3.589 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109373 1130711287 /nfs/dbraw/zinc/71/12/87/1130711287.db2.gz CKHMCNOEDFZBJB-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109373 1130711290 /nfs/dbraw/zinc/71/12/90/1130711290.db2.gz CKHMCNOEDFZBJB-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235256985 1130728787 /nfs/dbraw/zinc/72/87/87/1130728787.db2.gz VSSSYWBCNJUHQX-AFYXXPPBSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235256985 1130728789 /nfs/dbraw/zinc/72/87/89/1130728789.db2.gz VSSSYWBCNJUHQX-AFYXXPPBSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235337189 1130733560 /nfs/dbraw/zinc/73/35/60/1130733560.db2.gz HCCIHTDLMUAWNS-MRXNPFEDSA-N 2 1 266.473 3.668 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399385 1130738527 /nfs/dbraw/zinc/73/85/27/1130738527.db2.gz AWHNOLLCHACELK-ZWKOTPCHSA-N 2 1 296.474 3.927 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399380 1130738797 /nfs/dbraw/zinc/73/87/97/1130738797.db2.gz AWHNOLLCHACELK-MSOLQXFVSA-N 2 1 296.474 3.927 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402841 1130739212 /nfs/dbraw/zinc/73/92/12/1130739212.db2.gz JVXCBBUNSSTCLI-CWDJHMJFSA-N 2 1 296.474 3.927 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402841 1130739216 /nfs/dbraw/zinc/73/92/16/1130739216.db2.gz JVXCBBUNSSTCLI-CWDJHMJFSA-N 2 1 296.474 3.927 20 30 CHEDMP CCCCCCCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001235664328 1130763801 /nfs/dbraw/zinc/76/38/01/1130763801.db2.gz QYNNDWUVAXUDHW-MRXNPFEDSA-N 2 1 254.462 3.668 20 30 CHEDMP N#CCC[N@@H+](CCC1CC[NH2+]CC1)C1CCCCCCC1 ZINC001235664341 1130764687 /nfs/dbraw/zinc/76/46/87/1130764687.db2.gz RMLKXVGYLPWAAH-UHFFFAOYSA-N 2 1 291.483 3.705 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001235748654 1130775976 /nfs/dbraw/zinc/77/59/76/1130775976.db2.gz DDGGTOKJGCZDBQ-MRXNPFEDSA-N 2 1 252.446 3.574 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950885 1130814886 /nfs/dbraw/zinc/81/48/86/1130814886.db2.gz OMMQHZYZBKUKFL-FVNWOWOISA-N 2 1 266.473 3.835 20 30 CHEDMP CCCCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000784253901 1130894723 /nfs/dbraw/zinc/89/47/23/1130894723.db2.gz FBDUUQRKRGGGEL-UHFFFAOYSA-N 2 1 252.446 3.517 20 30 CHEDMP CCCCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000784253901 1130894729 /nfs/dbraw/zinc/89/47/29/1130894729.db2.gz FBDUUQRKRGGGEL-UHFFFAOYSA-N 2 1 252.446 3.517 20 30 CHEDMP C=CCCCC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270085 1130910415 /nfs/dbraw/zinc/91/04/15/1130910415.db2.gz PVJYMNOIUSYSLL-GOSISDBHSA-N 2 1 272.436 3.597 20 30 CHEDMP C=CCCCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270085 1130910418 /nfs/dbraw/zinc/91/04/18/1130910418.db2.gz PVJYMNOIUSYSLL-GOSISDBHSA-N 2 1 272.436 3.597 20 30 CHEDMP C=CCCC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451809 1130945348 /nfs/dbraw/zinc/94/53/48/1130945348.db2.gz WBDJFUVLKSTQGH-UHFFFAOYSA-N 2 1 292.854 3.860 20 30 CHEDMP C=CCCC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451809 1130945350 /nfs/dbraw/zinc/94/53/50/1130945350.db2.gz WBDJFUVLKSTQGH-UHFFFAOYSA-N 2 1 292.854 3.860 20 30 CHEDMP C=CCCC[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481077 1130952402 /nfs/dbraw/zinc/95/24/02/1130952402.db2.gz ONMOLZZKMYGEDO-UHFFFAOYSA-N 2 1 290.426 3.654 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278253724 1131219693 /nfs/dbraw/zinc/21/96/93/1131219693.db2.gz LOIPRYZIPKYWIC-SFHVURJKSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278253724 1131219698 /nfs/dbraw/zinc/21/96/98/1131219698.db2.gz LOIPRYZIPKYWIC-SFHVURJKSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278253724 1131219703 /nfs/dbraw/zinc/21/97/03/1131219703.db2.gz LOIPRYZIPKYWIC-SFHVURJKSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001278253709 1131220000 /nfs/dbraw/zinc/22/00/00/1131220000.db2.gz LCWXYQFUHILGPM-UHFFFAOYSA-N 2 1 276.468 3.683 20 30 CHEDMP C=CCCCC[N@H+](C)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246869946 1131797861 /nfs/dbraw/zinc/79/78/61/1131797861.db2.gz JGXSNCCMFSXEJV-ZSHCYNCHSA-N 2 1 252.446 3.584 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718471 1132030066 /nfs/dbraw/zinc/03/00/66/1132030066.db2.gz ONHYGIVJFIOLQE-KANFNMMFSA-N 2 1 284.447 3.594 20 30 CHEDMP CC1(C)C[C@H]([NH2+]CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171972913 1132118190 /nfs/dbraw/zinc/11/81/90/1132118190.db2.gz UHEOQKNJVKZLLP-GOSISDBHSA-N 2 1 299.462 3.713 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978022 1132119824 /nfs/dbraw/zinc/11/98/24/1132119824.db2.gz FIFFPUBEQMYZFW-LJQANCHMSA-N 2 1 298.474 3.823 20 30 CHEDMP CCCCCCC[C@@H](CC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172356181 1132186119 /nfs/dbraw/zinc/18/61/19/1132186119.db2.gz UWOCYMSFOVCRRH-MRXNPFEDSA-N 2 1 277.456 3.880 20 30 CHEDMP CCCCCCC[C@@H](CC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172356181 1132186123 /nfs/dbraw/zinc/18/61/23/1132186123.db2.gz UWOCYMSFOVCRRH-MRXNPFEDSA-N 2 1 277.456 3.880 20 30 CHEDMP CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001173111719 1132393482 /nfs/dbraw/zinc/39/34/82/1132393482.db2.gz KHJVIUMPVCQJBM-UHFFFAOYSA-N 2 1 299.462 3.643 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984114 1133637960 /nfs/dbraw/zinc/63/79/60/1133637960.db2.gz RBRXGARXQSPYFN-HOTGVXAUSA-N 2 1 254.462 3.654 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209207358 1133988221 /nfs/dbraw/zinc/98/82/21/1133988221.db2.gz VLKHSYFHDWKMPL-WOJBJXKFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209207358 1133988225 /nfs/dbraw/zinc/98/82/25/1133988225.db2.gz VLKHSYFHDWKMPL-WOJBJXKFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161832 1135203444 /nfs/dbraw/zinc/20/34/44/1135203444.db2.gz REFVRBONAVJBRT-GOSISDBHSA-N 2 1 278.484 3.979 20 30 CHEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000365442362 262365492 /nfs/dbraw/zinc/36/54/92/262365492.db2.gz JQLJGUPBXJWZCZ-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP N#CCCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450573 263155101 /nfs/dbraw/zinc/15/51/01/263155101.db2.gz NNOGPOFNBACNFW-QRVBRYPASA-N 2 1 297.446 3.638 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)C(C)(C)C)CC1 ZINC000453106253 263188822 /nfs/dbraw/zinc/18/88/22/263188822.db2.gz YKNCGHALKJPWCR-MRXNPFEDSA-N 2 1 266.473 3.831 20 30 CHEDMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C[C@@H]1c1ccccc1 ZINC000340393480 328269881 /nfs/dbraw/zinc/26/98/81/328269881.db2.gz PQJSIQQXIRVXNO-ZWKOTPCHSA-N 2 1 299.462 3.741 20 30 CHEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C[C@@H]1c1ccccc1 ZINC000340393480 328269882 /nfs/dbraw/zinc/26/98/82/328269882.db2.gz PQJSIQQXIRVXNO-ZWKOTPCHSA-N 2 1 299.462 3.741 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000194383963 328529752 /nfs/dbraw/zinc/52/97/52/328529752.db2.gz NSGRNRUAQVBZNH-KRWDZBQOSA-N 2 1 286.463 3.810 20 30 CHEDMP C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000180948446 329224140 /nfs/dbraw/zinc/22/41/40/329224140.db2.gz XJXALLOUYUOYEU-KGLIPLIRSA-N 2 1 269.392 3.796 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453093171 331088530 /nfs/dbraw/zinc/08/85/30/331088530.db2.gz FJSAHVXYJQJYQO-UHFFFAOYSA-N 2 1 298.474 3.564 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453309037 331114414 /nfs/dbraw/zinc/11/44/14/331114414.db2.gz ORJPKQFQKIPWLT-AEFFLSMTSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453309037 331114415 /nfs/dbraw/zinc/11/44/15/331114415.db2.gz ORJPKQFQKIPWLT-AEFFLSMTSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463274033 331344843 /nfs/dbraw/zinc/34/48/43/331344843.db2.gz BWQFUHRJFJJXPX-PKOBYXMFSA-N 2 1 286.463 3.985 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463274033 331344844 /nfs/dbraw/zinc/34/48/44/331344844.db2.gz BWQFUHRJFJJXPX-PKOBYXMFSA-N 2 1 286.463 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000468368735 331433030 /nfs/dbraw/zinc/43/30/30/331433030.db2.gz WJJYXXLOJDAVEF-WOJBJXKFSA-N 2 1 298.474 3.953 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(CC)CC2)CC1 ZINC000174363542 335153264 /nfs/dbraw/zinc/15/32/64/335153264.db2.gz XTAZKLGMXCUJNV-UHFFFAOYSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]CC(CC)(CC)CC)CC1 ZINC000544032274 333911454 /nfs/dbraw/zinc/91/14/54/333911454.db2.gz KMXWMHMGYXRCFA-UHFFFAOYSA-N 2 1 266.473 3.833 20 30 CHEDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833104 522615704 /nfs/dbraw/zinc/61/57/04/522615704.db2.gz UFUJGPUGRXJIHX-HKUYNNGSSA-N 2 1 299.462 3.719 20 30 CHEDMP CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246794835 1131783040 /nfs/dbraw/zinc/78/30/40/1131783040.db2.gz HDLNOJKQZCWGMK-HOTGVXAUSA-N 2 1 254.462 3.796 20 30 CHEDMP C#CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245670558 1125587119 /nfs/dbraw/zinc/58/71/19/1125587119.db2.gz HGSIXLQQAVTOKS-OWZKRDHZSA-N 2 1 296.458 3.575 20 30 CHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248730614 1125674428 /nfs/dbraw/zinc/67/44/28/1125674428.db2.gz DEEFBHLKGGPTAU-VQIMIIECSA-N 2 1 299.462 3.699 20 30 CHEDMP Cc1[nH]c(C2CC[NH+](CCCC(C)(C)C#N)CC2)[nH+]c1C ZINC000886666143 1125705220 /nfs/dbraw/zinc/70/52/20/1125705220.db2.gz NQYSTDNNRKLXNB-UHFFFAOYSA-N 2 1 288.439 3.536 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000162043813 1125735340 /nfs/dbraw/zinc/73/53/40/1125735340.db2.gz OYOLSXHVYQTOBS-UHFFFAOYSA-N 2 1 296.817 3.609 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918693 1126758700 /nfs/dbraw/zinc/75/87/00/1126758700.db2.gz DYTNBFTXJBUUQA-OTWHNJEPSA-N 2 1 284.447 3.910 20 30 CHEDMP CCCCCCCCCC[N@@H+](C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236424108 1130936777 /nfs/dbraw/zinc/93/67/77/1130936777.db2.gz REQOVIRNXYNFKP-FVQHAEBGSA-N 2 1 266.473 3.524 20 30 CHEDMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000269137071 1127035812 /nfs/dbraw/zinc/03/58/12/1127035812.db2.gz UIBLXWDCWOQYOT-HNNXBMFYSA-N 2 1 296.418 3.536 20 30 CHEDMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000269137071 1127035815 /nfs/dbraw/zinc/03/58/15/1127035815.db2.gz UIBLXWDCWOQYOT-HNNXBMFYSA-N 2 1 296.418 3.536 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000286275073 1127263860 /nfs/dbraw/zinc/26/38/60/1127263860.db2.gz VNJBNIOESXGBKZ-HZPDHXFCSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000286275073 1127263862 /nfs/dbraw/zinc/26/38/62/1127263862.db2.gz VNJBNIOESXGBKZ-HZPDHXFCSA-N 2 1 276.424 3.608 20 30 CHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411310939 1127853059 /nfs/dbraw/zinc/85/30/59/1127853059.db2.gz VYNOJDNODLCPPH-QGZVFWFLSA-N 2 1 291.483 3.514 20 30 CHEDMP C[C@@H](CCC#N)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000411350614 1127856867 /nfs/dbraw/zinc/85/68/67/1127856867.db2.gz SGQUCFVWBHJBBS-SJORKVTESA-N 2 1 291.483 3.655 20 30 CHEDMP C=CCCC[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000540296778 1127972765 /nfs/dbraw/zinc/97/27/65/1127972765.db2.gz CKHWJSYTIZAHJT-HOTGVXAUSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000540296778 1127972767 /nfs/dbraw/zinc/97/27/67/1127972767.db2.gz CKHWJSYTIZAHJT-HOTGVXAUSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000540296778 1127972771 /nfs/dbraw/zinc/97/27/71/1127972771.db2.gz CKHWJSYTIZAHJT-HOTGVXAUSA-N 2 1 252.446 3.537 20 30 CHEDMP C=C(C)CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000470906981 1128080324 /nfs/dbraw/zinc/08/03/24/1128080324.db2.gz QLPKUCUNIVXFPD-SFHVURJKSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000470906981 1128080330 /nfs/dbraw/zinc/08/03/30/1128080330.db2.gz QLPKUCUNIVXFPD-SFHVURJKSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000470906981 1128080335 /nfs/dbraw/zinc/08/03/35/1128080335.db2.gz QLPKUCUNIVXFPD-SFHVURJKSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000470906981 1128080339 /nfs/dbraw/zinc/08/03/39/1128080339.db2.gz QLPKUCUNIVXFPD-SFHVURJKSA-N 2 1 272.436 3.549 20 30 CHEDMP C=C(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000470906981 1128080344 /nfs/dbraw/zinc/08/03/44/1128080344.db2.gz QLPKUCUNIVXFPD-SFHVURJKSA-N 2 1 272.436 3.549 20 30 CHEDMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443990565 1128109649 /nfs/dbraw/zinc/10/96/49/1128109649.db2.gz TWMDUKJXVIQYAV-KRWDZBQOSA-N 2 1 299.462 3.611 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779752 1128287155 /nfs/dbraw/zinc/28/71/55/1128287155.db2.gz IJTQFSTXHDRZSE-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779752 1128287157 /nfs/dbraw/zinc/28/71/57/1128287157.db2.gz IJTQFSTXHDRZSE-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779752 1128287160 /nfs/dbraw/zinc/28/71/60/1128287160.db2.gz IJTQFSTXHDRZSE-IAGOWNOFSA-N 2 1 291.483 3.655 20 30 CHEDMP C=CCCCC[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001209208644 1118012565 /nfs/dbraw/zinc/01/25/65/1118012565.db2.gz VXBKXZPUQSYBRF-UHFFFAOYSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209446346 1118064875 /nfs/dbraw/zinc/06/48/75/1118064875.db2.gz XLIGSPHDJVORDN-SFHVURJKSA-N 2 1 278.484 3.931 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209446346 1118064879 /nfs/dbraw/zinc/06/48/79/1118064879.db2.gz XLIGSPHDJVORDN-SFHVURJKSA-N 2 1 278.484 3.931 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209446346 1118064883 /nfs/dbraw/zinc/06/48/83/1118064883.db2.gz XLIGSPHDJVORDN-SFHVURJKSA-N 2 1 278.484 3.931 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398210903 1118500890 /nfs/dbraw/zinc/50/08/90/1118500890.db2.gz PNTWIOYJFALVSP-LNLFQRSKSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398210903 1118500893 /nfs/dbraw/zinc/50/08/93/1118500893.db2.gz PNTWIOYJFALVSP-LNLFQRSKSA-N 2 1 286.463 3.841 20 30 CHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000695843762 1120517045 /nfs/dbraw/zinc/51/70/45/1120517045.db2.gz RIEFOZZBUADFRP-HNNXBMFYSA-N 2 1 279.472 3.559 20 30 CHEDMP CCCCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385555 1120572724 /nfs/dbraw/zinc/57/27/24/1120572724.db2.gz QDOOYSKSHBCDGJ-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385555 1120572729 /nfs/dbraw/zinc/57/27/29/1120572729.db2.gz QDOOYSKSHBCDGJ-MRXNPFEDSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663315769 1120922297 /nfs/dbraw/zinc/92/22/97/1120922297.db2.gz MNBICCXOAWEANY-UHFFFAOYSA-N 2 1 286.463 3.940 20 30 CHEDMP CCCCCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000059474609 1121170665 /nfs/dbraw/zinc/17/06/65/1121170665.db2.gz VHALIZBBYCVVEE-OAHLLOKOSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175069917 1121172447 /nfs/dbraw/zinc/17/24/47/1121172447.db2.gz JUBIPXWVLJEJCV-FVQHAEBGSA-N 2 1 266.473 3.619 20 30 CHEDMP CCCCCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175069917 1121172451 /nfs/dbraw/zinc/17/24/51/1121172451.db2.gz JUBIPXWVLJEJCV-FVQHAEBGSA-N 2 1 266.473 3.619 20 30 CHEDMP C=CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccs1 ZINC000923301409 1121557139 /nfs/dbraw/zinc/55/71/39/1121557139.db2.gz HAHMLXFHOKPKBQ-MQVJKMGUSA-N 2 1 290.476 3.657 20 30 CHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576904 /nfs/dbraw/zinc/57/69/04/1121576904.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576909 /nfs/dbraw/zinc/57/69/09/1121576909.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576914 /nfs/dbraw/zinc/57/69/14/1121576914.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 2 1 291.483 3.513 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccs2)CC1 ZINC000152985452 1129014967 /nfs/dbraw/zinc/01/49/67/1129014967.db2.gz KYAKDDBCCVFJKC-HNNXBMFYSA-N 2 1 278.465 3.829 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542072 1122190527 /nfs/dbraw/zinc/19/05/27/1122190527.db2.gz QQTRLLKRULTAEC-MRXNPFEDSA-N 2 1 254.462 3.798 20 30 CHEDMP CCC#C[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001190792372 1122556540 /nfs/dbraw/zinc/55/65/40/1122556540.db2.gz VGYPORNAOXUWHY-GOSISDBHSA-N 2 1 298.474 3.632 20 30 CHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(C)(C)CCC#N ZINC000895686307 1123504821 /nfs/dbraw/zinc/50/48/21/1123504821.db2.gz QYNXVULGMKHHAT-UHFFFAOYSA-N 2 1 279.472 3.514 20 30 CHEDMP C=CC[NH+](C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065671 1123875445 /nfs/dbraw/zinc/87/54/45/1123875445.db2.gz XKZWKBKPQHFPND-ALXJQNPVSA-N 2 1 272.436 3.546 20 30 CHEDMP C=CC[N@@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065671 1123875449 /nfs/dbraw/zinc/87/54/49/1123875449.db2.gz XKZWKBKPQHFPND-ALXJQNPVSA-N 2 1 272.436 3.546 20 30 CHEDMP C=CC[N@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065671 1123875453 /nfs/dbraw/zinc/87/54/53/1123875453.db2.gz XKZWKBKPQHFPND-ALXJQNPVSA-N 2 1 272.436 3.546 20 30 CHEDMP C=C(C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159060234 1129158293 /nfs/dbraw/zinc/15/82/93/1129158293.db2.gz VGFFJLGWPLPFEX-MRXNPFEDSA-N 2 1 264.457 3.539 20 30 CHEDMP C[C@H]1CCC[C@](C[NH2+]C2CCC(C)(C#N)CC2)([NH+](C)C)C1 ZINC000449086694 1124644637 /nfs/dbraw/zinc/64/46/37/1124644637.db2.gz SIGKKDUGEORHHS-BFWZDYSYSA-N 2 1 291.483 3.559 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246045450 1131277676 /nfs/dbraw/zinc/27/76/76/1131277676.db2.gz VJFJXWVETBNLKS-ZWKOTPCHSA-N 2 1 298.515 3.549 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449487113 1124765726 /nfs/dbraw/zinc/76/57/26/1124765726.db2.gz WUVOCJNJRVYJNJ-SJLPKXTDSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449487113 1124765718 /nfs/dbraw/zinc/76/57/18/1124765718.db2.gz WUVOCJNJRVYJNJ-SJLPKXTDSA-N 2 1 286.463 3.841 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000883171659 1125375096 /nfs/dbraw/zinc/37/50/96/1125375096.db2.gz FBTWTEKKMFGSGA-RBUKOAKNSA-N 2 1 298.474 3.638 20 30 CHEDMP CCCCCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741790798 1129453089 /nfs/dbraw/zinc/45/30/89/1129453089.db2.gz LVZKXTHLBNEYHJ-HZPDHXFCSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741790798 1129453086 /nfs/dbraw/zinc/45/30/86/1129453086.db2.gz LVZKXTHLBNEYHJ-HZPDHXFCSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741790798 1129453081 /nfs/dbraw/zinc/45/30/81/1129453081.db2.gz LVZKXTHLBNEYHJ-HZPDHXFCSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741790798 1129453084 /nfs/dbraw/zinc/45/30/84/1129453084.db2.gz LVZKXTHLBNEYHJ-HZPDHXFCSA-N 2 1 254.462 3.761 20 30 CHEDMP CCCCCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000744418869 1129576272 /nfs/dbraw/zinc/57/62/72/1129576272.db2.gz GHIVQDFFKOZWBQ-MRXNPFEDSA-N 2 1 254.462 3.621 20 30 CHEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258723559 1129580447 /nfs/dbraw/zinc/58/04/47/1129580447.db2.gz YCHAJJOQJGIUTO-WBVHZDCISA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258723559 1129580450 /nfs/dbraw/zinc/58/04/50/1129580450.db2.gz YCHAJJOQJGIUTO-WBVHZDCISA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001258728789 1129588222 /nfs/dbraw/zinc/58/82/22/1129588222.db2.gz QEXCLROLAHEYHS-MRXNPFEDSA-N 2 1 276.468 3.682 20 30 CHEDMP CCCCCCC[N@@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139478 1129702352 /nfs/dbraw/zinc/70/23/52/1129702352.db2.gz NMWUJXSUHNNNQD-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139478 1129702355 /nfs/dbraw/zinc/70/23/55/1129702355.db2.gz NMWUJXSUHNNNQD-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139478 1129702357 /nfs/dbraw/zinc/70/23/57/1129702357.db2.gz NMWUJXSUHNNNQD-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@]2(C)CC)CC1 ZINC000651700457 1129744105 /nfs/dbraw/zinc/74/41/05/1129744105.db2.gz GCTHMXJQLJTMKP-DLBZAZTESA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(C#N)c2)CC1 ZINC000902795730 1130059516 /nfs/dbraw/zinc/05/95/16/1130059516.db2.gz JGGIREKDKQAFIS-IBGZPJMESA-N 2 1 297.446 3.639 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678769134 1130452634 /nfs/dbraw/zinc/45/26/34/1130452634.db2.gz LOYWLDJMIXBSDZ-UZLBHIALSA-N 2 1 298.474 3.940 20 30 CHEDMP C=CCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001170206476 1130458119 /nfs/dbraw/zinc/45/81/19/1130458119.db2.gz VBOPAMDXQOZURH-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001170206476 1130458126 /nfs/dbraw/zinc/45/81/26/1130458126.db2.gz VBOPAMDXQOZURH-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000793517440 1130561397 /nfs/dbraw/zinc/56/13/97/1130561397.db2.gz NPLMTWTXNZRITR-OAHLLOKOSA-N 2 1 252.446 3.585 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991019 1130701133 /nfs/dbraw/zinc/70/11/33/1130701133.db2.gz FPBSNGCTRCMFSV-KRWDZBQOSA-N 2 1 266.473 3.813 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030921 1130702223 /nfs/dbraw/zinc/70/22/23/1130702223.db2.gz IGRKUXMIXOMRBC-KBOKABMXSA-N 2 1 264.457 3.589 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394233 1130739423 /nfs/dbraw/zinc/73/94/23/1130739423.db2.gz CONCELJABRLPHV-IBHATUTGSA-N 2 1 296.474 3.912 20 30 CHEDMP CCCCCCC[N@@H+](CC)CCC12CC([NH3+])(C1)C2 ZINC001235660614 1130761839 /nfs/dbraw/zinc/76/18/39/1130761839.db2.gz HLOILPIUNHKWSP-UHFFFAOYSA-N 2 1 252.446 3.550 20 30 CHEDMP C=CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC001236432543 1130941043 /nfs/dbraw/zinc/94/10/43/1130941043.db2.gz ACQLFZTUIJOPFH-UHFFFAOYSA-N 2 1 290.476 3.715 20 30 CHEDMP C#Cc1cccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236571943 1130978698 /nfs/dbraw/zinc/97/86/98/1130978698.db2.gz NLQMZUGMNAYLCI-KESTWPANSA-N 2 1 296.458 3.682 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000823676652 1131438640 /nfs/dbraw/zinc/43/86/40/1131438640.db2.gz HAINIJVXBIRIBD-HNNXBMFYSA-N 2 1 298.434 3.800 20 30 CHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938333 1131609839 /nfs/dbraw/zinc/60/98/39/1131609839.db2.gz GPVHSCHGCWDHJG-AFYVEPGGSA-N 2 1 298.474 3.666 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156947 1132122785 /nfs/dbraw/zinc/12/27/85/1132122785.db2.gz UQGJPFSHRQBAGV-OFTJQPPSSA-N 2 1 270.436 3.664 20 30 CHEDMP C=CCCCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000839109086 1132181791 /nfs/dbraw/zinc/18/17/91/1132181791.db2.gz MPGINRQSUWGRNC-UHFFFAOYSA-N 2 1 264.457 3.729 20 30 CHEDMP C[C@H](CCCC#N)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172492334 1132246793 /nfs/dbraw/zinc/24/67/93/1132246793.db2.gz MLXULZLAUXOIOG-QGZVFWFLSA-N 2 1 299.462 3.713 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094173 1133527451 /nfs/dbraw/zinc/52/74/51/1133527451.db2.gz JWOYVUJWOATDPV-ROJDOSBLSA-N 2 1 252.446 3.716 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC1 ZINC001205605002 1133593629 /nfs/dbraw/zinc/59/36/29/1133593629.db2.gz YNHMTEBKITUVOH-JQHSSLGASA-N 2 1 276.468 3.596 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984113 1133637994 /nfs/dbraw/zinc/63/79/94/1133637994.db2.gz RBRXGARXQSPYFN-CVEARBPZSA-N 2 1 254.462 3.654 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257650 1133677331 /nfs/dbraw/zinc/67/73/31/1133677331.db2.gz GJUDQAUTYIWQBS-INIZCTEOSA-N 2 1 252.446 3.587 20 30 CHEDMP C=CCCC[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209166343 1133984329 /nfs/dbraw/zinc/98/43/29/1133984329.db2.gz YXQZCSHBQPHUFO-UHFFFAOYSA-N 2 1 264.457 3.682 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209440773 1134021153 /nfs/dbraw/zinc/02/11/53/1134021153.db2.gz CXQQUXYVOBIXET-UHFFFAOYSA-N 2 1 278.484 3.931 20 30 CHEDMP C=CCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209448993 1134023400 /nfs/dbraw/zinc/02/34/00/1134023400.db2.gz OPQDTUQGHXMNGN-UHFFFAOYSA-N 2 1 286.463 3.941 20 30 CHEDMP CCCCCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307732 1135221861 /nfs/dbraw/zinc/22/18/61/1135221861.db2.gz ATICIYYMXLKQGM-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000297542401 260128712 /nfs/dbraw/zinc/12/87/12/260128712.db2.gz FCRJNGXGRQFPMX-AWEZNQCLSA-N 2 1 278.465 3.748 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccccc3C)C2)CC1 ZINC000127420647 264256074 /nfs/dbraw/zinc/25/60/74/264256074.db2.gz PQZPUYDPYIJHIC-UHFFFAOYSA-N 2 1 298.474 3.871 20 30 CHEDMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C[C@H]1c1ccccc1 ZINC000340393473 328269852 /nfs/dbraw/zinc/26/98/52/328269852.db2.gz PQJSIQQXIRVXNO-MSOLQXFVSA-N 2 1 299.462 3.741 20 30 CHEDMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C[C@H]1c1ccccc1 ZINC000340393473 328269854 /nfs/dbraw/zinc/26/98/54/328269854.db2.gz PQJSIQQXIRVXNO-MSOLQXFVSA-N 2 1 299.462 3.741 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000558974433 327135969 /nfs/dbraw/zinc/13/59/69/327135969.db2.gz COQNAWPANMAILT-VDGAXYAQSA-N 2 1 298.474 3.809 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000152943036 327161071 /nfs/dbraw/zinc/16/10/71/327161071.db2.gz QXZVEGDYPGSJNX-FQEVSTJZSA-N 2 1 298.474 3.638 20 30 CHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000119656714 330378160 /nfs/dbraw/zinc/37/81/60/330378160.db2.gz POTQSKYZACELRR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000119656714 330378161 /nfs/dbraw/zinc/37/81/61/330378161.db2.gz POTQSKYZACELRR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000119656714 330378162 /nfs/dbraw/zinc/37/81/62/330378162.db2.gz POTQSKYZACELRR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119656714 330378163 /nfs/dbraw/zinc/37/81/63/330378163.db2.gz POTQSKYZACELRR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119656714 330378164 /nfs/dbraw/zinc/37/81/64/330378164.db2.gz POTQSKYZACELRR-DLBZAZTESA-N 2 1 291.483 3.513 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000459727205 331296197 /nfs/dbraw/zinc/29/61/97/331296197.db2.gz FXPLLMZAVVSNFG-AWEZNQCLSA-N 2 1 296.418 3.771 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463246462 331344095 /nfs/dbraw/zinc/34/40/95/331344095.db2.gz CVJHTJMUTDONOL-NZSAHSFTSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463246462 331344096 /nfs/dbraw/zinc/34/40/96/331344096.db2.gz CVJHTJMUTDONOL-NZSAHSFTSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000488467086 332012131 /nfs/dbraw/zinc/01/21/31/332012131.db2.gz QOSQBMLUCWKLLZ-JKSUJKDBSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000488467086 332012132 /nfs/dbraw/zinc/01/21/32/332012132.db2.gz QOSQBMLUCWKLLZ-JKSUJKDBSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000488467086 332012133 /nfs/dbraw/zinc/01/21/33/332012133.db2.gz QOSQBMLUCWKLLZ-JKSUJKDBSA-N 2 1 252.446 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000177313767 333057436 /nfs/dbraw/zinc/05/74/36/333057436.db2.gz SXWCEPRBBTVRTE-KRWDZBQOSA-N 2 1 286.463 3.638 20 30 CHEDMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000538395477 333588514 /nfs/dbraw/zinc/58/85/14/333588514.db2.gz DKARVJOQVKIGHN-INIZCTEOSA-N 2 1 287.451 3.721 20 30 CHEDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174376248 335153564 /nfs/dbraw/zinc/15/35/64/335153564.db2.gz NBWDWAYAEXYQFV-INIZCTEOSA-N 2 1 293.499 3.807 20 30 CHEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174376248 335153565 /nfs/dbraw/zinc/15/35/65/335153565.db2.gz NBWDWAYAEXYQFV-INIZCTEOSA-N 2 1 293.499 3.807 20 30 CHEDMP C=CC[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552275451 334311460 /nfs/dbraw/zinc/31/14/60/334311460.db2.gz WGQXBEAJJFLGKX-IPJUCJBFSA-N 2 1 286.463 3.984 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000152943157 334529061 /nfs/dbraw/zinc/52/90/61/334529061.db2.gz QXZVEGDYPGSJNX-HXUWFJFHSA-N 2 1 298.474 3.638 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000152983157 334535542 /nfs/dbraw/zinc/53/55/42/334535542.db2.gz BVFKLWPIVYUNBD-KRWDZBQOSA-N 2 1 286.463 3.995 20 30 CHEDMP C=C[C@@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1C=C ZINC000581107547 336009122 /nfs/dbraw/zinc/00/91/22/336009122.db2.gz JSUBJMFIRWCPJT-QZTJIDSGSA-N 2 1 276.468 3.848 20 30 CHEDMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000278673127 522579359 /nfs/dbraw/zinc/57/93/59/522579359.db2.gz JIPYJBAZZOLFBG-SFHVURJKSA-N 2 1 296.418 3.584 20 30 CHEDMP C=C(Cl)C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC(=C)Cl)CC1 ZINC000886386791 1125676531 /nfs/dbraw/zinc/67/65/31/1125676531.db2.gz HFUMSBLSXNAMCQ-HDJSIYSDSA-N 2 1 291.266 3.666 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000153027819 1126757783 /nfs/dbraw/zinc/75/77/83/1126757783.db2.gz FAZRSPOZIPUTRN-AWEZNQCLSA-N 2 1 276.399 3.517 20 30 CHEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000793526206 1130563607 /nfs/dbraw/zinc/56/36/07/1130563607.db2.gz KXLSAOPFKPBECS-SJORKVTESA-N 2 1 266.473 3.833 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380208 1131092035 /nfs/dbraw/zinc/09/20/35/1131092035.db2.gz FZKSWQRWTQVONU-QZTJIDSGSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866451 1127430512 /nfs/dbraw/zinc/43/05/12/1127430512.db2.gz MQUZITCUZLYBOY-HRCADAONSA-N 2 1 254.462 3.808 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226866451 1127430513 /nfs/dbraw/zinc/43/05/13/1127430513.db2.gz MQUZITCUZLYBOY-HRCADAONSA-N 2 1 254.462 3.808 20 30 CHEDMP CCC1([NH+](C)C)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000602966471 1127622370 /nfs/dbraw/zinc/62/23/70/1127622370.db2.gz GQVUVWQNERPHSG-UHFFFAOYSA-N 2 1 291.483 3.657 20 30 CHEDMP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000296575195 1127676836 /nfs/dbraw/zinc/67/68/36/1127676836.db2.gz TXSBMHMOWLFYAA-UYTSQGDYSA-N 2 1 274.408 3.502 20 30 CHEDMP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000296575195 1127676838 /nfs/dbraw/zinc/67/68/38/1127676838.db2.gz TXSBMHMOWLFYAA-UYTSQGDYSA-N 2 1 274.408 3.502 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000544359931 1127969876 /nfs/dbraw/zinc/96/98/76/1127969876.db2.gz PYLKZSANTNAYGO-MRXNPFEDSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235255198 1128316079 /nfs/dbraw/zinc/31/60/79/1128316079.db2.gz LPXOBLNEVTZXLV-ROUUACIJSA-N 2 1 278.484 3.977 20 30 CHEDMP C=C(Cl)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000763430273 1128569298 /nfs/dbraw/zinc/56/92/98/1128569298.db2.gz DJLPXDYQQOYYDG-OAHLLOKOSA-N 2 1 284.875 3.715 20 30 CHEDMP C=C(Cl)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763430273 1128569300 /nfs/dbraw/zinc/56/93/00/1128569300.db2.gz DJLPXDYQQOYYDG-OAHLLOKOSA-N 2 1 284.875 3.715 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157744444 1128662277 /nfs/dbraw/zinc/66/22/77/1128662277.db2.gz MQUZITCUZLYBOY-ARFHVFGLSA-N 2 1 254.462 3.808 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157744444 1128662280 /nfs/dbraw/zinc/66/22/80/1128662280.db2.gz MQUZITCUZLYBOY-ARFHVFGLSA-N 2 1 254.462 3.808 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001258049168 1128688823 /nfs/dbraw/zinc/68/88/23/1128688823.db2.gz AQQXQNCRPNLGEF-GVDBMIGSSA-N 2 1 266.473 3.761 20 30 CHEDMP C=CCCCCCCC[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768097 1117828681 /nfs/dbraw/zinc/82/86/81/1117828681.db2.gz HBELMZCQYPIRHN-CVEARBPZSA-N 2 1 252.446 3.572 20 30 CHEDMP C=CCCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001167255915 1118123750 /nfs/dbraw/zinc/12/37/50/1118123750.db2.gz QBBQRBAKFGHODA-SFHVURJKSA-N 2 1 278.484 3.787 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000471584532 1118466894 /nfs/dbraw/zinc/46/68/94/1118466894.db2.gz HKJIZGRHUDLTHJ-SLFFLAALSA-N 2 1 298.474 3.843 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471585254 1118468682 /nfs/dbraw/zinc/46/86/82/1118468682.db2.gz LBHRCHOTRVBNNJ-MJGOQNOKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471585254 1118468684 /nfs/dbraw/zinc/46/86/84/1118468684.db2.gz LBHRCHOTRVBNNJ-MJGOQNOKSA-N 2 1 286.463 3.843 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657352202 1119019838 /nfs/dbraw/zinc/01/98/38/1119019838.db2.gz FGOYXYGFVFWKTA-UHFFFAOYSA-N 2 1 297.446 3.606 20 30 CHEDMP C=CCC[NH+](C)Cc1ccc(C[N@@H+](C)CCC=C)cc1 ZINC000342730264 1119146993 /nfs/dbraw/zinc/14/69/93/1119146993.db2.gz JFWRHNRJWZRMSX-UHFFFAOYSA-N 2 1 272.436 3.702 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)Cc2ccccc2)CC1 ZINC000153015173 1119150422 /nfs/dbraw/zinc/15/04/22/1119150422.db2.gz CLDULWDHFNTPBX-GOSISDBHSA-N 2 1 286.463 3.638 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)Cc2ccccc2)CC1 ZINC000153015034 1119151471 /nfs/dbraw/zinc/15/14/71/1119151471.db2.gz CLDULWDHFNTPBX-SFHVURJKSA-N 2 1 286.463 3.638 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000245921275 1119385813 /nfs/dbraw/zinc/38/58/13/1119385813.db2.gz GKRWDJQSJKLZBP-FUHWJXTLSA-N 2 1 278.484 3.833 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000765837815 1120116448 /nfs/dbraw/zinc/11/64/48/1120116448.db2.gz VHJUMCKWOMUXCF-JENIJYKNSA-N 2 1 290.495 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CC)CC1 ZINC000181746639 1120143836 /nfs/dbraw/zinc/14/38/36/1120143836.db2.gz QWWSITGXPCDCKF-DOTOQJQBSA-N 2 1 264.457 3.585 20 30 CHEDMP C=C(Cl)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057924397 1120194529 /nfs/dbraw/zinc/19/45/29/1120194529.db2.gz FRECWZAKLQTZCT-UHFFFAOYSA-N 2 1 292.854 3.583 20 30 CHEDMP C=CCCCCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308760 1120533847 /nfs/dbraw/zinc/53/38/47/1120533847.db2.gz MFEXIJXSZDMQJH-KRWDZBQOSA-N 2 1 264.457 3.731 20 30 CHEDMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001167841361 1121056765 /nfs/dbraw/zinc/05/67/65/1121056765.db2.gz LGUNSGROAYDDML-INIZCTEOSA-N 2 1 287.451 3.501 20 30 CHEDMP C=CC[C@H](C)[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175380605 1121306826 /nfs/dbraw/zinc/30/68/26/1121306826.db2.gz ACFBVONREIQTAZ-DFQSSKMNSA-N 2 1 298.474 3.795 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709853053 1121374554 /nfs/dbraw/zinc/37/45/54/1121374554.db2.gz ZZTXBBNDNVPRQW-IAGOWNOFSA-N 2 1 266.473 3.811 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512661420 1121517696 /nfs/dbraw/zinc/51/76/96/1121517696.db2.gz SCWCSYFAGCYADZ-IJXRJRJASA-N 2 1 298.474 3.841 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000152958072 1129013934 /nfs/dbraw/zinc/01/39/34/1129013934.db2.gz QLVMZOICIWTSQN-QGZVFWFLSA-N 2 1 286.463 3.995 20 30 CHEDMP CC[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000366432766 1121960636 /nfs/dbraw/zinc/96/06/36/1121960636.db2.gz MSXNYKQFVXZJJV-ACBHZAAOSA-N 2 1 297.446 3.616 20 30 CHEDMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000366432766 1121960640 /nfs/dbraw/zinc/96/06/40/1121960640.db2.gz MSXNYKQFVXZJJV-ACBHZAAOSA-N 2 1 297.446 3.616 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000514805017 1122454342 /nfs/dbraw/zinc/45/43/42/1122454342.db2.gz ITTRZIJDBMBAEC-XHSDSOJGSA-N 2 1 276.424 3.749 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC1 ZINC001205605006 1122655541 /nfs/dbraw/zinc/65/55/41/1122655541.db2.gz YNHMTEBKITUVOH-NXHRZFHOSA-N 2 1 276.468 3.596 20 30 CHEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638750458 1122913743 /nfs/dbraw/zinc/91/37/43/1122913743.db2.gz ULOPABPTQPXRSV-YXJHDRRASA-N 2 1 270.420 3.519 20 30 CHEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638750458 1122913746 /nfs/dbraw/zinc/91/37/46/1122913746.db2.gz ULOPABPTQPXRSV-YXJHDRRASA-N 2 1 270.420 3.519 20 30 CHEDMP C=CCCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001196960460 1122941093 /nfs/dbraw/zinc/94/10/93/1122941093.db2.gz CXQTYDZWVSGIRX-WOJBJXKFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC001199037643 1123018916 /nfs/dbraw/zinc/01/89/16/1123018916.db2.gz BOMZCCXHOOSWKF-HKUYNNGSSA-N 2 1 286.463 3.843 20 30 CHEDMP CCCCCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001201874802 1123156810 /nfs/dbraw/zinc/15/68/10/1123156810.db2.gz GZQCHJUXSMXVQA-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001201874802 1123156813 /nfs/dbraw/zinc/15/68/13/1123156813.db2.gz GZQCHJUXSMXVQA-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001201874802 1123156815 /nfs/dbraw/zinc/15/68/15/1123156815.db2.gz GZQCHJUXSMXVQA-CALCHBBNSA-N 2 1 266.473 3.621 20 30 CHEDMP C=C(C)C[NH+]1CCC(NCc2ccc(Cl)c(F)c2)CC1 ZINC000106245366 1124018761 /nfs/dbraw/zinc/01/87/61/1124018761.db2.gz GBQGBBNGENHIHY-UHFFFAOYSA-N 2 1 296.817 3.609 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000106245366 1124018771 /nfs/dbraw/zinc/01/87/71/1124018771.db2.gz GBQGBBNGENHIHY-UHFFFAOYSA-N 2 1 296.817 3.609 20 30 CHEDMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC000444580853 1124043504 /nfs/dbraw/zinc/04/35/04/1124043504.db2.gz DTLSZFUPXYQCRA-UHFFFAOYSA-N 2 1 299.462 3.645 20 30 CHEDMP CCCCCCCCCCCC[C@H](O)C[NH2+][C@@H](C)C[NH3+] ZINC001245981830 1131264368 /nfs/dbraw/zinc/26/43/68/1131264368.db2.gz MXSOHUNRPGVILG-IRXDYDNUSA-N 2 1 286.504 3.595 20 30 CHEDMP C=CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000448028882 1124559048 /nfs/dbraw/zinc/55/90/48/1124559048.db2.gz PGNOJQXTAUKCKU-SLFFLAALSA-N 2 1 298.474 3.843 20 30 CHEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019549 1131274854 /nfs/dbraw/zinc/27/48/54/1131274854.db2.gz FVRXWRZBTFKHCQ-ROUUACIJSA-N 2 1 298.515 3.549 20 30 CHEDMP CCCCCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000741248701 1129432512 /nfs/dbraw/zinc/43/25/12/1129432512.db2.gz BEVMEXNDQNQVBY-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000741248701 1129432513 /nfs/dbraw/zinc/43/25/13/1129432513.db2.gz BEVMEXNDQNQVBY-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP CCCCCCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741248701 1129432515 /nfs/dbraw/zinc/43/25/15/1129432515.db2.gz BEVMEXNDQNQVBY-INIZCTEOSA-N 2 1 254.462 3.621 20 30 CHEDMP C=CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140647 1129706023 /nfs/dbraw/zinc/70/60/23/1129706023.db2.gz LCEBLSFBSLICHO-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140647 1129706026 /nfs/dbraw/zinc/70/60/26/1129706026.db2.gz LCEBLSFBSLICHO-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140647 1129706028 /nfs/dbraw/zinc/70/60/28/1129706028.db2.gz LCEBLSFBSLICHO-REPLKXPHSA-N 2 1 284.447 3.690 20 30 CHEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccco1 ZINC000650754204 1129722266 /nfs/dbraw/zinc/72/22/66/1129722266.db2.gz CXDDWJZASNIWGH-MRXNPFEDSA-N 2 1 288.366 3.675 20 30 CHEDMP CCCCCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235255963 1130728900 /nfs/dbraw/zinc/72/89/00/1130728900.db2.gz OMCNICNWVGPNJT-JYJNAYRXSA-N 2 1 252.446 3.549 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399384 1130738342 /nfs/dbraw/zinc/73/83/42/1130738342.db2.gz AWHNOLLCHACELK-ROUUACIJSA-N 2 1 296.474 3.927 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235397883 1130738545 /nfs/dbraw/zinc/73/85/45/1130738545.db2.gz RHAVWSMCQWOVMJ-IRXDYDNUSA-N 2 1 296.474 3.912 20 30 CHEDMP C=CCCCCCCCC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397881 1130738653 /nfs/dbraw/zinc/73/86/53/1130738653.db2.gz RHAVWSMCQWOVMJ-DLBZAZTESA-N 2 1 296.474 3.912 20 30 CHEDMP CCCCCCC[N@@H+](CC)CC1(C)CC[NH2+]CC1 ZINC001235664225 1130763625 /nfs/dbraw/zinc/76/36/25/1130763625.db2.gz ZWIXQBRDEUTEHC-UHFFFAOYSA-N 2 1 254.462 3.668 20 30 CHEDMP CCCCCCC[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC001235664206 1130764338 /nfs/dbraw/zinc/76/43/38/1130764338.db2.gz ZLZRODXNYMHUKA-UHFFFAOYSA-N 2 1 254.462 3.668 20 30 CHEDMP CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364202 1130920289 /nfs/dbraw/zinc/92/02/89/1130920289.db2.gz WRCXVQGJHVTACS-STQMWFEESA-N 2 1 280.378 3.558 20 30 CHEDMP CCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236364202 1130920293 /nfs/dbraw/zinc/92/02/93/1130920293.db2.gz WRCXVQGJHVTACS-STQMWFEESA-N 2 1 280.378 3.558 20 30 CHEDMP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC001236432603 1130940699 /nfs/dbraw/zinc/94/06/99/1130940699.db2.gz BEDKXDLYQRVZKL-UHFFFAOYSA-N 2 1 284.447 3.653 20 30 CHEDMP C=CC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001236434306 1130941181 /nfs/dbraw/zinc/94/11/81/1130941181.db2.gz QHQFKELDHWMZBW-UHFFFAOYSA-N 2 1 276.468 3.587 20 30 CHEDMP C=CCCCC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542342 1130969291 /nfs/dbraw/zinc/96/92/91/1130969291.db2.gz SUKLUAGMMNZRPP-QAQDUYKDSA-N 2 1 264.457 3.715 20 30 CHEDMP C#Cc1cccc(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236540991 1130969369 /nfs/dbraw/zinc/96/93/69/1130969369.db2.gz PRANOENMSJXRSE-MXVIHJGJSA-N 2 1 296.458 3.540 20 30 CHEDMP C=CCCCCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584514 1130981028 /nfs/dbraw/zinc/98/10/28/1130981028.db2.gz GIYDLZYHPAYISO-INIZCTEOSA-N 2 1 264.457 3.587 20 30 CHEDMP CC(C)(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769691 1131004206 /nfs/dbraw/zinc/00/42/06/1131004206.db2.gz ZMKFJVIEQXEPEJ-IYARVYRRSA-N 2 1 299.462 3.676 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236821659 1131013879 /nfs/dbraw/zinc/01/38/79/1131013879.db2.gz WBFRMSSGNGDCTF-ULQDDVLXSA-N 2 1 264.457 3.572 20 30 CHEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246232104 1131418130 /nfs/dbraw/zinc/41/81/30/1131418130.db2.gz QBXSBOFCILTPKF-HUUCEWRRSA-N 2 1 290.442 3.960 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246560217 1131622305 /nfs/dbraw/zinc/62/23/05/1131622305.db2.gz BQFMPHLGKQSIDP-XHSDSOJGSA-N 2 1 254.462 3.795 20 30 CHEDMP CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624715 1131722186 /nfs/dbraw/zinc/72/21/86/1131722186.db2.gz RPJNHZYHHBBUMJ-SJORKVTESA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246624715 1131722193 /nfs/dbraw/zinc/72/21/93/1131722193.db2.gz RPJNHZYHHBBUMJ-SJORKVTESA-N 2 1 266.473 3.953 20 30 CHEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246629606 1131735287 /nfs/dbraw/zinc/73/52/87/1131735287.db2.gz GPAVWMKBXXCXPG-MRXNPFEDSA-N 2 1 266.473 3.811 20 30 CHEDMP CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246794837 1131784400 /nfs/dbraw/zinc/78/44/00/1131784400.db2.gz HDLNOJKQZCWGMK-HZPDHXFCSA-N 2 1 254.462 3.796 20 30 CHEDMP CCCCCCC[C@H](C)[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246909711 1131809923 /nfs/dbraw/zinc/80/99/23/1131809923.db2.gz JXJPQFDVOQIRIA-JYJNAYRXSA-N 2 1 254.462 3.937 20 30 CHEDMP CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947364 1131827958 /nfs/dbraw/zinc/82/79/58/1131827958.db2.gz WXPWNODQDSFLAD-HZPDHXFCSA-N 2 1 272.452 3.888 20 30 CHEDMP C#CC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062249 1132125796 /nfs/dbraw/zinc/12/57/96/1132125796.db2.gz LGXCDMSVEFKLQH-REPLKXPHSA-N 2 1 296.458 3.574 20 30 CHEDMP C#CC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062249 1132125799 /nfs/dbraw/zinc/12/57/99/1132125799.db2.gz LGXCDMSVEFKLQH-REPLKXPHSA-N 2 1 296.458 3.574 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204763390 1133482211 /nfs/dbraw/zinc/48/22/11/1133482211.db2.gz IMSVYLRLJCMUNT-INIZCTEOSA-N 2 1 252.446 3.716 20 30 CHEDMP CCCCCCC/C=C/C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205733973 1133606851 /nfs/dbraw/zinc/60/68/51/1133606851.db2.gz AJEUGRZWAAQVOH-XVJNWHFHSA-N 2 1 288.426 3.819 20 30 CHEDMP CCCCCCC/C=C/C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205733973 1133606854 /nfs/dbraw/zinc/60/68/54/1133606854.db2.gz AJEUGRZWAAQVOH-XVJNWHFHSA-N 2 1 288.426 3.819 20 30 CHEDMP CCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904516 1133628669 /nfs/dbraw/zinc/62/86/69/1133628669.db2.gz VRYXSPWPPPXQDA-HZPDHXFCSA-N 2 1 254.462 3.796 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296395 1133684930 /nfs/dbraw/zinc/68/49/30/1133684930.db2.gz SFMRSDBHUOJOMS-KRWDZBQOSA-N 2 1 266.473 3.964 20 30 CHEDMP C=CCC[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208105617 1133877474 /nfs/dbraw/zinc/87/74/74/1133877474.db2.gz AEDPRSKEVGMCKP-UHFFFAOYSA-N 2 1 286.463 3.797 20 30 CHEDMP CCCCCCC/C=C/CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001208124422 1133881209 /nfs/dbraw/zinc/88/12/09/1133881209.db2.gz QRBYCTUQTMPEKA-BBVFFXRHSA-N 2 1 278.484 3.931 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001208124422 1133881229 /nfs/dbraw/zinc/88/12/29/1133881229.db2.gz QRBYCTUQTMPEKA-BBVFFXRHSA-N 2 1 278.484 3.931 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001208124422 1133881231 /nfs/dbraw/zinc/88/12/31/1133881231.db2.gz QRBYCTUQTMPEKA-BBVFFXRHSA-N 2 1 278.484 3.931 20 30 CHEDMP C=CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209163694 1133981947 /nfs/dbraw/zinc/98/19/47/1133981947.db2.gz HQCZHWQKZHCKID-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209163694 1133981953 /nfs/dbraw/zinc/98/19/53/1133981953.db2.gz HQCZHWQKZHCKID-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209163694 1133981958 /nfs/dbraw/zinc/98/19/58/1133981958.db2.gz HQCZHWQKZHCKID-FQEVSTJZSA-N 2 1 298.474 3.941 20 30 CHEDMP C=CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164329 1133982190 /nfs/dbraw/zinc/98/21/90/1133982190.db2.gz AWPRCYRMBUZWAF-WOJBJXKFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164329 1133982193 /nfs/dbraw/zinc/98/21/93/1133982193.db2.gz AWPRCYRMBUZWAF-WOJBJXKFSA-N 2 1 298.474 3.797 20 30 CHEDMP C=CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164329 1133982197 /nfs/dbraw/zinc/98/21/97/1133982197.db2.gz AWPRCYRMBUZWAF-WOJBJXKFSA-N 2 1 298.474 3.797 20 30 CHEDMP CCCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596645 1135253862 /nfs/dbraw/zinc/25/38/62/1135253862.db2.gz ZIDOCOKSWIBABD-SFHVURJKSA-N 2 1 286.463 3.646 20 30 CHEDMP C=CCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624363 1135256739 /nfs/dbraw/zinc/25/67/39/1135256739.db2.gz YYRXGIKLHAORPF-HDICACEKSA-N 2 1 278.484 3.835 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2sccc2C)CC1 ZINC000152988370 260676239 /nfs/dbraw/zinc/67/62/39/260676239.db2.gz XGEONAGXVMGHNT-AWEZNQCLSA-N 2 1 278.465 3.748 20 30 CHEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366659099 328252902 /nfs/dbraw/zinc/25/29/02/328252902.db2.gz AHVHZNPZHAIFDU-QGZVFWFLSA-N 2 1 291.483 3.703 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2CC)CC1 ZINC000430722986 328530401 /nfs/dbraw/zinc/53/04/01/328530401.db2.gz RHYZWZKCYUCZGW-JFIYKMOQSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC000152964599 327300963 /nfs/dbraw/zinc/30/09/63/327300963.db2.gz KEKSAHYEAKUFEX-SFHVURJKSA-N 2 1 272.436 3.768 20 30 CHEDMP C=C(C)C[NH+]1CCC(N[C@@H](CC)c2ccccc2F)CC1 ZINC000180490227 329220000 /nfs/dbraw/zinc/22/00/00/329220000.db2.gz SBFAZDCURVXYPQ-SFHVURJKSA-N 2 1 290.426 3.907 20 30 CHEDMP C=C(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423034599 330166506 /nfs/dbraw/zinc/16/65/06/330166506.db2.gz XPHHVPXLXZHIQG-WOJBJXKFSA-N 2 1 292.426 3.783 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453309040 331114347 /nfs/dbraw/zinc/11/43/47/331114347.db2.gz ORJPKQFQKIPWLT-FUHWJXTLSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453309040 331114348 /nfs/dbraw/zinc/11/43/48/331114348.db2.gz ORJPKQFQKIPWLT-FUHWJXTLSA-N 2 1 286.463 3.699 20 30 CHEDMP C=CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000488467081 332012029 /nfs/dbraw/zinc/01/20/29/332012029.db2.gz QOSQBMLUCWKLLZ-CVEARBPZSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000488467081 332012030 /nfs/dbraw/zinc/01/20/30/332012030.db2.gz QOSQBMLUCWKLLZ-CVEARBPZSA-N 2 1 252.446 3.537 20 30 CHEDMP C=CCCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000488467081 332012032 /nfs/dbraw/zinc/01/20/32/332012032.db2.gz QOSQBMLUCWKLLZ-CVEARBPZSA-N 2 1 252.446 3.537 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000569241663 334863223 /nfs/dbraw/zinc/86/32/23/334863223.db2.gz DXKZOSHASAXAHZ-UHFFFAOYSA-N 2 1 276.468 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C[C@H]2CC)CC1 ZINC000538760486 333626250 /nfs/dbraw/zinc/62/62/50/333626250.db2.gz PGAQMMCKPMDYCX-LZLYRXPVSA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131297486 333922017 /nfs/dbraw/zinc/92/20/17/333922017.db2.gz OVQWYPNYDDFUJY-ICSRJNTNSA-N 2 1 298.474 3.953 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174893 334240033 /nfs/dbraw/zinc/24/00/33/334240033.db2.gz HPMCYYFRWSKRNQ-ZWKOTPCHSA-N 2 1 272.436 3.768 20 30 CHEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174893 334240034 /nfs/dbraw/zinc/24/00/34/334240034.db2.gz HPMCYYFRWSKRNQ-ZWKOTPCHSA-N 2 1 272.436 3.768 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000152970872 334532855 /nfs/dbraw/zinc/53/28/55/334532855.db2.gz GCBGDTDRMNKNEO-QGZVFWFLSA-N 2 1 286.463 3.995 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000153046266 1126757426 /nfs/dbraw/zinc/75/74/26/1126757426.db2.gz DNBBGYFWGZMTAV-INIZCTEOSA-N 2 1 272.436 3.686 20 30 CHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181511516 1126856916 /nfs/dbraw/zinc/85/69/16/1126856916.db2.gz SOUAXIIHEQHHFR-IRXDYDNUSA-N 2 1 299.462 3.721 20 30 CHEDMP C=CCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485491155 1126919081 /nfs/dbraw/zinc/91/90/81/1126919081.db2.gz MNJGMTSPHOXRKW-UHFFFAOYSA-N 2 1 298.474 3.941 20 30 CHEDMP CCCCCCC[N@H+](CC)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235662358 1130762378 /nfs/dbraw/zinc/76/23/78/1130762378.db2.gz SCKYMBDSCKNDHP-HUUCEWRRSA-N 2 1 290.442 3.770 20 30 CHEDMP CCCCCCC[N@@H+](CC)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235662358 1130762383 /nfs/dbraw/zinc/76/23/83/1130762383.db2.gz SCKYMBDSCKNDHP-HUUCEWRRSA-N 2 1 290.442 3.770 20 30 CHEDMP C=CCCCCCCC[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235937728 1130811065 /nfs/dbraw/zinc/81/10/65/1130811065.db2.gz PXBNTCXHLKMGDN-UHFFFAOYSA-N 2 1 296.499 3.604 20 30 CHEDMP C=C1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925835114 1128143462 /nfs/dbraw/zinc/14/34/62/1128143462.db2.gz MMOWGMGTIMYUKU-MOPGFXCFSA-N 2 1 284.447 3.816 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131297252 1128613135 /nfs/dbraw/zinc/61/31/35/1128613135.db2.gz OVQWYPNYDDFUJY-AZUAARDMSA-N 2 1 298.474 3.953 20 30 CHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258049447 1128688420 /nfs/dbraw/zinc/68/84/20/1128688420.db2.gz HYLMCGDSZMMMQS-SJORKVTESA-N 2 1 266.473 3.763 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562641 1117872474 /nfs/dbraw/zinc/87/24/74/1117872474.db2.gz YGAIGXJPQZQVSA-PMPSAXMXSA-N 2 1 264.457 3.584 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000624123434 1117986771 /nfs/dbraw/zinc/98/67/71/1117986771.db2.gz LUKDRFCSYKMBEW-HZPDHXFCSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000624123434 1117986774 /nfs/dbraw/zinc/98/67/74/1117986774.db2.gz LUKDRFCSYKMBEW-HZPDHXFCSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000471584529 1118466850 /nfs/dbraw/zinc/46/68/50/1118466850.db2.gz HKJIZGRHUDLTHJ-HSALFYBXSA-N 2 1 298.474 3.843 20 30 CHEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000091582766 1119300530 /nfs/dbraw/zinc/30/05/30/1119300530.db2.gz PUXDXDSRCAILPO-IAGOWNOFSA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000584067746 1119470423 /nfs/dbraw/zinc/47/04/23/1119470423.db2.gz GAMHHFOJCBWMQP-UHFFFAOYSA-N 2 1 286.463 3.985 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628212111 1119558664 /nfs/dbraw/zinc/55/86/64/1119558664.db2.gz KGDVHRJFMYLOAR-QGZVFWFLSA-N 2 1 286.463 3.729 20 30 CHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000658029812 1119666835 /nfs/dbraw/zinc/66/68/35/1119666835.db2.gz AXKSAZRBAOJYQJ-NVXWUHKLSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000658029817 1119666879 /nfs/dbraw/zinc/66/68/79/1119666879.db2.gz AXKSAZRBAOJYQJ-WBVHZDCISA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658115360 1119684760 /nfs/dbraw/zinc/68/47/60/1119684760.db2.gz UWSFTKHQCYLGRV-UHFFFAOYSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCCCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472576937 1119968683 /nfs/dbraw/zinc/96/86/83/1119968683.db2.gz BFZFMAQOOHIBKI-INIZCTEOSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472576937 1119968686 /nfs/dbraw/zinc/96/86/86/1119968686.db2.gz BFZFMAQOOHIBKI-INIZCTEOSA-N 2 1 252.446 3.539 20 30 CHEDMP C=CCCCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472576937 1119968690 /nfs/dbraw/zinc/96/86/90/1119968690.db2.gz BFZFMAQOOHIBKI-INIZCTEOSA-N 2 1 252.446 3.539 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(C)ccc32)CC1 ZINC000765836977 1120117558 /nfs/dbraw/zinc/11/75/58/1120117558.db2.gz RLBHKFUNRCJHCD-LJQANCHMSA-N 2 1 284.447 3.612 20 30 CHEDMP CCC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166040 /nfs/dbraw/zinc/16/60/40/1120166040.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 2 1 299.462 3.645 20 30 CHEDMP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543462081 1120528243 /nfs/dbraw/zinc/52/82/43/1120528243.db2.gz WJHPDZCPBQNOAT-YESZJQIVSA-N 2 1 278.484 3.974 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759975064 1121180316 /nfs/dbraw/zinc/18/03/16/1121180316.db2.gz FZEHSQCCBZFIBH-INIZCTEOSA-N 2 1 254.462 3.763 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512661421 1121517080 /nfs/dbraw/zinc/51/70/80/1121517080.db2.gz SCWCSYFAGCYADZ-MTFMMBMASA-N 2 1 298.474 3.841 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)C[C@@H](C)CC)CC1 ZINC000153016726 1129016472 /nfs/dbraw/zinc/01/64/72/1129016472.db2.gz JZQZCNNWUKJBBG-JKSUJKDBSA-N 2 1 266.473 3.831 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542064 1122189982 /nfs/dbraw/zinc/18/99/82/1122189982.db2.gz QLLIKGJWCNJDOU-QGZVFWFLSA-N 2 1 266.473 3.964 20 30 CHEDMP C=CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000514805013 1122454254 /nfs/dbraw/zinc/45/42/54/1122454254.db2.gz ITTRZIJDBMBAEC-JYJNAYRXSA-N 2 1 276.424 3.749 20 30 CHEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541998 1122546396 /nfs/dbraw/zinc/54/63/96/1122546396.db2.gz XMCOUYDJSWRIFO-HNNXBMFYSA-N 2 1 296.418 3.536 20 30 CHEDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541998 1122546399 /nfs/dbraw/zinc/54/63/99/1122546399.db2.gz XMCOUYDJSWRIFO-HNNXBMFYSA-N 2 1 296.418 3.536 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904749 1123069565 /nfs/dbraw/zinc/06/95/65/1123069565.db2.gz XELFPXIVIQARCN-HZPDHXFCSA-N 2 1 252.446 3.572 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246037217 1131279655 /nfs/dbraw/zinc/27/96/55/1131279655.db2.gz UFYXZPXMLRPGIK-ZWKOTPCHSA-N 2 1 298.515 3.562 20 30 CHEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246037217 1131279660 /nfs/dbraw/zinc/27/96/60/1131279660.db2.gz UFYXZPXMLRPGIK-ZWKOTPCHSA-N 2 1 298.515 3.562 20 30 CHEDMP CCCCCCC[C@H](C)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113980 1131335348 /nfs/dbraw/zinc/33/53/48/1131335348.db2.gz OSCJVLRTCFUYKV-JKSUJKDBSA-N 2 1 272.452 3.807 20 30 CHEDMP C=CC[C@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574329 1125163244 /nfs/dbraw/zinc/16/32/44/1125163244.db2.gz QBNNWXZQFNULNS-HOCLYGCPSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574329 1125163246 /nfs/dbraw/zinc/16/32/46/1125163246.db2.gz QBNNWXZQFNULNS-HOCLYGCPSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000878574329 1125163249 /nfs/dbraw/zinc/16/32/49/1125163249.db2.gz QBNNWXZQFNULNS-HOCLYGCPSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000878574329 1125163255 /nfs/dbraw/zinc/16/32/55/1125163255.db2.gz QBNNWXZQFNULNS-HOCLYGCPSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000878574329 1125163263 /nfs/dbraw/zinc/16/32/63/1125163263.db2.gz QBNNWXZQFNULNS-HOCLYGCPSA-N 2 1 292.492 3.775 20 30 CHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883227471 1125380643 /nfs/dbraw/zinc/38/06/43/1125380643.db2.gz RHJRKJMNINRNKJ-XUBOLADHSA-N 2 1 298.474 3.779 20 30 CHEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638750460 1129267973 /nfs/dbraw/zinc/26/79/73/1129267973.db2.gz ULOPABPTQPXRSV-ZVZYQTTQSA-N 2 1 270.420 3.519 20 30 CHEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638750460 1129267975 /nfs/dbraw/zinc/26/79/75/1129267975.db2.gz ULOPABPTQPXRSV-ZVZYQTTQSA-N 2 1 270.420 3.519 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214669 1129557197 /nfs/dbraw/zinc/55/71/97/1129557197.db2.gz LDXRMPGSXAZKOJ-GOSISDBHSA-N 2 1 284.447 3.739 20 30 CHEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647214669 1129557198 /nfs/dbraw/zinc/55/71/98/1129557198.db2.gz LDXRMPGSXAZKOJ-GOSISDBHSA-N 2 1 284.447 3.739 20 30 CHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000380841562 1129833142 /nfs/dbraw/zinc/83/31/42/1129833142.db2.gz OUIUUSSJHNSUTG-QGZVFWFLSA-N 2 1 290.476 3.524 20 30 CHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000380841562 1129833145 /nfs/dbraw/zinc/83/31/45/1129833145.db2.gz OUIUUSSJHNSUTG-QGZVFWFLSA-N 2 1 290.476 3.524 20 30 CHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903195978 1130127806 /nfs/dbraw/zinc/12/78/06/1130127806.db2.gz DSJXDOBWUKHKGF-DBKFYXDTSA-N 2 1 288.479 3.869 20 30 CHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(C=C2CC[NH2+]CC2)cc1 ZINC001240879634 1130500278 /nfs/dbraw/zinc/50/02/78/1130500278.db2.gz VKRJUGMGDBQTKV-LJQANCHMSA-N 2 1 282.431 3.776 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)CC1 ZINC001235041302 1130704428 /nfs/dbraw/zinc/70/44/28/1130704428.db2.gz PCJQTTUDSGQXHL-MOPGFXCFSA-N 2 1 288.479 3.897 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)CC1 ZINC001235041302 1130704432 /nfs/dbraw/zinc/70/44/32/1130704432.db2.gz PCJQTTUDSGQXHL-MOPGFXCFSA-N 2 1 288.479 3.897 20 30 CHEDMP CCCCCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191663 1130723040 /nfs/dbraw/zinc/72/30/40/1130723040.db2.gz UXKWEVVUELGWHZ-UHFFFAOYSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191663 1130723044 /nfs/dbraw/zinc/72/30/44/1130723044.db2.gz UXKWEVVUELGWHZ-UHFFFAOYSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235261094 1130729380 /nfs/dbraw/zinc/72/93/80/1130729380.db2.gz OVPXTOHNIMUPQV-SJORKVTESA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235257905 1130730076 /nfs/dbraw/zinc/73/00/76/1130730076.db2.gz JSRCTQZUXNBOIS-IRXDYDNUSA-N 2 1 266.473 3.811 20 30 CHEDMP CCCCCCCC[N@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001235662911 1130762061 /nfs/dbraw/zinc/76/20/61/1130762061.db2.gz DSANDAIHFBOOFO-UHFFFAOYSA-N 2 1 295.496 3.581 20 30 CHEDMP CCCCCCCC[N@@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001235662911 1130762067 /nfs/dbraw/zinc/76/20/67/1130762067.db2.gz DSANDAIHFBOOFO-UHFFFAOYSA-N 2 1 295.496 3.581 20 30 CHEDMP C=CCC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235702505 1130772097 /nfs/dbraw/zinc/77/20/97/1130772097.db2.gz KZBKJGFOBNEPFS-GOSISDBHSA-N 2 1 272.436 3.597 20 30 CHEDMP C=CCCCCCC[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001236213373 1130891722 /nfs/dbraw/zinc/89/17/22/1130891722.db2.gz QQEXKWPYMZBTMH-UHFFFAOYSA-N 2 1 252.446 3.585 20 30 CHEDMP C=CCCCC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270087 1130909454 /nfs/dbraw/zinc/90/94/54/1130909454.db2.gz PVJYMNOIUSYSLL-SFHVURJKSA-N 2 1 272.436 3.597 20 30 CHEDMP C=CCCCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270087 1130909457 /nfs/dbraw/zinc/90/94/57/1130909457.db2.gz PVJYMNOIUSYSLL-SFHVURJKSA-N 2 1 272.436 3.597 20 30 CHEDMP CCCCCCCCC[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236407145 1130931117 /nfs/dbraw/zinc/93/11/17/1130931117.db2.gz BZLHGXHVPSOLNL-MRXNPFEDSA-N 2 1 254.462 3.668 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236604842 1130983171 /nfs/dbraw/zinc/98/31/71/1130983171.db2.gz PQFYVNKEGKBYES-QGZVFWFLSA-N 2 1 266.473 3.964 20 30 CHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)CC1 ZINC001236633340 1130987770 /nfs/dbraw/zinc/98/77/70/1130987770.db2.gz GDQSHVGNDFKLEG-QGZVFWFLSA-N 2 1 288.479 3.896 20 30 CHEDMP C#CCCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755848 1131004541 /nfs/dbraw/zinc/00/45/41/1131004541.db2.gz RFGWYWGAYGJRIW-IYARVYRRSA-N 2 1 276.468 3.552 20 30 CHEDMP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938335 1131609766 /nfs/dbraw/zinc/60/97/66/1131609766.db2.gz GPVHSCHGCWDHJG-NBYUQASBSA-N 2 1 298.474 3.666 20 30 CHEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246613175 1131718367 /nfs/dbraw/zinc/71/83/67/1131718367.db2.gz XDROTMYIEFRWAU-IAGOWNOFSA-N 2 1 264.457 3.587 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246692380 1131782385 /nfs/dbraw/zinc/78/23/85/1131782385.db2.gz NSDPTDGJNRWNFS-ARFHVFGLSA-N 2 1 284.463 3.744 20 30 CHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC001171339450 1131874031 /nfs/dbraw/zinc/87/40/31/1131874031.db2.gz MDPAJMUPZGRABO-MOPGFXCFSA-N 2 1 299.462 3.564 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486562 1132231215 /nfs/dbraw/zinc/23/12/15/1132231215.db2.gz GFHGXPGLIMMDGJ-BZUAXINKSA-N 2 1 279.472 3.687 20 30 CHEDMP C=CCCCCCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206540847 1133715218 /nfs/dbraw/zinc/71/52/18/1133715218.db2.gz DIQRBMIQNYCSCV-INIZCTEOSA-N 2 1 252.446 3.574 20 30 CHEDMP CCCCCCC/C=C/C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001208124699 1133881661 /nfs/dbraw/zinc/88/16/61/1133881661.db2.gz YMEWPDVKJHGSIO-QTYXSNHHSA-N 2 1 278.484 3.787 20 30 CHEDMP C[N@H+]1CCC[C@H](CN(CCC#N)C2CCCCCCC2)C1 ZINC001208609953 1133918430 /nfs/dbraw/zinc/91/84/30/1133918430.db2.gz XPQQZKNHTZVUSV-KRWDZBQOSA-N 2 1 291.483 3.657 20 30 CHEDMP C[N@H+]1CCC[C@@H](CN(CCC#N)C2CCCCCCC2)C1 ZINC001208609963 1133919011 /nfs/dbraw/zinc/91/90/11/1133919011.db2.gz XPQQZKNHTZVUSV-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C=CCCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209440823 1134020036 /nfs/dbraw/zinc/02/00/36/1134020036.db2.gz DVHYBFODRMJDDW-QGZVFWFLSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209440823 1134020041 /nfs/dbraw/zinc/02/00/41/1134020041.db2.gz DVHYBFODRMJDDW-QGZVFWFLSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209440823 1134020046 /nfs/dbraw/zinc/02/00/46/1134020046.db2.gz DVHYBFODRMJDDW-QGZVFWFLSA-N 2 1 264.457 3.541 20 30 CHEDMP C=CCCCCCCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC001209439273 1134020584 /nfs/dbraw/zinc/02/05/84/1134020584.db2.gz LUESVEGHLFPWCG-KRWDZBQOSA-N 2 1 264.457 3.683 20 30 CHEDMP CCCCCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465610 1135244402 /nfs/dbraw/zinc/24/44/02/1135244402.db2.gz VXCWAUCYNMAQIG-QGZVFWFLSA-N 2 1 266.473 3.955 20 30 CHEDMP CCCCCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465610 1135244404 /nfs/dbraw/zinc/24/44/04/1135244404.db2.gz VXCWAUCYNMAQIG-QGZVFWFLSA-N 2 1 266.473 3.955 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827826 262398131 /nfs/dbraw/zinc/39/81/31/262398131.db2.gz KCGGQIPQQILJJY-HOTGVXAUSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827826 262398132 /nfs/dbraw/zinc/39/81/32/262398132.db2.gz KCGGQIPQQILJJY-HOTGVXAUSA-N 2 1 279.472 3.511 20 30 CHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827826 262398133 /nfs/dbraw/zinc/39/81/33/262398133.db2.gz KCGGQIPQQILJJY-HOTGVXAUSA-N 2 1 279.472 3.511 20 30 CHEDMP N#CCCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450571 263155058 /nfs/dbraw/zinc/15/50/58/263155058.db2.gz NNOGPOFNBACNFW-FHWLQOOXSA-N 2 1 297.446 3.638 20 30 CHEDMP Cc1ccc(CCCN(CCC#N)CCC(C)C)cn1 ZINC000353630030 263279571 /nfs/dbraw/zinc/27/95/71/263279571.db2.gz WZHISRKEFAMOTP-UHFFFAOYSA-N 2 1 273.424 3.584 20 30 CHEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178708029 329202608 /nfs/dbraw/zinc/20/26/08/329202608.db2.gz KOPSTGFZYZUJFW-GDBMZVCRSA-N 2 1 263.429 3.552 20 30 CHEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422999408 330163673 /nfs/dbraw/zinc/16/36/73/330163673.db2.gz SMUUKLCHBJFTKD-NEWSRXKRSA-N 2 1 299.462 3.932 20 30 CHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424318056 330339795 /nfs/dbraw/zinc/33/97/95/330339795.db2.gz CKSVZSHBXAASSM-UKPHBRMFSA-N 2 1 294.402 3.524 20 30 CHEDMP C=C(CC)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000536893248 330362380 /nfs/dbraw/zinc/36/23/80/330362380.db2.gz LIOHQWKUKWIUHA-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000536893248 330362381 /nfs/dbraw/zinc/36/23/81/330362381.db2.gz LIOHQWKUKWIUHA-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=C(CC)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000536893248 330362382 /nfs/dbraw/zinc/36/23/82/330362382.db2.gz LIOHQWKUKWIUHA-SJORKVTESA-N 2 1 264.457 3.539 20 30 CHEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000119785260 330379865 /nfs/dbraw/zinc/37/98/65/330379865.db2.gz LEXARRKOWYONSK-HXUWFJFHSA-N 2 1 298.474 3.985 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463246463 331344033 /nfs/dbraw/zinc/34/40/33/331344033.db2.gz CVJHTJMUTDONOL-WDSOQIARSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463246463 331344034 /nfs/dbraw/zinc/34/40/34/331344034.db2.gz CVJHTJMUTDONOL-WDSOQIARSA-N 2 1 286.463 3.984 20 30 CHEDMP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549338 333252929 /nfs/dbraw/zinc/25/29/29/333252929.db2.gz QZZHWEWDMIJGNB-DLBZAZTESA-N 2 1 278.484 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2CC)CC1 ZINC000430722989 1118764914 /nfs/dbraw/zinc/76/49/14/1118764914.db2.gz RHYZWZKCYUCZGW-XYJFISCASA-N 2 1 278.484 3.831 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2CC)CC1 ZINC000430722987 1118765318 /nfs/dbraw/zinc/76/53/18/1118765318.db2.gz RHYZWZKCYUCZGW-LZLYRXPVSA-N 2 1 278.484 3.831 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246560192 1131621997 /nfs/dbraw/zinc/62/19/97/1131621997.db2.gz BQFMPHLGKQSIDP-ARFHVFGLSA-N 2 1 254.462 3.795 20 30 CHEDMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000338236973 1126726308 /nfs/dbraw/zinc/72/63/08/1126726308.db2.gz QCKHGMYBDSLPSB-INIZCTEOSA-N 2 1 287.451 3.673 20 30 CHEDMP C=CC[NH+]1CCC([NH2+]CC[C@H](C)CCC=C(C)C)CC1 ZINC000482254726 1126748222 /nfs/dbraw/zinc/74/82/22/1126748222.db2.gz IXZUIHNOKRVZJD-QGZVFWFLSA-N 2 1 278.484 3.999 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000793521612 1130562375 /nfs/dbraw/zinc/56/23/75/1130562375.db2.gz CXBACIPXIXNEMH-GVDBMIGSSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000793521612 1130562380 /nfs/dbraw/zinc/56/23/80/1130562380.db2.gz CXBACIPXIXNEMH-GVDBMIGSSA-N 2 1 264.457 3.728 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193511 1130723346 /nfs/dbraw/zinc/72/33/46/1130723346.db2.gz OBPQXLRCMYMLCS-QZTJIDSGSA-N 2 1 278.484 3.835 20 30 CHEDMP C=C(C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000351758857 1127207978 /nfs/dbraw/zinc/20/79/78/1127207978.db2.gz KGQORDNHPQQHOB-AWEZNQCLSA-N 2 1 269.392 3.798 20 30 CHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602553879 1127592418 /nfs/dbraw/zinc/59/24/18/1127592418.db2.gz XNADGYBTCAQNPL-DLBZAZTESA-N 2 1 299.462 3.741 20 30 CHEDMP N#CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602542403 1127589947 /nfs/dbraw/zinc/58/99/47/1127589947.db2.gz WZTRMPWJXPIFQL-HKUYNNGSSA-N 2 1 297.446 3.638 20 30 CHEDMP N#CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602542403 1127589949 /nfs/dbraw/zinc/58/99/49/1127589949.db2.gz WZTRMPWJXPIFQL-HKUYNNGSSA-N 2 1 297.446 3.638 20 30 CHEDMP CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccc(C#N)cc1 ZINC000593717126 1127664960 /nfs/dbraw/zinc/66/49/60/1127664960.db2.gz YAEGAOBKDBXIDF-SFHVURJKSA-N 2 1 287.451 3.577 20 30 CHEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000409446733 1127768309 /nfs/dbraw/zinc/76/83/09/1127768309.db2.gz POTQSKYZACELRR-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(C)(C)C#N)C1 ZINC000409446733 1127768312 /nfs/dbraw/zinc/76/83/12/1127768312.db2.gz POTQSKYZACELRR-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000409446733 1127768315 /nfs/dbraw/zinc/76/83/15/1127768315.db2.gz POTQSKYZACELRR-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000409446733 1127768319 /nfs/dbraw/zinc/76/83/19/1127768319.db2.gz POTQSKYZACELRR-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP CN(CC[C@H]1CCCC[N@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291054 1127851684 /nfs/dbraw/zinc/85/16/84/1127851684.db2.gz IKJPYAQJNKAREF-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCC1(C#N)CCCCC1 ZINC000411291054 1127851689 /nfs/dbraw/zinc/85/16/89/1127851689.db2.gz IKJPYAQJNKAREF-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCC1(C#N)CCCCC1 ZINC000411291054 1127851695 /nfs/dbraw/zinc/85/16/95/1127851695.db2.gz IKJPYAQJNKAREF-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291054 1127851699 /nfs/dbraw/zinc/85/16/99/1127851699.db2.gz IKJPYAQJNKAREF-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291054 1127851705 /nfs/dbraw/zinc/85/17/05/1127851705.db2.gz IKJPYAQJNKAREF-QGZVFWFLSA-N 2 1 291.483 3.657 20 30 CHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930001335 1128297555 /nfs/dbraw/zinc/29/75/55/1128297555.db2.gz UVSOAEOMNCKMSD-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930001335 1128297557 /nfs/dbraw/zinc/29/75/57/1128297557.db2.gz UVSOAEOMNCKMSD-IRXDYDNUSA-N 2 1 291.483 3.513 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000624123432 1117986894 /nfs/dbraw/zinc/98/68/94/1117986894.db2.gz LUKDRFCSYKMBEW-CVEARBPZSA-N 2 1 276.424 3.608 20 30 CHEDMP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000624123432 1117986897 /nfs/dbraw/zinc/98/68/97/1117986897.db2.gz LUKDRFCSYKMBEW-CVEARBPZSA-N 2 1 276.424 3.608 20 30 CHEDMP CCCCCCCCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209011 1118157399 /nfs/dbraw/zinc/15/73/99/1118157399.db2.gz HKLJRRSBUMZZIF-GOSISDBHSA-N 2 1 298.515 3.693 20 30 CHEDMP C=CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000338566433 1118218969 /nfs/dbraw/zinc/21/89/69/1118218969.db2.gz IJHZSTGGJNZYLK-UHFFFAOYSA-N 2 1 284.447 3.551 20 30 CHEDMP C=CCC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000245907040 1119387036 /nfs/dbraw/zinc/38/70/36/1119387036.db2.gz CMBLAMXNRPRLOW-SJLPKXTDSA-N 2 1 278.484 3.975 20 30 CHEDMP CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250830956 1119502147 /nfs/dbraw/zinc/50/21/47/1119502147.db2.gz RCGZYVRFJIZZKB-IRXDYDNUSA-N 2 1 266.473 3.811 20 30 CHEDMP CCCCCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001201826036 1123153238 /nfs/dbraw/zinc/15/32/38/1123153238.db2.gz LEQSCESQKDJCBF-UHFFFAOYSA-N 2 1 254.462 3.621 20 30 CHEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011313 1123270662 /nfs/dbraw/zinc/27/06/62/1123270662.db2.gz NOHWOBJWQJTSPI-ALXJQNPVSA-N 2 1 272.436 3.594 20 30 CHEDMP C=CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015545 1123379346 /nfs/dbraw/zinc/37/93/46/1123379346.db2.gz RKLVNJLFKVMDQD-ALXJQNPVSA-N 2 1 272.436 3.594 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453302758 1123570816 /nfs/dbraw/zinc/57/08/16/1123570816.db2.gz AVGVFZMRAXAJIB-IRXDYDNUSA-N 2 1 272.436 3.624 20 30 CHEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453302758 1123570818 /nfs/dbraw/zinc/57/08/18/1123570818.db2.gz AVGVFZMRAXAJIB-IRXDYDNUSA-N 2 1 272.436 3.624 20 30 CHEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000449130233 1124652815 /nfs/dbraw/zinc/65/28/15/1124652815.db2.gz GBMHKXKPDSUAAJ-IRXDYDNUSA-N 2 1 266.473 3.831 20 30 CHEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449133122 1124654552 /nfs/dbraw/zinc/65/45/52/1124654552.db2.gz XBTFJDQGJAVALM-LXPRWKDFSA-N 2 1 291.483 3.703 20 30 CHEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449133122 1124654553 /nfs/dbraw/zinc/65/45/53/1124654553.db2.gz XBTFJDQGJAVALM-LXPRWKDFSA-N 2 1 291.483 3.703 20 30 CHEDMP C=CCCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000880389172 1125270988 /nfs/dbraw/zinc/27/09/88/1125270988.db2.gz DLMWDJYJWLTESA-GOSISDBHSA-N 2 1 283.419 3.650 20 30 CHEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343810 1129571830 /nfs/dbraw/zinc/57/18/30/1129571830.db2.gz CNELVDGTJULOPW-RWQQGDIJSA-N 2 1 286.463 3.522 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258723558 1129580410 /nfs/dbraw/zinc/58/04/10/1129580410.db2.gz YCHAJJOQJGIUTO-RDJZCZTQSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258723558 1129580413 /nfs/dbraw/zinc/58/04/13/1129580413.db2.gz YCHAJJOQJGIUTO-RDJZCZTQSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccs1 ZINC000647872818 1129586396 /nfs/dbraw/zinc/58/63/96/1129586396.db2.gz XUKRLJRCFZRBNF-UHFFFAOYSA-N 2 1 278.465 3.516 20 30 CHEDMP C=CCC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccco1 ZINC000650754203 1129722252 /nfs/dbraw/zinc/72/22/52/1129722252.db2.gz CXDDWJZASNIWGH-INIZCTEOSA-N 2 1 288.366 3.675 20 30 CHEDMP CCCCCCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005820 1129857281 /nfs/dbraw/zinc/85/72/81/1129857281.db2.gz MFPYAMCBSLCKQA-CYBMUJFWSA-N 2 1 294.443 3.548 20 30 CHEDMP CCCCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000746670441 1129978928 /nfs/dbraw/zinc/97/89/28/1129978928.db2.gz ZYIYGKJXBHXKMW-QGZVFWFLSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746670441 1129978930 /nfs/dbraw/zinc/97/89/30/1129978930.db2.gz ZYIYGKJXBHXKMW-QGZVFWFLSA-N 2 1 266.473 3.621 20 30 CHEDMP CCCCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000746670441 1129978932 /nfs/dbraw/zinc/97/89/32/1129978932.db2.gz ZYIYGKJXBHXKMW-QGZVFWFLSA-N 2 1 266.473 3.621 20 30 CHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239808586 1130117129 /nfs/dbraw/zinc/11/71/29/1130117129.db2.gz FOGHONQJXIPIPM-LJQANCHMSA-N 2 1 293.414 3.530 20 30 CHEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903195979 1130127957 /nfs/dbraw/zinc/12/79/57/1130127957.db2.gz DSJXDOBWUKHKGF-HUUCDWIBSA-N 2 1 288.479 3.869 20 30 CHEDMP C=CCCCCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093019 1130710309 /nfs/dbraw/zinc/71/03/09/1130710309.db2.gz NSCRXNRPKJTCRU-UHFFFAOYSA-N 2 1 278.484 3.979 20 30 CHEDMP C=CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235255189 1130729945 /nfs/dbraw/zinc/72/99/45/1130729945.db2.gz LPXOBLNEVTZXLV-MSOLQXFVSA-N 2 1 278.484 3.977 20 30 CHEDMP CCCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235257907 1130730092 /nfs/dbraw/zinc/73/00/92/1130730092.db2.gz JSRCTQZUXNBOIS-SJORKVTESA-N 2 1 266.473 3.811 20 30 CHEDMP C=CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365723 1130737185 /nfs/dbraw/zinc/73/71/85/1130737185.db2.gz PCTLJKYBYUYGKT-VQTJNVASSA-N 2 1 298.474 3.596 20 30 CHEDMP CCCCCCCCC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235393457 1130738868 /nfs/dbraw/zinc/73/88/68/1130738868.db2.gz AHEKSLZCTYKROB-CVEARBPZSA-N 2 1 284.463 3.746 20 30 CHEDMP N#CCC[N@H+](CCCCCC[NH3+])C1CCCCCCC1 ZINC001235663909 1130763089 /nfs/dbraw/zinc/76/30/89/1130763089.db2.gz NUIFDOPERIJUIE-UHFFFAOYSA-N 2 1 279.472 3.834 20 30 CHEDMP C=CCCCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235673542 1130764200 /nfs/dbraw/zinc/76/42/00/1130764200.db2.gz NLPMZRHBDUUDAA-KRWDZBQOSA-N 2 1 266.473 3.964 20 30 CHEDMP C=CCCCCC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552510 1130974562 /nfs/dbraw/zinc/97/45/62/1130974562.db2.gz WMERHBARNGQJCD-QAQDUYKDSA-N 2 1 266.473 3.961 20 30 CHEDMP C=CCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741330 1131003334 /nfs/dbraw/zinc/00/33/34/1131003334.db2.gz FNMJMFNKXUYPBR-IYARVYRRSA-N 2 1 290.426 3.864 20 30 CHEDMP C#Cc1cccc(C[N@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236790956 1131007121 /nfs/dbraw/zinc/00/71/21/1131007121.db2.gz NLEGSWVUIVJIIG-KESTWPANSA-N 2 1 298.474 3.928 20 30 CHEDMP CCCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846227468 1131701977 /nfs/dbraw/zinc/70/19/77/1131701977.db2.gz RRTQREVVJLLCNO-RCCFBDPRSA-N 2 1 296.499 3.708 20 30 CHEDMP CCCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246646837 1131774629 /nfs/dbraw/zinc/77/46/29/1131774629.db2.gz XPXCSRNGMWADNI-YESZJQIVSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246646837 1131774633 /nfs/dbraw/zinc/77/46/33/1131774633.db2.gz XPXCSRNGMWADNI-YESZJQIVSA-N 2 1 266.473 3.952 20 30 CHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246694455 1131780917 /nfs/dbraw/zinc/78/09/17/1131780917.db2.gz RIXYBKSWYIPOAU-YESZJQIVSA-N 2 1 284.463 3.759 20 30 CHEDMP C#C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001171571765 1132059024 /nfs/dbraw/zinc/05/90/24/1132059024.db2.gz BDBZQZQKEPYBMH-GOSISDBHSA-N 2 1 296.458 3.518 20 30 CHEDMP C=CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122448 1132135806 /nfs/dbraw/zinc/13/58/06/1132135806.db2.gz BDJYPWGNJAUSGP-PIIMJCKOSA-N 2 1 276.468 3.822 20 30 CHEDMP C=CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122448 1132135809 /nfs/dbraw/zinc/13/58/09/1132135809.db2.gz BDJYPWGNJAUSGP-PIIMJCKOSA-N 2 1 276.468 3.822 20 30 CHEDMP C=CC[N@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122448 1132135811 /nfs/dbraw/zinc/13/58/11/1132135811.db2.gz BDJYPWGNJAUSGP-PIIMJCKOSA-N 2 1 276.468 3.822 20 30 CHEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122448 1132135814 /nfs/dbraw/zinc/13/58/14/1132135814.db2.gz BDJYPWGNJAUSGP-PIIMJCKOSA-N 2 1 276.468 3.822 20 30 CHEDMP CCCCCCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121934 1132135918 /nfs/dbraw/zinc/13/59/18/1132135918.db2.gz NKYWTDMRWQQZAW-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121934 1132135922 /nfs/dbraw/zinc/13/59/22/1132135922.db2.gz NKYWTDMRWQQZAW-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121934 1132135925 /nfs/dbraw/zinc/13/59/25/1132135925.db2.gz NKYWTDMRWQQZAW-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121934 1132135930 /nfs/dbraw/zinc/13/59/30/1132135930.db2.gz NKYWTDMRWQQZAW-BJWYYQGGSA-N 2 1 266.473 3.904 20 30 CHEDMP CCCCCCC[C@H](CC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172356179 1132185529 /nfs/dbraw/zinc/18/55/29/1132185529.db2.gz UWOCYMSFOVCRRH-INIZCTEOSA-N 2 1 277.456 3.880 20 30 CHEDMP CCCCCCC[C@H](CC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172356179 1132185531 /nfs/dbraw/zinc/18/55/31/1132185531.db2.gz UWOCYMSFOVCRRH-INIZCTEOSA-N 2 1 277.456 3.880 20 30 CHEDMP C[C@H](CCCC#N)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500375 1132250029 /nfs/dbraw/zinc/25/00/29/1132250029.db2.gz NAKJASUUJJRXGJ-IEBWSBKVSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCCC#N)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172500375 1132250033 /nfs/dbraw/zinc/25/00/33/1132250033.db2.gz NAKJASUUJJRXGJ-IEBWSBKVSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@H](CCCC#N)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172500375 1132250037 /nfs/dbraw/zinc/25/00/37/1132250037.db2.gz NAKJASUUJJRXGJ-IEBWSBKVSA-N 2 1 299.462 3.523 20 30 CHEDMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590258 1132496660 /nfs/dbraw/zinc/49/66/60/1132496660.db2.gz BEFYFPNCUYUOAE-IVMQYODDSA-N 2 1 299.462 3.556 20 30 CHEDMP C=CCCCCCC[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206581020 1133722554 /nfs/dbraw/zinc/72/25/54/1133722554.db2.gz HGTDRWHMZYJIBM-QGZVFWFLSA-N 2 1 266.473 3.975 20 30 CHEDMP CCCCCCC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222288324 1135218602 /nfs/dbraw/zinc/21/86/02/1135218602.db2.gz XBQYGFJAKUDRJU-UHFFFAOYSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345219 1135230219 /nfs/dbraw/zinc/23/02/19/1135230219.db2.gz JLZZJGZPRYQJFJ-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP CCCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345219 1135230223 /nfs/dbraw/zinc/23/02/23/1135230223.db2.gz JLZZJGZPRYQJFJ-INIZCTEOSA-N 2 1 252.446 3.565 20 30 CHEDMP C=CCCC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000117883723 260117158 /nfs/dbraw/zinc/11/71/58/260117158.db2.gz TUHOCSJHUSTWLW-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=CCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000117883723 260117159 /nfs/dbraw/zinc/11/71/59/260117159.db2.gz TUHOCSJHUSTWLW-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=CCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000117883723 260117160 /nfs/dbraw/zinc/11/71/60/260117160.db2.gz TUHOCSJHUSTWLW-UHFFFAOYSA-N 2 1 272.436 3.549 20 30 CHEDMP C=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000130507949 260396106 /nfs/dbraw/zinc/39/61/06/260396106.db2.gz QXMMCNUHMNSVFX-INIZCTEOSA-N 2 1 272.436 3.595 20 30 CHEDMP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948611 263367849 /nfs/dbraw/zinc/36/78/49/263367849.db2.gz VDDVTIFANFZAED-ROUUACIJSA-N 2 1 272.436 3.768 20 30 CHEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000119597592 267345788 /nfs/dbraw/zinc/34/57/88/267345788.db2.gz OLIJCEQHNSFOGS-UHFFFAOYSA-N 2 1 297.446 3.702 20 30 CHEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000119597592 267345791 /nfs/dbraw/zinc/34/57/91/267345791.db2.gz OLIJCEQHNSFOGS-UHFFFAOYSA-N 2 1 297.446 3.702 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000180948406 329224239 /nfs/dbraw/zinc/22/42/39/329224239.db2.gz XJXALLOUYUOYEU-KBPBESRZSA-N 2 1 269.392 3.796 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272883049 330093449 /nfs/dbraw/zinc/09/34/49/330093449.db2.gz NTHMWTZQLDCQMQ-JZXOWHBKSA-N 2 1 272.436 3.594 20 30 CHEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272883049 330093450 /nfs/dbraw/zinc/09/34/50/330093450.db2.gz NTHMWTZQLDCQMQ-JZXOWHBKSA-N 2 1 272.436 3.594 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000564144813 330373496 /nfs/dbraw/zinc/37/34/96/330373496.db2.gz VVRUOLPSUWVNFH-DNVCBOLYSA-N 2 1 284.447 3.865 20 30 CHEDMP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC1 ZINC000439092985 330733726 /nfs/dbraw/zinc/73/37/26/330733726.db2.gz PWCHHNOYXYFNFK-MRXNPFEDSA-N 2 1 264.457 3.585 20 30 CHEDMP C=CCCCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549354 333252955 /nfs/dbraw/zinc/25/29/55/333252955.db2.gz QZZHWEWDMIJGNB-IAGOWNOFSA-N 2 1 278.484 3.975 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(CCC)CC2)CC1 ZINC000236795696 333375398 /nfs/dbraw/zinc/37/53/98/333375398.db2.gz OMJXLLBTHSETPB-UHFFFAOYSA-N 2 1 278.484 3.975 20 30 CHEDMP C=CCCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548159022 334143806 /nfs/dbraw/zinc/14/38/06/334143806.db2.gz PBEFKEXSDJJJDP-PKOBYXMFSA-N 2 1 286.463 3.843 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550796069 334228873 /nfs/dbraw/zinc/22/88/73/334228873.db2.gz SRAQZAHPQDKUHH-RCCFBDPRSA-N 2 1 272.436 3.766 20 30 CHEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550796069 334228874 /nfs/dbraw/zinc/22/88/74/334228874.db2.gz SRAQZAHPQDKUHH-RCCFBDPRSA-N 2 1 272.436 3.766 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C(CCC)CCC)CC1 ZINC000177314049 335370082 /nfs/dbraw/zinc/37/00/82/335370082.db2.gz CABNEUMJFAPYAQ-UHFFFAOYSA-N 2 1 252.446 3.585 20 30 CHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000106245221 526602073 /nfs/dbraw/zinc/60/20/73/526602073.db2.gz HRAOFPWXOQIDIR-GHRIWEEISA-N 2 1 284.447 3.720 20 30 CHEDMP