smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000398966124 802929204 /nfs/dbraw/zinc/92/92/04/802929204.db2.gz RBMRDNVMUFLXFN-KKUMJFAQSA-N 2 3 255.450 2.227 20 0 CEADHP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@@H](N)CCC[NH3+] ZINC001170904285 813631250 /nfs/dbraw/zinc/63/12/50/813631250.db2.gz NBHSOVHPVJZGOU-QGZVFWFLSA-N 2 3 290.455 2.417 20 0 CEADHP CCN(CC)CC[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC001255944969 814010117 /nfs/dbraw/zinc/01/01/17/814010117.db2.gz IJFHALVADSNNOG-OAHLLOKOSA-N 2 3 269.477 2.428 20 0 CEADHP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@H]1C[NH3+] ZINC001246565727 814057780 /nfs/dbraw/zinc/05/77/80/814057780.db2.gz ICAAJBYTGKLHPM-QXSJWSMHSA-N 2 3 281.488 2.460 20 0 CEADHP C[C@@H]1C[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@H]1C[NH3+] ZINC001246565727 814057786 /nfs/dbraw/zinc/05/77/86/814057786.db2.gz ICAAJBYTGKLHPM-QXSJWSMHSA-N 2 3 281.488 2.460 20 0 CEADHP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@@H]1C[NH3+] ZINC001246565686 814060637 /nfs/dbraw/zinc/06/06/37/814060637.db2.gz ICAAJBYTGKLHPM-KLHDSHLOSA-N 2 3 281.488 2.460 20 0 CEADHP C[C@@H]1C[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@@H]1C[NH3+] ZINC001246565686 814060644 /nfs/dbraw/zinc/06/06/44/814060644.db2.gz ICAAJBYTGKLHPM-KLHDSHLOSA-N 2 3 281.488 2.460 20 0 CEADHP N[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653727 299071506 /nfs/dbraw/zinc/07/15/06/299071506.db2.gz MGGMPVWFJDQCSH-NXOAAHMSSA-N 2 3 271.408 2.109 20 0 CEADHP C[C@H]1C[C@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728556 375941707 /nfs/dbraw/zinc/94/17/07/375941707.db2.gz CHEFNLHZUDCKGU-IDCNUPLLSA-N 2 3 287.451 2.049 20 0 CEADHP C[C@H]1C[C@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728556 375941715 /nfs/dbraw/zinc/94/17/15/375941715.db2.gz CHEFNLHZUDCKGU-IDCNUPLLSA-N 2 3 287.451 2.049 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422711817 394732997 /nfs/dbraw/zinc/73/29/97/394732997.db2.gz HKSNYCXVLKXACU-GJZGRUSLSA-N 2 3 255.450 2.358 20 0 CEADHP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000414899331 394794839 /nfs/dbraw/zinc/79/48/39/394794839.db2.gz FLHYRWTWJOEHMT-OKZBNKHCSA-N 2 3 287.451 2.226 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422886783 394850013 /nfs/dbraw/zinc/85/00/13/394850013.db2.gz XRGGTYDDGZZYGC-IKGGRYGDSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422886783 394850017 /nfs/dbraw/zinc/85/00/17/394850017.db2.gz XRGGTYDDGZZYGC-IKGGRYGDSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369360 394904256 /nfs/dbraw/zinc/90/42/56/394904256.db2.gz OMAICTGADINJQA-PVXIVEMSSA-N 2 3 297.393 2.127 20 0 CEADHP C(C[NH+]1CCC(N2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000040694109 174377694 /nfs/dbraw/zinc/37/76/94/174377694.db2.gz WXKNANRJPTZRCJ-UHFFFAOYSA-N 2 3 279.472 2.326 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418247 281036200 /nfs/dbraw/zinc/03/62/00/281036200.db2.gz HGDRNIAEVWLKHB-BPLDGKMQSA-N 2 3 290.455 2.264 20 0 CEADHP C[C@@H]1C[C@H](C)[N@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000817880371 633751005 /nfs/dbraw/zinc/75/10/05/633751005.db2.gz QRHQRXXQXVPXIG-ILXRZTDVSA-N 2 3 255.450 2.201 20 0 CEADHP C[C@@H]1C[C@H](C)[N@@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000817880371 633751009 /nfs/dbraw/zinc/75/10/09/633751009.db2.gz QRHQRXXQXVPXIG-ILXRZTDVSA-N 2 3 255.450 2.201 20 0 CEADHP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1C ZINC000903099173 634968590 /nfs/dbraw/zinc/96/85/90/634968590.db2.gz CSOLOTOYFPFGNS-AEIJQKHESA-N 2 3 277.456 2.217 20 0 CEADHP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1C ZINC000903099173 634968593 /nfs/dbraw/zinc/96/85/93/634968593.db2.gz CSOLOTOYFPFGNS-AEIJQKHESA-N 2 3 277.456 2.217 20 0 CEADHP C[C@@]1(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377535 635603578 /nfs/dbraw/zinc/60/35/78/635603578.db2.gz RYWWNJGDVPBWSW-IAGOWNOFSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@@]1(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377535 635603581 /nfs/dbraw/zinc/60/35/81/635603581.db2.gz RYWWNJGDVPBWSW-IAGOWNOFSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@@H]1C[N@H+](C[C@H](N)CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410573 635617298 /nfs/dbraw/zinc/61/72/98/635617298.db2.gz OWHBAOAYDIRVPN-HZSPNIEDSA-N 2 3 255.450 2.057 20 0 CEADHP C[C@@H]1C[N@@H+](C[C@H](N)CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410573 635617303 /nfs/dbraw/zinc/61/73/03/635617303.db2.gz OWHBAOAYDIRVPN-HZSPNIEDSA-N 2 3 255.450 2.057 20 0 CEADHP [NH3+]CCCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000844221495 640635567 /nfs/dbraw/zinc/63/55/67/640635567.db2.gz ORESJEDFEYCHTC-MRXNPFEDSA-N 2 3 267.461 2.313 20 0 CEADHP CCC[C@@]1(CN[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246458281 813836106 /nfs/dbraw/zinc/83/61/06/813836106.db2.gz XWWRGPMVGSIWSO-OAGGEKHMSA-N 2 3 265.445 2.031 20 0 CEADHP N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653728 299071192 /nfs/dbraw/zinc/07/11/92/299071192.db2.gz MGGMPVWFJDQCSH-YLFCFFPRSA-N 2 3 271.408 2.109 20 0 CEADHP C[NH+](C)CC1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090668803 344142537 /nfs/dbraw/zinc/14/25/37/344142537.db2.gz PSMOFSUOTHEJOM-SJJHQCBESA-N 2 3 279.472 2.323 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCN(C)C1 ZINC000251184107 344635864 /nfs/dbraw/zinc/63/58/64/344635864.db2.gz HXSNPIHVXRZECA-OAGGEKHMSA-N 2 3 267.461 2.229 20 0 CEADHP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423272334 377192597 /nfs/dbraw/zinc/19/25/97/377192597.db2.gz JXBXTQORDDSGIT-NXOAAHMSSA-N 2 3 279.472 2.277 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422885007 394848991 /nfs/dbraw/zinc/84/89/91/394848991.db2.gz SYRNGBYNBHZTBU-ILXRZTDVSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422885007 394848994 /nfs/dbraw/zinc/84/89/94/394848994.db2.gz SYRNGBYNBHZTBU-ILXRZTDVSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H]1C[NH2+]CC[C@@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000663495242 414969148 /nfs/dbraw/zinc/96/91/48/414969148.db2.gz WICLTZDQPNRORZ-DOTOQJQBSA-N 2 3 275.440 2.083 20 0 CEADHP C[C@H]1C[NH2+]CC[C@@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000663495242 414969152 /nfs/dbraw/zinc/96/91/52/414969152.db2.gz WICLTZDQPNRORZ-DOTOQJQBSA-N 2 3 275.440 2.083 20 0 CEADHP CC(C)(C)N1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415000422 278341448 /nfs/dbraw/zinc/34/14/48/278341448.db2.gz KFVHNCFRBOTYBM-UONOGXRCSA-N 2 3 267.461 2.356 20 0 CEADHP CC(C)[N@H+](C)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000573722211 314173728 /nfs/dbraw/zinc/17/37/28/314173728.db2.gz AJAAZJHRIFDSRS-MRXNPFEDSA-N 2 3 267.461 2.038 20 0 CEADHP CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000573722211 314173731 /nfs/dbraw/zinc/17/37/31/314173731.db2.gz AJAAZJHRIFDSRS-MRXNPFEDSA-N 2 3 267.461 2.038 20 0 CEADHP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000573722211 314173735 /nfs/dbraw/zinc/17/37/35/314173735.db2.gz AJAAZJHRIFDSRS-MRXNPFEDSA-N 2 3 267.461 2.038 20 0 CEADHP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000573722211 314173738 /nfs/dbraw/zinc/17/37/38/314173738.db2.gz AJAAZJHRIFDSRS-MRXNPFEDSA-N 2 3 267.461 2.038 20 0 CEADHP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685993 628491928 /nfs/dbraw/zinc/49/19/28/628491928.db2.gz PBDBLNWMZVVDHM-XUWVNRHRSA-N 2 3 279.472 2.085 20 0 CEADHP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685993 628491930 /nfs/dbraw/zinc/49/19/30/628491930.db2.gz PBDBLNWMZVVDHM-XUWVNRHRSA-N 2 3 279.472 2.085 20 0 CEADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925700760 628537857 /nfs/dbraw/zinc/53/78/57/628537857.db2.gz SMPNUXCVHPTORZ-SUJAAXHWSA-N 2 3 279.472 2.118 20 0 CEADHP CC(C)(C)CC[C@@H](N)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334264 635577549 /nfs/dbraw/zinc/57/75/49/635577549.db2.gz QMPUHYCONXKUDP-UONOGXRCSA-N 2 3 255.450 2.201 20 0 CEADHP CC(C)(C)CC[C@@H](N)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334264 635577551 /nfs/dbraw/zinc/57/75/51/635577551.db2.gz QMPUHYCONXKUDP-UONOGXRCSA-N 2 3 255.450 2.201 20 0 CEADHP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1C ZINC000903099175 634968824 /nfs/dbraw/zinc/96/88/24/634968824.db2.gz CSOLOTOYFPFGNS-VGWXVEKNSA-N 2 3 277.456 2.217 20 0 CEADHP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1C ZINC000903099175 634968827 /nfs/dbraw/zinc/96/88/27/634968827.db2.gz CSOLOTOYFPFGNS-VGWXVEKNSA-N 2 3 277.456 2.217 20 0 CEADHP C[C@]1(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC000904416725 635621134 /nfs/dbraw/zinc/62/11/34/635621134.db2.gz QKABLFDUJVRQSY-WMZOPIPTSA-N 2 3 293.499 2.478 20 0 CEADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416598 635621608 /nfs/dbraw/zinc/62/16/08/635621608.db2.gz PUWVFIRJUJYWMW-NVXWUHKLSA-N 2 3 281.488 2.319 20 0 CEADHP CCN(C)C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000844221898 640636223 /nfs/dbraw/zinc/63/62/23/640636223.db2.gz XYSHOMBNQKIBGY-HNNXBMFYSA-N 2 3 255.450 2.169 20 0 CEADHP CCN(C)C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844221898 640636227 /nfs/dbraw/zinc/63/62/27/640636227.db2.gz XYSHOMBNQKIBGY-HNNXBMFYSA-N 2 3 255.450 2.169 20 0 CEADHP CC[N@H+](C)C[C@@H]1CCN(CCCCCCC[NH3+])C1 ZINC000844221898 640636232 /nfs/dbraw/zinc/63/62/32/640636232.db2.gz XYSHOMBNQKIBGY-HNNXBMFYSA-N 2 3 255.450 2.169 20 0 CEADHP CC[N@@H+](C)C[C@@H]1CCN(CCCCCCC[NH3+])C1 ZINC000844221898 640636235 /nfs/dbraw/zinc/63/62/35/640636235.db2.gz XYSHOMBNQKIBGY-HNNXBMFYSA-N 2 3 255.450 2.169 20 0 CEADHP [NH3+]CCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223475 641232904 /nfs/dbraw/zinc/23/29/04/641232904.db2.gz LJXGTPNHNPWYBB-DOTOQJQBSA-N 2 3 279.472 2.454 20 0 CEADHP [NH3+]CCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000846223475 641232910 /nfs/dbraw/zinc/23/29/10/641232910.db2.gz LJXGTPNHNPWYBB-DOTOQJQBSA-N 2 3 279.472 2.454 20 0 CEADHP C[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000923386936 643692646 /nfs/dbraw/zinc/69/26/46/643692646.db2.gz LKPWQZDJBHGZBT-AKBNIOSXSA-N 2 3 279.472 2.356 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000923386936 643692651 /nfs/dbraw/zinc/69/26/51/643692651.db2.gz LKPWQZDJBHGZBT-AKBNIOSXSA-N 2 3 279.472 2.356 20 0 CEADHP CC(C)[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC001206581471 813022043 /nfs/dbraw/zinc/02/20/43/813022043.db2.gz JENPHMZJYNXQOJ-JKSUJKDBSA-N 2 3 267.461 2.229 20 0 CEADHP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC001206581471 813022050 /nfs/dbraw/zinc/02/20/50/813022050.db2.gz JENPHMZJYNXQOJ-JKSUJKDBSA-N 2 3 267.461 2.229 20 0 CEADHP [NH3+][C@H]1C[C@@H](NCCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652915 299071473 /nfs/dbraw/zinc/07/14/73/299071473.db2.gz OVIJCUOQIUQPQQ-JKSUJKDBSA-N 2 3 257.381 2.031 20 0 CEADHP [NH3+]CCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414760300 540245849 /nfs/dbraw/zinc/24/58/49/540245849.db2.gz YCGFTRACJALRHM-UHFFFAOYSA-N 2 3 287.451 2.323 20 0 CEADHP [NH3+]CCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414760300 540245851 /nfs/dbraw/zinc/24/58/51/540245851.db2.gz YCGFTRACJALRHM-UHFFFAOYSA-N 2 3 287.451 2.323 20 0 CEADHP CSC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000353649735 370120854 /nfs/dbraw/zinc/12/08/54/370120854.db2.gz OGUKTWAQNCBKSQ-GJZGRUSLSA-N 2 3 297.512 2.030 20 0 CEADHP CSC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000353649735 370120860 /nfs/dbraw/zinc/12/08/60/370120860.db2.gz OGUKTWAQNCBKSQ-GJZGRUSLSA-N 2 3 297.512 2.030 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206186 371374936 /nfs/dbraw/zinc/37/49/36/371374936.db2.gz HDZKSJFJJRJXEW-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206186 371374939 /nfs/dbraw/zinc/37/49/39/371374939.db2.gz HDZKSJFJJRJXEW-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@H+](C)C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359206186 371374943 /nfs/dbraw/zinc/37/49/43/371374943.db2.gz HDZKSJFJJRJXEW-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@@H+](C)C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359206186 371374947 /nfs/dbraw/zinc/37/49/47/371374947.db2.gz HDZKSJFJJRJXEW-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CC[NH+](CC)CCCN1CCC2(C1)CC[NH+](C)CC2 ZINC000639756605 371546608 /nfs/dbraw/zinc/54/66/08/371546608.db2.gz YMIDBKBUVQWWDZ-UHFFFAOYSA-N 2 3 267.461 2.136 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756605 371546616 /nfs/dbraw/zinc/54/66/16/371546616.db2.gz YMIDBKBUVQWWDZ-UHFFFAOYSA-N 2 3 267.461 2.136 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756605 371546623 /nfs/dbraw/zinc/54/66/23/371546623.db2.gz YMIDBKBUVQWWDZ-UHFFFAOYSA-N 2 3 267.461 2.136 20 0 CEADHP C[C@@H](NCC[C@H](C)[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423222707 377139903 /nfs/dbraw/zinc/13/99/03/377139903.db2.gz CEWWEDOBXHCFJI-UONOGXRCSA-N 2 3 279.428 2.015 20 0 CEADHP C[C@H]([NH2+]CCCC[NH3+])c1ccc(OCCN(C)C)cc1 ZINC000423326060 377257656 /nfs/dbraw/zinc/25/76/56/377257656.db2.gz JDVGNCFGSXMCBO-AWEZNQCLSA-N 2 3 279.428 2.017 20 0 CEADHP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)CN1CCCCC1 ZINC000422708835 394732093 /nfs/dbraw/zinc/73/20/93/394732093.db2.gz JLTXLZKGUMGIND-FHERZECASA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422881719 394847271 /nfs/dbraw/zinc/84/72/71/394847271.db2.gz OCYRBURVYQYAKF-JUVOFCAFSA-N 2 3 281.488 2.462 20 0 CEADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789753 395755027 /nfs/dbraw/zinc/75/50/27/395755027.db2.gz KMKZROIYUBNUJA-CWQOZTLDSA-N 2 3 293.499 2.332 20 0 CEADHP CC(C)CN(C)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000652222003 401466631 /nfs/dbraw/zinc/46/66/31/401466631.db2.gz CHJDQBULLVSKMO-HNNXBMFYSA-N 2 3 269.477 2.284 20 0 CEADHP C[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1CC[NH3+] ZINC000652356083 401492776 /nfs/dbraw/zinc/49/27/76/401492776.db2.gz RRPWOXZCLAUEQC-KSSFIOAISA-N 2 3 287.451 2.282 20 0 CEADHP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000665299200 415684384 /nfs/dbraw/zinc/68/43/84/415684384.db2.gz IJEFWVLAGQZFIO-WIHSUSGWSA-N 2 3 279.472 2.216 20 0 CEADHP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275084 415742918 /nfs/dbraw/zinc/74/29/18/415742918.db2.gz RJSGWALCSKSOBQ-RDJZCZTQSA-N 2 3 299.462 2.154 20 0 CEADHP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275084 415742924 /nfs/dbraw/zinc/74/29/24/415742924.db2.gz RJSGWALCSKSOBQ-RDJZCZTQSA-N 2 3 299.462 2.154 20 0 CEADHP C[C@@H]1C[C@@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000662284070 415753655 /nfs/dbraw/zinc/75/36/55/415753655.db2.gz SQXARBCYNUNDOF-CPUCHLNUSA-N 2 3 287.451 2.138 20 0 CEADHP C[NH+]1CCC(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000229937349 277026355 /nfs/dbraw/zinc/02/63/55/277026355.db2.gz NPBLZYCKIMACGZ-DLBZAZTESA-N 2 3 273.424 2.453 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422991173 280986071 /nfs/dbraw/zinc/98/60/71/280986071.db2.gz ONUPUPBSZVZCFE-AWEZNQCLSA-N 2 3 276.428 2.015 20 0 CEADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903482638 635151044 /nfs/dbraw/zinc/15/10/44/635151044.db2.gz NOQBRPIFHQZKJE-LMSBXDPUSA-N 2 3 293.499 2.462 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416072 635621063 /nfs/dbraw/zinc/62/10/63/635621063.db2.gz GEPWJTOPTDXVLY-DOTOQJQBSA-N 2 3 281.488 2.462 20 0 CEADHP CC(C)[C@@H](CN)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904457151 635643058 /nfs/dbraw/zinc/64/30/58/635643058.db2.gz NWDGVQKCCOWKKQ-INIZCTEOSA-N 2 3 289.467 2.210 20 0 CEADHP CC(C)[C@@H](C[NH3+])CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904457151 635643060 /nfs/dbraw/zinc/64/30/60/635643060.db2.gz NWDGVQKCCOWKKQ-INIZCTEOSA-N 2 3 289.467 2.210 20 0 CEADHP [NH3+]CCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000841033644 639625081 /nfs/dbraw/zinc/62/50/81/639625081.db2.gz QPBCGQFXSGEPAB-UHFFFAOYSA-N 2 3 287.451 2.152 20 0 CEADHP [NH3+]CCCCCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843363300 640405814 /nfs/dbraw/zinc/40/58/14/640405814.db2.gz VSFPTFCNBUPJAF-HOTGVXAUSA-N 2 3 267.461 2.360 20 0 CEADHP CC(C)(C)[NH2+]CCN[C@H]1CCCCC12CC[NH2+]CC2 ZINC000873231071 649602836 /nfs/dbraw/zinc/60/28/36/649602836.db2.gz GBKIJLRZAIOAPM-AWEZNQCLSA-N 2 3 267.461 2.277 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398966130 802929296 /nfs/dbraw/zinc/92/92/96/802929296.db2.gz RBMRDNVMUFLXFN-SOUVJXGZSA-N 2 3 255.450 2.227 20 0 CEADHP C[C@H](NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000715553486 814979000 /nfs/dbraw/zinc/97/90/00/814979000.db2.gz RUDPLGQTWAJKKC-UIDBIOKJSA-N 2 3 267.461 2.370 20 0 CEADHP C[C@H]1CC([NH2+]CCCCCCCC[NH3+])C[C@H](C)N1 ZINC001246081078 813674775 /nfs/dbraw/zinc/67/47/75/813674775.db2.gz QYFZEEHRMWVCKV-KBPBESRZSA-N 2 3 255.450 2.404 20 0 CEADHP C([NH2+]C1CCNCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001246236174 813746711 /nfs/dbraw/zinc/74/67/11/813746711.db2.gz KREBRRBDLBJESA-UHFFFAOYSA-N 2 3 279.472 2.373 20 0 CEADHP CC1(C)CNCC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246375396 813812209 /nfs/dbraw/zinc/81/22/09/813812209.db2.gz YHHHMYDJGBVQFJ-OAHLLOKOSA-N 2 3 279.472 2.277 20 0 CEADHP CCN(CC)CC[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC001255944967 814010287 /nfs/dbraw/zinc/01/02/87/814010287.db2.gz IJFHALVADSNNOG-HNNXBMFYSA-N 2 3 269.477 2.428 20 0 CEADHP CSC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000353649734 370121041 /nfs/dbraw/zinc/12/10/41/370121041.db2.gz OGUKTWAQNCBKSQ-CABCVRRESA-N 2 3 297.512 2.030 20 0 CEADHP CSC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000353649734 370121045 /nfs/dbraw/zinc/12/10/45/370121045.db2.gz OGUKTWAQNCBKSQ-CABCVRRESA-N 2 3 297.512 2.030 20 0 CEADHP C1[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CC[NH2+]CC2 ZINC000643536056 373192212 /nfs/dbraw/zinc/19/22/12/373192212.db2.gz MNMHNARPBLPTDH-JJXSEGSLSA-N 2 3 277.456 2.029 20 0 CEADHP C1[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C12CC[NH2+]CC2 ZINC000643536056 373192218 /nfs/dbraw/zinc/19/22/18/373192218.db2.gz MNMHNARPBLPTDH-JJXSEGSLSA-N 2 3 277.456 2.029 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000414689641 375919471 /nfs/dbraw/zinc/91/94/71/375919471.db2.gz LJTUTHXOGSWOPM-HNNXBMFYSA-N 2 3 255.450 2.024 20 0 CEADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000423294954 377221600 /nfs/dbraw/zinc/22/16/00/377221600.db2.gz VVIJWQZHVKAQKM-RCBQFDQVSA-N 2 3 261.413 2.456 20 0 CEADHP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000333886618 394655055 /nfs/dbraw/zinc/65/50/55/394655055.db2.gz XIMUGYJFJXGUCZ-HNKZQRQQSA-N 2 3 271.408 2.109 20 0 CEADHP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CNC1 ZINC000422823950 394812678 /nfs/dbraw/zinc/81/26/78/394812678.db2.gz FOMLRNRCJRKILX-CYBMUJFWSA-N 2 3 293.480 2.158 20 0 CEADHP C(CN1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420312030 395316199 /nfs/dbraw/zinc/31/61/99/395316199.db2.gz HPIWIOBYSOCBFY-SJORKVTESA-N 2 3 279.472 2.326 20 0 CEADHP C(C[N@@H+]1CC[C@H](CN2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326820 395329308 /nfs/dbraw/zinc/32/93/08/395329308.db2.gz XSIPSSQJITWUJG-DLBZAZTESA-N 2 3 279.472 2.184 20 0 CEADHP C(C[N@H+]1CC[C@H](CN2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326820 395329313 /nfs/dbraw/zinc/32/93/13/395329313.db2.gz XSIPSSQJITWUJG-DLBZAZTESA-N 2 3 279.472 2.184 20 0 CEADHP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326820 395329317 /nfs/dbraw/zinc/32/93/17/395329317.db2.gz XSIPSSQJITWUJG-DLBZAZTESA-N 2 3 279.472 2.184 20 0 CEADHP C[C@@H]1CNC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000647547948 395732580 /nfs/dbraw/zinc/73/25/80/395732580.db2.gz MXWQZNVGOQELMM-CWRNSKLLSA-N 2 3 261.413 2.054 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000647987765 395796629 /nfs/dbraw/zinc/79/66/29/395796629.db2.gz YEXWVFODCNSCSD-IAGOWNOFSA-N 2 3 279.472 2.230 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423045849 281007594 /nfs/dbraw/zinc/00/75/94/281007594.db2.gz STKSBHGGYSVORR-ZDUSSCGKSA-N 2 3 290.455 2.231 20 0 CEADHP C1[C@@H](N[C@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437445 281041828 /nfs/dbraw/zinc/04/18/28/281041828.db2.gz QOVHNAQSVXPBTC-MDMSPXHWSA-N 2 3 291.483 2.275 20 0 CEADHP C1[C@@H]([NH2+][C@H]2CCC[C@@H]2[C@H]2CCCCN2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437445 281041830 /nfs/dbraw/zinc/04/18/30/281041830.db2.gz QOVHNAQSVXPBTC-MDMSPXHWSA-N 2 3 291.483 2.275 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000581022166 322363365 /nfs/dbraw/zinc/36/33/65/322363365.db2.gz MSPSJYYIPUQNIN-JKSUJKDBSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]([NH2+]CCCN(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924539148 625637155 /nfs/dbraw/zinc/63/71/55/625637155.db2.gz IBZYGGZFXLYLKN-CQSZACIVSA-N 2 3 263.429 2.351 20 0 CEADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925632471 628328038 /nfs/dbraw/zinc/32/80/38/628328038.db2.gz RVLDPPPKNYKNHV-DLBZAZTESA-N 2 3 293.499 2.476 20 0 CEADHP CC(C)(C)CC[C@@H](N)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000904354441 635587079 /nfs/dbraw/zinc/58/70/79/635587079.db2.gz YHNNHAXUFDGMPB-MRXNPFEDSA-N 2 3 277.456 2.431 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000904443374 635639256 /nfs/dbraw/zinc/63/92/56/635639256.db2.gz HMLVENWMJJZMAL-AWEZNQCLSA-N 2 3 255.450 2.057 20 0 CEADHP CCCC[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210155 813729610 /nfs/dbraw/zinc/72/96/10/813729610.db2.gz IIRJMTAGCFQLFE-HUUCEWRRSA-N 2 3 267.461 2.277 20 0 CEADHP C[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)CC(C)(C)CC[NH3+] ZINC001246331407 813781920 /nfs/dbraw/zinc/78/19/20/813781920.db2.gz ACFVZOZUEZAEKV-BFHYXJOUSA-N 2 3 255.450 2.118 20 0 CEADHP CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246568402 814072568 /nfs/dbraw/zinc/07/25/68/814072568.db2.gz OAMGLSFHNCNTDT-PMPSAXMXSA-N 2 3 269.477 2.414 20 0 CEADHP CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246568402 814072576 /nfs/dbraw/zinc/07/25/76/814072576.db2.gz OAMGLSFHNCNTDT-PMPSAXMXSA-N 2 3 269.477 2.414 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578248211 366468799 /nfs/dbraw/zinc/46/87/99/366468799.db2.gz YWDCUKCRVPCNGC-SJORKVTESA-N 2 3 275.440 2.498 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578248211 366468804 /nfs/dbraw/zinc/46/88/04/366468804.db2.gz YWDCUKCRVPCNGC-SJORKVTESA-N 2 3 275.440 2.498 20 0 CEADHP CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675821593 540876476 /nfs/dbraw/zinc/87/64/76/540876476.db2.gz LCZQIMXWIXWENW-CVEARBPZSA-N 2 3 281.488 2.427 20 0 CEADHP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000635011831 369049779 /nfs/dbraw/zinc/04/97/79/369049779.db2.gz PKNMLFKKVRVHIP-FXUDXRNXSA-N 2 3 279.472 2.227 20 0 CEADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCC[NH3+])CC1 ZINC000414897127 376011819 /nfs/dbraw/zinc/01/18/19/376011819.db2.gz AVPHSGKRXBQWPQ-HOCLYGCPSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC[NH3+])CC1 ZINC000414897127 376011824 /nfs/dbraw/zinc/01/18/24/376011824.db2.gz AVPHSGKRXBQWPQ-HOCLYGCPSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422985934 376906725 /nfs/dbraw/zinc/90/67/25/376906725.db2.gz FZBJZKODLYDTNB-WMLDXEAASA-N 2 3 288.439 2.028 20 0 CEADHP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423337991 377269618 /nfs/dbraw/zinc/26/96/18/377269618.db2.gz HWXGDPWBZRLYRT-VQIMIIECSA-N 2 3 299.462 2.406 20 0 CEADHP C[C@@H](NCC1=CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337991 377269627 /nfs/dbraw/zinc/26/96/27/377269627.db2.gz HWXGDPWBZRLYRT-VQIMIIECSA-N 2 3 299.462 2.406 20 0 CEADHP C[C@@H](NCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337991 377269632 /nfs/dbraw/zinc/26/96/32/377269632.db2.gz HWXGDPWBZRLYRT-VQIMIIECSA-N 2 3 299.462 2.406 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709782 394749473 /nfs/dbraw/zinc/74/94/73/394749473.db2.gz QBICPCLWFIJTCQ-PMPSAXMXSA-N 2 3 267.461 2.038 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709782 394749476 /nfs/dbraw/zinc/74/94/76/394749476.db2.gz QBICPCLWFIJTCQ-PMPSAXMXSA-N 2 3 267.461 2.038 20 0 CEADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422698421 394725842 /nfs/dbraw/zinc/72/58/42/394725842.db2.gz ZFHNGVASIUSIRS-SJORKVTESA-N 2 3 275.440 2.498 20 0 CEADHP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000422778000 394777515 /nfs/dbraw/zinc/77/75/15/394777515.db2.gz DHMHIAVUGZYFCR-WMZOPIPTSA-N 2 3 289.467 2.486 20 0 CEADHP C[NH+](C)C1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000334388933 289066268 /nfs/dbraw/zinc/06/62/68/289066268.db2.gz REIFWVNAVCFDGT-BHDPWAOGSA-N 2 3 265.445 2.076 20 0 CEADHP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000647793668 395755721 /nfs/dbraw/zinc/75/57/21/395755721.db2.gz DHAAPVIOPAVSAA-WCXIOVBPSA-N 2 3 279.472 2.229 20 0 CEADHP C(CC1CCN(C[C@@H]2CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000647989542 395796803 /nfs/dbraw/zinc/79/68/03/395796803.db2.gz BECOPXQAXKGAGL-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP C[NH2+]Cc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000650755859 401033056 /nfs/dbraw/zinc/03/30/56/401033056.db2.gz OJVHDCKPAJNIEF-CJNGLKHVSA-N 2 3 261.413 2.013 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787321 415861848 /nfs/dbraw/zinc/86/18/48/415861848.db2.gz XHDGJCZSFYEJRT-JKSUJKDBSA-N 2 3 267.461 2.071 20 0 CEADHP CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422735543 270745016 /nfs/dbraw/zinc/74/50/16/270745016.db2.gz FEACFVCHAFEKNV-GJZGRUSLSA-N 2 3 255.450 2.214 20 0 CEADHP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@H]1CCC[NH2+]1 ZINC000423470984 281051350 /nfs/dbraw/zinc/05/13/50/281051350.db2.gz DRXWTVAXZWXHRQ-YYIAUSFCSA-N 2 3 279.472 2.419 20 0 CEADHP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334262 635577110 /nfs/dbraw/zinc/57/71/10/635577110.db2.gz QMPUHYCONXKUDP-KBPBESRZSA-N 2 3 255.450 2.201 20 0 CEADHP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334262 635577117 /nfs/dbraw/zinc/57/71/17/635577117.db2.gz QMPUHYCONXKUDP-KBPBESRZSA-N 2 3 255.450 2.201 20 0 CEADHP c1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)sc2c1CNCC2 ZINC000873211520 649591703 /nfs/dbraw/zinc/59/17/03/649591703.db2.gz AZJXUPYQCXCJNB-ZDUSSCGKSA-N 2 3 279.453 2.016 20 0 CEADHP CC(C)[C@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246800208 814261804 /nfs/dbraw/zinc/26/18/04/814261804.db2.gz WLFZELHJKLNAJX-HZPDHXFCSA-N 2 3 267.461 2.085 20 0 CEADHP CC(C)[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246800208 814261811 /nfs/dbraw/zinc/26/18/11/814261811.db2.gz WLFZELHJKLNAJX-HZPDHXFCSA-N 2 3 267.461 2.085 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000635005861 369042959 /nfs/dbraw/zinc/04/29/59/369042959.db2.gz PSGFQLOJXPHJKR-GVAFMPQTSA-N 2 3 259.397 2.238 20 0 CEADHP CN(CCC1CC[NH2+]CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000234266278 370531461 /nfs/dbraw/zinc/53/14/61/370531461.db2.gz RPLXHLFDORGVKC-INIZCTEOSA-N 2 3 267.461 2.182 20 0 CEADHP CN(CCC1CC[NH2+]CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000234266278 370531466 /nfs/dbraw/zinc/53/14/66/370531466.db2.gz RPLXHLFDORGVKC-INIZCTEOSA-N 2 3 267.461 2.182 20 0 CEADHP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000250810589 371391835 /nfs/dbraw/zinc/39/18/35/371391835.db2.gz DHKJSFHQMAHCIO-BZZMCLGOSA-N 2 3 291.483 2.371 20 0 CEADHP C[N@H+](CC1CC1)C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359212905 371377859 /nfs/dbraw/zinc/37/78/59/371377859.db2.gz NXBRUKZXEHUYFQ-QGZVFWFLSA-N 2 3 279.472 2.040 20 0 CEADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359212905 371377865 /nfs/dbraw/zinc/37/78/65/371377865.db2.gz NXBRUKZXEHUYFQ-QGZVFWFLSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212905 371377872 /nfs/dbraw/zinc/37/78/72/371377872.db2.gz NXBRUKZXEHUYFQ-QGZVFWFLSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212905 371377879 /nfs/dbraw/zinc/37/78/79/371377879.db2.gz NXBRUKZXEHUYFQ-QGZVFWFLSA-N 2 3 279.472 2.040 20 0 CEADHP CC[NH+](CC)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261803753 371737739 /nfs/dbraw/zinc/73/77/39/371737739.db2.gz HEYJFYHEIPIKNQ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000261803753 371737743 /nfs/dbraw/zinc/73/77/43/371737743.db2.gz HEYJFYHEIPIKNQ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728552 375941218 /nfs/dbraw/zinc/94/12/18/375941218.db2.gz CHEFNLHZUDCKGU-AHCXZYCDSA-N 2 3 287.451 2.049 20 0 CEADHP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728552 375941224 /nfs/dbraw/zinc/94/12/24/375941224.db2.gz CHEFNLHZUDCKGU-AHCXZYCDSA-N 2 3 287.451 2.049 20 0 CEADHP C[C@@H](N)C[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422711816 394733133 /nfs/dbraw/zinc/73/31/33/394733133.db2.gz HKSNYCXVLKXACU-CABCVRRESA-N 2 3 255.450 2.358 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422735491 394747575 /nfs/dbraw/zinc/74/75/75/394747575.db2.gz DWVCFENWIDGKLE-KGLIPLIRSA-N 2 3 263.429 2.354 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422735491 394747578 /nfs/dbraw/zinc/74/75/78/394747578.db2.gz DWVCFENWIDGKLE-KGLIPLIRSA-N 2 3 263.429 2.354 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422782313 394780481 /nfs/dbraw/zinc/78/04/81/394780481.db2.gz JTFIHMFMCSJQTG-ZBFHGGJFSA-N 2 3 267.461 2.086 20 0 CEADHP [NH3+]CCC[C@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415056241 394867011 /nfs/dbraw/zinc/86/70/11/394867011.db2.gz PPVSVJQZNLCXHU-HOCLYGCPSA-N 2 3 261.413 2.056 20 0 CEADHP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000415056241 394867017 /nfs/dbraw/zinc/86/70/17/394867017.db2.gz PPVSVJQZNLCXHU-HOCLYGCPSA-N 2 3 261.413 2.056 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000422886770 394850498 /nfs/dbraw/zinc/85/04/98/394850498.db2.gz XNQNAPWEYQNLMT-QLFBSQMISA-N 2 3 255.450 2.071 20 0 CEADHP CC[NH+](CC)C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315630 395320395 /nfs/dbraw/zinc/32/03/95/395320395.db2.gz LAHKGLYEROORKS-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315630 395320400 /nfs/dbraw/zinc/32/04/00/395320400.db2.gz LAHKGLYEROORKS-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315630 395320402 /nfs/dbraw/zinc/32/04/02/395320402.db2.gz LAHKGLYEROORKS-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H]1CNC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000647547950 395732512 /nfs/dbraw/zinc/73/25/12/395732512.db2.gz MXWQZNVGOQELMM-NUEKZKHPSA-N 2 3 261.413 2.054 20 0 CEADHP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000647793667 395755836 /nfs/dbraw/zinc/75/58/36/395755836.db2.gz DHAAPVIOPAVSAA-QBPKDAKJSA-N 2 3 279.472 2.229 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000650761972 401035558 /nfs/dbraw/zinc/03/55/58/401035558.db2.gz OUFOAEYYHLOURW-BRWVUGGUSA-N 2 3 279.472 2.277 20 0 CEADHP C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815224 415092208 /nfs/dbraw/zinc/09/22/08/415092208.db2.gz NFJAVBJFICVCLD-QZTJIDSGSA-N 2 3 291.483 2.325 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000655806266 415484872 /nfs/dbraw/zinc/48/48/72/415484872.db2.gz TWKAJWFXBFRTIH-OTVXOJSOSA-N 2 3 267.461 2.179 20 0 CEADHP [NH3+]CC[C@@H]1CCCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662272274 415738551 /nfs/dbraw/zinc/73/85/51/415738551.db2.gz DEBODFFXUBAQLK-INIZCTEOSA-N 2 3 273.424 2.036 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC1=CC[NH2+]CC1 ZINC000423540507 281066081 /nfs/dbraw/zinc/06/60/81/281066081.db2.gz QODBMNOUZFQGMX-GDBMZVCRSA-N 2 3 265.445 2.197 20 0 CEADHP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC000902358200 634614323 /nfs/dbraw/zinc/61/43/23/634614323.db2.gz BPSCDMKJVCMCNL-HNNXBMFYSA-N 2 3 279.472 2.371 20 0 CEADHP C[C@@H](N[C@@H](c1ccccc1)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000925727777 628647279 /nfs/dbraw/zinc/64/72/79/628647279.db2.gz HXJSLWPSJVLYAH-WOSRLPQWSA-N 2 3 261.413 2.053 20 0 CEADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(N2CCCCC2)CC1 ZINC000903878629 635324124 /nfs/dbraw/zinc/32/41/24/635324124.db2.gz JWWDSKNELONIEV-ALOPSCKCSA-N 2 3 291.483 2.467 20 0 CEADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000903975122 635393036 /nfs/dbraw/zinc/39/30/36/635393036.db2.gz XPJFLQZHFYHAQF-ZIAGYGMSSA-N 2 3 267.461 2.085 20 0 CEADHP CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000904314497 635561702 /nfs/dbraw/zinc/56/17/02/635561702.db2.gz ZNFIYOHTWNXCHQ-YESZJQIVSA-N 2 3 279.472 2.168 20 0 CEADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324934 643663289 /nfs/dbraw/zinc/66/32/89/643663289.db2.gz NRKQSPFEXUIGBH-XFYFCPPXSA-N 2 3 291.483 2.325 20 0 CEADHP C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324934 643663291 /nfs/dbraw/zinc/66/32/91/643663291.db2.gz NRKQSPFEXUIGBH-XFYFCPPXSA-N 2 3 291.483 2.325 20 0 CEADHP C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324934 643663293 /nfs/dbraw/zinc/66/32/93/643663293.db2.gz NRKQSPFEXUIGBH-XFYFCPPXSA-N 2 3 291.483 2.325 20 0 CEADHP C[C@H]1CN(CCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447622 652473111 /nfs/dbraw/zinc/47/31/11/652473111.db2.gz HDYRAQIRBMLJCZ-HNNXBMFYSA-N 2 3 276.428 2.111 20 0 CEADHP C[C@H]1C[N@H+](CCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447622 652473113 /nfs/dbraw/zinc/47/31/13/652473113.db2.gz HDYRAQIRBMLJCZ-HNNXBMFYSA-N 2 3 276.428 2.111 20 0 CEADHP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447622 652473116 /nfs/dbraw/zinc/47/31/16/652473116.db2.gz HDYRAQIRBMLJCZ-HNNXBMFYSA-N 2 3 276.428 2.111 20 0 CEADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246227415 813741215 /nfs/dbraw/zinc/74/12/15/813741215.db2.gz CTYJJTXRXUCXQQ-BZUAXINKSA-N 2 3 267.461 2.277 20 0 CEADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCN1 ZINC001246363672 813800711 /nfs/dbraw/zinc/80/07/11/813800711.db2.gz FUJRPIHCWNGNLS-RHSMWYFYSA-N 2 3 279.472 2.229 20 0 CEADHP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@@H]1C[NH3+] ZINC001246565665 814060656 /nfs/dbraw/zinc/06/06/56/814060656.db2.gz ICAAJBYTGKLHPM-FPCVCCKLSA-N 2 3 281.488 2.460 20 0 CEADHP C[C@@H]1C[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CCC[C@@H]1C[NH3+] ZINC001246565665 814060661 /nfs/dbraw/zinc/06/06/61/814060661.db2.gz ICAAJBYTGKLHPM-FPCVCCKLSA-N 2 3 281.488 2.460 20 0 CEADHP [NH3+][C@H]1C[C@H](NCCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652913 299071390 /nfs/dbraw/zinc/07/13/90/299071390.db2.gz OVIJCUOQIUQPQQ-HOTGVXAUSA-N 2 3 257.381 2.031 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCN(C)C1 ZINC000251184101 344635897 /nfs/dbraw/zinc/63/58/97/344635897.db2.gz HXSNPIHVXRZECA-BZUAXINKSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@H]1C[C@@H](CN2CCC([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000235742818 291056592 /nfs/dbraw/zinc/05/65/92/291056592.db2.gz NWDOQGNKJNCRQO-HOTGVXAUSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@H]1C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)CC[NH2+]1 ZINC000235742818 291056594 /nfs/dbraw/zinc/05/65/94/291056594.db2.gz NWDOQGNKJNCRQO-HOTGVXAUSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH3+])CC1 ZINC000414708020 540245316 /nfs/dbraw/zinc/24/53/16/540245316.db2.gz OLTFSMOJVABGAP-HNNXBMFYSA-N 2 3 267.461 2.312 20 0 CEADHP C[C@H]1CCCC[N@H+]1CCC1CCN(CCC[NH3+])CC1 ZINC000414708020 540245318 /nfs/dbraw/zinc/24/53/18/540245318.db2.gz OLTFSMOJVABGAP-HNNXBMFYSA-N 2 3 267.461 2.312 20 0 CEADHP N[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000635004062 369040398 /nfs/dbraw/zinc/04/03/98/369040398.db2.gz CXRSSJLUUWUXQL-AQFXKWCLSA-N 2 3 275.440 2.054 20 0 CEADHP C[C@H]1C[C@H](C[N@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732926 375944230 /nfs/dbraw/zinc/94/42/30/375944230.db2.gz JAUWKTCWZHZBSJ-DOTOQJQBSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@H]1C[C@H](C[N@@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732926 375944233 /nfs/dbraw/zinc/94/42/33/375944233.db2.gz JAUWKTCWZHZBSJ-DOTOQJQBSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@H]1C[C@H](CN(CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732926 375944238 /nfs/dbraw/zinc/94/42/38/375944238.db2.gz JAUWKTCWZHZBSJ-DOTOQJQBSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422985933 376908264 /nfs/dbraw/zinc/90/82/64/376908264.db2.gz FZBJZKODLYDTNB-RHSMWYFYSA-N 2 3 288.439 2.028 20 0 CEADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423126072 377023963 /nfs/dbraw/zinc/02/39/63/377023963.db2.gz AOPHSPXNYZTBMC-HZPDHXFCSA-N 2 3 267.461 2.230 20 0 CEADHP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000333886621 380172259 /nfs/dbraw/zinc/17/22/59/380172259.db2.gz XIMUGYJFJXGUCZ-ZJVPAZETSA-N 2 3 271.408 2.109 20 0 CEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422801924 394796963 /nfs/dbraw/zinc/79/69/63/394796963.db2.gz COZWMZWSTZHODX-PBHICJAKSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789755 395755251 /nfs/dbraw/zinc/75/52/51/395755251.db2.gz KMKZROIYUBNUJA-IGKNDFSCSA-N 2 3 293.499 2.332 20 0 CEADHP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CN1CCCC1 ZINC000647794901 395756275 /nfs/dbraw/zinc/75/62/75/395756275.db2.gz FKGRKBHJHQAEGS-BZUAXINKSA-N 2 3 279.472 2.086 20 0 CEADHP C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401000088 414748027 /nfs/dbraw/zinc/74/80/27/414748027.db2.gz AZQBSFSMPMRAEH-WCXIOVBPSA-N 2 3 279.472 2.229 20 0 CEADHP C[NH+]1CCC(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000132065343 277026912 /nfs/dbraw/zinc/02/69/12/277026912.db2.gz VCMCYAHNEXQUKC-HOTGVXAUSA-N 2 3 259.397 2.063 20 0 CEADHP C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@@H]1CCC[NH2+]1 ZINC000423470980 281051379 /nfs/dbraw/zinc/05/13/79/281051379.db2.gz DRXWTVAXZWXHRQ-NXOAAHMSSA-N 2 3 279.472 2.419 20 0 CEADHP C[C@@]1(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000904416927 635621113 /nfs/dbraw/zinc/62/11/13/635621113.db2.gz UIOQIQGQZWMYDO-DOTOQJQBSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc[nH+]cc1C1CC1 ZINC000872595637 649434731 /nfs/dbraw/zinc/43/47/31/649434731.db2.gz IYLCEEHZMAHQPK-AWEZNQCLSA-N 2 3 290.455 2.065 20 0 CEADHP C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc[nH+]cc1C1CC1 ZINC000872595637 649434734 /nfs/dbraw/zinc/43/47/34/649434734.db2.gz IYLCEEHZMAHQPK-AWEZNQCLSA-N 2 3 290.455 2.065 20 0 CEADHP C[N@H+](Cc1cc2c(s1)CCNC2)C1CCC([NH3+])CC1 ZINC000873201897 649586303 /nfs/dbraw/zinc/58/63/03/649586303.db2.gz PDCFAUXXTNBGSO-UHFFFAOYSA-N 2 3 279.453 2.096 20 0 CEADHP C[N@@H+](Cc1cc2c(s1)CCNC2)C1CCC([NH3+])CC1 ZINC000873201897 649586305 /nfs/dbraw/zinc/58/63/05/649586305.db2.gz PDCFAUXXTNBGSO-UHFFFAOYSA-N 2 3 279.453 2.096 20 0 CEADHP CC(C)[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC001206581466 813021972 /nfs/dbraw/zinc/02/19/72/813021972.db2.gz JENPHMZJYNXQOJ-HOTGVXAUSA-N 2 3 267.461 2.229 20 0 CEADHP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC001206581466 813021981 /nfs/dbraw/zinc/02/19/81/813021981.db2.gz JENPHMZJYNXQOJ-HOTGVXAUSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@H](Cc1cccc(F)c1)NCCC[NH2+]CCCC[NH3+] ZINC001246459671 813841166 /nfs/dbraw/zinc/84/11/66/813841166.db2.gz YELDQPCRAZFESC-CQSZACIVSA-N 2 3 281.419 2.065 20 0 CEADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246501168 813872879 /nfs/dbraw/zinc/87/28/79/813872879.db2.gz AORQMYGXFKACPG-WCVJEAGWSA-N 2 3 267.461 2.370 20 0 CEADHP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571305 814094130 /nfs/dbraw/zinc/09/41/30/814094130.db2.gz BBSKBOMZZXHGOS-FZKCQIBNSA-N 2 3 265.445 2.110 20 0 CEADHP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571305 814094136 /nfs/dbraw/zinc/09/41/36/814094136.db2.gz BBSKBOMZZXHGOS-FZKCQIBNSA-N 2 3 265.445 2.110 20 0 CEADHP C1CC2(C1)C[C@H](N1CCC[C@]13CCC[NH2+]CC3)CC[NH2+]2 ZINC001246604889 814204625 /nfs/dbraw/zinc/20/46/25/814204625.db2.gz JBAKKUAGALZITH-WBVHZDCISA-N 2 3 277.456 2.269 20 0 CEADHP CN1CCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000161618593 367102419 /nfs/dbraw/zinc/10/24/19/367102419.db2.gz YRWJPMVOYWRMJR-KRWDZBQOSA-N 2 3 279.472 2.279 20 0 CEADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783053 394782002 /nfs/dbraw/zinc/78/20/02/394782002.db2.gz KNTHGRZEPQOPFZ-CABCVRRESA-N 2 3 275.440 2.498 20 0 CEADHP [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422803160 394797985 /nfs/dbraw/zinc/79/79/85/394797985.db2.gz FQQPDLSHCPFJBA-QZTJIDSGSA-N 2 3 287.451 2.499 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423420548 394918008 /nfs/dbraw/zinc/91/80/08/394918008.db2.gz BNOSIPFMHJJBHI-KLHDSHLOSA-N 2 3 267.461 2.404 20 0 CEADHP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[C@H]([C@H]2CCCCN2)C1 ZINC000423551051 394949985 /nfs/dbraw/zinc/94/99/85/394949985.db2.gz OJFCTKJLKIXKDN-SHRADXDESA-N 2 3 291.483 2.275 20 0 CEADHP CC[NH+](CC)C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315627 395320334 /nfs/dbraw/zinc/32/03/34/395320334.db2.gz LAHKGLYEROORKS-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315627 395320335 /nfs/dbraw/zinc/32/03/35/395320335.db2.gz LAHKGLYEROORKS-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315627 395320339 /nfs/dbraw/zinc/32/03/39/395320339.db2.gz LAHKGLYEROORKS-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652355616 401493454 /nfs/dbraw/zinc/49/34/54/401493454.db2.gz BCDLGGFZFOLHNO-ZBFHGGJFSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652355616 401493458 /nfs/dbraw/zinc/49/34/58/401493458.db2.gz BCDLGGFZFOLHNO-ZBFHGGJFSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401000084 414748002 /nfs/dbraw/zinc/74/80/02/414748002.db2.gz AZQBSFSMPMRAEH-LTIDMASMSA-N 2 3 279.472 2.229 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292470 415754368 /nfs/dbraw/zinc/75/43/68/415754368.db2.gz FKIJVRABHZSXHZ-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292470 415754374 /nfs/dbraw/zinc/75/43/74/415754374.db2.gz FKIJVRABHZSXHZ-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292470 415754376 /nfs/dbraw/zinc/75/43/76/415754376.db2.gz FKIJVRABHZSXHZ-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP [NH3+]CCCCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925713792 628565444 /nfs/dbraw/zinc/56/54/44/628565444.db2.gz UECJXLDAXLEEOJ-CVEARBPZSA-N 2 3 267.461 2.263 20 0 CEADHP C[N@@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000817948839 633794952 /nfs/dbraw/zinc/79/49/52/633794952.db2.gz LWECJWNWEYUZHV-BZSNNMDCSA-N 2 3 287.451 2.150 20 0 CEADHP C[N@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000817948839 633794957 /nfs/dbraw/zinc/79/49/57/633794957.db2.gz LWECJWNWEYUZHV-BZSNNMDCSA-N 2 3 287.451 2.150 20 0 CEADHP CCC1([NH+]2CCCC2)CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903476623 635146422 /nfs/dbraw/zinc/14/64/22/635146422.db2.gz CLCYSRNNWQZNEE-CVEARBPZSA-N 2 3 279.472 2.454 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000904443375 635638745 /nfs/dbraw/zinc/63/87/45/635638745.db2.gz HMLVENWMJJZMAL-CQSZACIVSA-N 2 3 255.450 2.057 20 0 CEADHP C[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000923386939 643692888 /nfs/dbraw/zinc/69/28/88/643692888.db2.gz LKPWQZDJBHGZBT-ZCRFILTFSA-N 2 3 279.472 2.356 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000923386939 643692891 /nfs/dbraw/zinc/69/28/91/643692891.db2.gz LKPWQZDJBHGZBT-ZCRFILTFSA-N 2 3 279.472 2.356 20 0 CEADHP CC(C)(N)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231813 649603519 /nfs/dbraw/zinc/60/35/19/649603519.db2.gz DRFLSBYRECHEQG-DZGCQCFKSA-N 2 3 267.461 2.343 20 0 CEADHP CC(C)(N)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231813 649603522 /nfs/dbraw/zinc/60/35/22/649603522.db2.gz DRFLSBYRECHEQG-DZGCQCFKSA-N 2 3 267.461 2.343 20 0 CEADHP [NH3+][C@@H]1C[C@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262327 649616151 /nfs/dbraw/zinc/61/61/51/649616151.db2.gz WYECVHSIVMEISH-IJNPPISZSA-N 2 3 271.408 2.251 20 0 CEADHP CCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733402 368844510 /nfs/dbraw/zinc/84/45/10/368844510.db2.gz DYYHGDRVSCTUFT-KFWWJZLASA-N 2 3 267.461 2.085 20 0 CEADHP [NH3+]CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415057622 394867460 /nfs/dbraw/zinc/86/74/60/394867460.db2.gz RUYHRPLPRDQFRH-CVEARBPZSA-N 2 3 261.413 2.198 20 0 CEADHP CC1CC[NH+](C[C@H]2CCCN(CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327040 395329532 /nfs/dbraw/zinc/32/95/32/395329532.db2.gz YHAFHOJDPLPRGU-ROUUACIJSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327040 395329537 /nfs/dbraw/zinc/32/95/37/395329537.db2.gz YHAFHOJDPLPRGU-ROUUACIJSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327040 395329543 /nfs/dbraw/zinc/32/95/43/395329543.db2.gz YHAFHOJDPLPRGU-ROUUACIJSA-N 2 3 293.499 2.430 20 0 CEADHP C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887485 395501301 /nfs/dbraw/zinc/50/13/01/395501301.db2.gz ULOPPJUYSOHRGA-NVXWUHKLSA-N 2 3 277.456 2.077 20 0 CEADHP CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647788528 395754872 /nfs/dbraw/zinc/75/48/72/395754872.db2.gz LIYFSYFMNKZAPB-FGTMMUONSA-N 2 3 287.451 2.226 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652355613 401493340 /nfs/dbraw/zinc/49/33/40/401493340.db2.gz BCDLGGFZFOLHNO-GDBMZVCRSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652355613 401493343 /nfs/dbraw/zinc/49/33/43/401493343.db2.gz BCDLGGFZFOLHNO-GDBMZVCRSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000665299975 415687564 /nfs/dbraw/zinc/68/75/64/415687564.db2.gz VWIDKRLKAAUVHF-GOEBONIOSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000423043705 281005997 /nfs/dbraw/zinc/00/59/97/281005997.db2.gz PTCGSKZNSQLIRP-ILXRZTDVSA-N 2 3 267.461 2.356 20 0 CEADHP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@@H]1CCC[NH2+]1 ZINC000423470977 281051390 /nfs/dbraw/zinc/05/13/90/281051390.db2.gz DRXWTVAXZWXHRQ-MWDXBVQZSA-N 2 3 279.472 2.419 20 0 CEADHP N[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000583641263 322559168 /nfs/dbraw/zinc/55/91/68/322559168.db2.gz KKUJWQQBVXNBRD-HUUCEWRRSA-N 2 3 253.434 2.112 20 0 CEADHP C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000161135675 624382467 /nfs/dbraw/zinc/38/24/67/624382467.db2.gz YDGPEYBYWZJPBP-BPUTZDHNSA-N 2 3 267.461 2.179 20 0 CEADHP CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000925689471 628500864 /nfs/dbraw/zinc/50/08/64/628500864.db2.gz ABFYVPIYHOXGNJ-JKSUJKDBSA-N 2 3 275.440 2.183 20 0 CEADHP C[N@@H+]1CCC[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472550 628834246 /nfs/dbraw/zinc/83/42/46/628834246.db2.gz CPLCVXJUXPHUBA-PKOBYXMFSA-N 2 3 299.462 2.248 20 0 CEADHP C[N@H+]1CCC[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472550 628834251 /nfs/dbraw/zinc/83/42/51/628834251.db2.gz CPLCVXJUXPHUBA-PKOBYXMFSA-N 2 3 299.462 2.248 20 0 CEADHP C[C@@H]1CCCCN1CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239767 630695841 /nfs/dbraw/zinc/69/58/41/630695841.db2.gz CNWWDPLHMUEOHS-OAHLLOKOSA-N 2 3 267.461 2.182 20 0 CEADHP C[C@H]([NH3+])C1CC[NH+](C[C@H](N)CCC(C)(C)C)CC1 ZINC000904299892 635552324 /nfs/dbraw/zinc/55/23/24/635552324.db2.gz QVQPODUYOQYZHF-GXTWGEPZSA-N 2 3 255.450 2.199 20 0 CEADHP C[NH+](C)CCCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904325321 635571759 /nfs/dbraw/zinc/57/17/59/635571759.db2.gz WHUZOBFZBIHXBQ-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP C[NH+](C)CCCC1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904325321 635571761 /nfs/dbraw/zinc/57/17/61/635571761.db2.gz WHUZOBFZBIHXBQ-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP C[NH+](C)CCCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904325322 635572050 /nfs/dbraw/zinc/57/20/50/635572050.db2.gz WHUZOBFZBIHXBQ-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP C[NH+](C)CCCC1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904325322 635572053 /nfs/dbraw/zinc/57/20/53/635572053.db2.gz WHUZOBFZBIHXBQ-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000925488541 644187527 /nfs/dbraw/zinc/18/75/27/644187527.db2.gz KLGNNARQRDRYBQ-LSDHHAIUSA-N 2 3 267.461 2.371 20 0 CEADHP C[C@H](NC1CCC(C)([NH+](C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000715553485 814978616 /nfs/dbraw/zinc/97/86/16/814978616.db2.gz RUDPLGQTWAJKKC-JWMHWRSXSA-N 2 3 267.461 2.370 20 0 CEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246226630 813741202 /nfs/dbraw/zinc/74/12/02/813741202.db2.gz AXMAQQXJIHOPSO-KKUMJFAQSA-N 2 3 267.461 2.132 20 0 CEADHP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C[C@H](C)N1 ZINC001246249314 813752150 /nfs/dbraw/zinc/75/21/50/813752150.db2.gz NZPFMEIZBZHKHZ-MIFYACCESA-N 2 3 279.472 2.417 20 0 CEADHP CCC[C@@]1(CN[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246458287 813836133 /nfs/dbraw/zinc/83/61/33/813836133.db2.gz XWWRGPMVGSIWSO-XHSDSOJGSA-N 2 3 265.445 2.031 20 0 CEADHP CC[NH+]1CCC(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157429529 344446355 /nfs/dbraw/zinc/44/63/55/344446355.db2.gz LMEFQXJEJSWZIP-IRXDYDNUSA-N 2 3 273.424 2.453 20 0 CEADHP C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC[NH+](C)CC1 ZINC000624120794 350198768 /nfs/dbraw/zinc/19/87/68/350198768.db2.gz HAQQFSZGBQSAMV-HUUCEWRRSA-N 2 3 267.461 2.038 20 0 CEADHP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000380897453 375167660 /nfs/dbraw/zinc/16/76/60/375167660.db2.gz APHDGFTWKJQPDG-KURKYZTESA-N 2 3 287.451 2.368 20 0 CEADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCC[NH3+])CC2)C1 ZINC000414897195 394794714 /nfs/dbraw/zinc/79/47/14/394794714.db2.gz BGLFDJYJONFFBY-ZBFHGGJFSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422801925 394796711 /nfs/dbraw/zinc/79/67/11/394796711.db2.gz COZWMZWSTZHODX-RHSMWYFYSA-N 2 3 275.440 2.226 20 0 CEADHP [NH3+]CCC[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415056240 394867575 /nfs/dbraw/zinc/86/75/75/394867575.db2.gz PPVSVJQZNLCXHU-GOEBONIOSA-N 2 3 261.413 2.056 20 0 CEADHP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000415056240 394867578 /nfs/dbraw/zinc/86/75/78/394867578.db2.gz PPVSVJQZNLCXHU-GOEBONIOSA-N 2 3 261.413 2.056 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000422886772 394850326 /nfs/dbraw/zinc/85/03/26/394850326.db2.gz XNQNAPWEYQNLMT-ZNMIVQPWSA-N 2 3 255.450 2.071 20 0 CEADHP C1=C(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC[NH2+]C1 ZINC000423534683 394947070 /nfs/dbraw/zinc/94/70/70/394947070.db2.gz AQJBVIZAFVHOPL-YESZJQIVSA-N 2 3 277.456 2.197 20 0 CEADHP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]([C@H]2CCCCN2)C1 ZINC000423551050 394949507 /nfs/dbraw/zinc/94/95/07/394949507.db2.gz OJFCTKJLKIXKDN-OBRKIGFESA-N 2 3 291.483 2.275 20 0 CEADHP CN(CC[C@@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@@H+]1C ZINC000420321646 395324492 /nfs/dbraw/zinc/32/44/92/395324492.db2.gz RIWPEZLSZGGYRC-HOTGVXAUSA-N 2 3 267.461 2.182 20 0 CEADHP CN(CC[C@@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@H+]1C ZINC000420321646 395324495 /nfs/dbraw/zinc/32/44/95/395324495.db2.gz RIWPEZLSZGGYRC-HOTGVXAUSA-N 2 3 267.461 2.182 20 0 CEADHP C[C@@H]1CNC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000647547947 395732608 /nfs/dbraw/zinc/73/26/08/395732608.db2.gz MXWQZNVGOQELMM-BPUTZDHNSA-N 2 3 261.413 2.054 20 0 CEADHP CCCN(CCC)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647784455 395753960 /nfs/dbraw/zinc/75/39/60/395753960.db2.gz UOONSKJWCUSVMG-BRWVUGGUSA-N 2 3 281.488 2.476 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000656200843 415636811 /nfs/dbraw/zinc/63/68/11/415636811.db2.gz RQRFRHMTRFQXAP-SHUKQUCYSA-N 2 3 259.397 2.061 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000665299977 415689049 /nfs/dbraw/zinc/68/90/49/415689049.db2.gz VWIDKRLKAAUVHF-ZBFHGGJFSA-N 2 3 267.461 2.216 20 0 CEADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCN)CC1 ZINC000423196775 270867595 /nfs/dbraw/zinc/86/75/95/270867595.db2.gz WFTSJVSONWDTQJ-UHFFFAOYSA-N 2 3 275.440 2.368 20 0 CEADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCN)CC1 ZINC000423196775 270867597 /nfs/dbraw/zinc/86/75/97/270867597.db2.gz WFTSJVSONWDTQJ-UHFFFAOYSA-N 2 3 275.440 2.368 20 0 CEADHP C[NH+]1CCC(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000892086539 624305920 /nfs/dbraw/zinc/30/59/20/624305920.db2.gz RMDVSVAOHGGUDJ-QGZVFWFLSA-N 2 3 279.472 2.279 20 0 CEADHP C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727540 628646581 /nfs/dbraw/zinc/64/65/81/628646581.db2.gz HLBUMCHAFXTFGB-XOKHGSTOSA-N 2 3 279.472 2.132 20 0 CEADHP C[NH+]1CCC(C[NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000893998490 629081199 /nfs/dbraw/zinc/08/11/99/629081199.db2.gz FZLYMXZRFLSSBO-UHFFFAOYSA-N 2 3 267.461 2.040 20 0 CEADHP CC1([NH+]2CCCC2)CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000903987340 635407187 /nfs/dbraw/zinc/40/71/87/635407187.db2.gz ZYHAADGCXZXMEB-UHFFFAOYSA-N 2 3 277.456 2.125 20 0 CEADHP CC1([NH+]2CCCC2)CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000903987340 635407190 /nfs/dbraw/zinc/40/71/90/635407190.db2.gz ZYHAADGCXZXMEB-UHFFFAOYSA-N 2 3 277.456 2.125 20 0 CEADHP CC(C)(C)[NH2+]CCN[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873231072 649602952 /nfs/dbraw/zinc/60/29/52/649602952.db2.gz GBKIJLRZAIOAPM-CQSZACIVSA-N 2 3 267.461 2.277 20 0 CEADHP CC(C)(N)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231816 649603090 /nfs/dbraw/zinc/60/30/90/649603090.db2.gz DRFLSBYRECHEQG-UKRRQHHQSA-N 2 3 267.461 2.343 20 0 CEADHP CC(C)(N)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231816 649603091 /nfs/dbraw/zinc/60/30/91/649603091.db2.gz DRFLSBYRECHEQG-UKRRQHHQSA-N 2 3 267.461 2.343 20 0 CEADHP [NH3+][C@@H]1C[C@H](NCCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652912 299071519 /nfs/dbraw/zinc/07/15/19/299071519.db2.gz OVIJCUOQIUQPQQ-CVEARBPZSA-N 2 3 257.381 2.031 20 0 CEADHP C[C@@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)CNCC3)CC[NH2+]CC2 ZINC000563270804 377149995 /nfs/dbraw/zinc/14/99/95/377149995.db2.gz ASEVTAWDEPDCGY-OAHLLOKOSA-N 2 3 299.462 2.296 20 0 CEADHP C[C@@H]1CC2(C[N@H+]1Cc1ccc3c(c1)CNCC3)CC[NH2+]CC2 ZINC000563270804 377150005 /nfs/dbraw/zinc/15/00/05/377150005.db2.gz ASEVTAWDEPDCGY-OAHLLOKOSA-N 2 3 299.462 2.296 20 0 CEADHP C[N@H+](CCCCN[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000453413923 378893982 /nfs/dbraw/zinc/89/39/82/378893982.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCCN[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000453413923 378893990 /nfs/dbraw/zinc/89/39/90/378893990.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413923 378893997 /nfs/dbraw/zinc/89/39/97/378893997.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413923 378894005 /nfs/dbraw/zinc/89/40/05/378894005.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@H+](CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000453413923 378894011 /nfs/dbraw/zinc/89/40/11/378894011.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000453413923 378894016 /nfs/dbraw/zinc/89/40/16/378894016.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 2 3 265.445 2.077 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000093209803 394664182 /nfs/dbraw/zinc/66/41/82/394664182.db2.gz OOBYWQUSYNGTFT-KKUMJFAQSA-N 2 3 255.450 2.356 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422734342 394746983 /nfs/dbraw/zinc/74/69/83/394746983.db2.gz CMSVRYHBBWWCGF-ZBFHGGJFSA-N 2 3 267.461 2.086 20 0 CEADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783058 394781627 /nfs/dbraw/zinc/78/16/27/394781627.db2.gz KNTHGRZEPQOPFZ-LSDHHAIUSA-N 2 3 275.440 2.498 20 0 CEADHP C[C@@H]1C[C@H](C)[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992983 395798374 /nfs/dbraw/zinc/79/83/74/395798374.db2.gz WOEIOZUIQZVIDW-IJEWVQPXSA-N 2 3 267.461 2.071 20 0 CEADHP C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992983 395798377 /nfs/dbraw/zinc/79/83/77/395798377.db2.gz WOEIOZUIQZVIDW-IJEWVQPXSA-N 2 3 267.461 2.071 20 0 CEADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298849 415685791 /nfs/dbraw/zinc/68/57/91/415685791.db2.gz AUWGBIWVPDRCCI-IAGOWNOFSA-N 2 3 279.472 2.216 20 0 CEADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422778552 270763674 /nfs/dbraw/zinc/76/36/74/270763674.db2.gz DUMOARGJAYWPOZ-SJORKVTESA-N 2 3 275.440 2.498 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414982115 278341618 /nfs/dbraw/zinc/34/16/18/278341618.db2.gz YKKPXFWXTZCZMI-CQSZACIVSA-N 2 3 267.461 2.371 20 0 CEADHP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685990 628492110 /nfs/dbraw/zinc/49/21/10/628492110.db2.gz PBDBLNWMZVVDHM-FZKCQIBNSA-N 2 3 279.472 2.085 20 0 CEADHP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685990 628492115 /nfs/dbraw/zinc/49/21/15/628492115.db2.gz PBDBLNWMZVVDHM-FZKCQIBNSA-N 2 3 279.472 2.085 20 0 CEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246227417 813740433 /nfs/dbraw/zinc/74/04/33/813740433.db2.gz CTYJJTXRXUCXQQ-OAGGEKHMSA-N 2 3 267.461 2.277 20 0 CEADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCN1 ZINC001246363673 813801773 /nfs/dbraw/zinc/80/17/73/813801773.db2.gz FUJRPIHCWNGNLS-WMLDXEAASA-N 2 3 279.472 2.229 20 0 CEADHP CC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000335568840 364806275 /nfs/dbraw/zinc/80/62/75/364806275.db2.gz MKGHRZUSGJVBRD-GJZGRUSLSA-N 2 3 259.397 2.111 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006814 369042820 /nfs/dbraw/zinc/04/28/20/369042820.db2.gz SZIPMPBELACYLI-MRVWCRGKSA-N 2 3 276.428 2.017 20 0 CEADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713528 375936989 /nfs/dbraw/zinc/93/69/89/375936989.db2.gz WBFDJPJBALXQBW-ZACQAIPSSA-N 2 3 279.472 2.182 20 0 CEADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713528 375936996 /nfs/dbraw/zinc/93/69/96/375936996.db2.gz WBFDJPJBALXQBW-ZACQAIPSSA-N 2 3 279.472 2.182 20 0 CEADHP CC[NH+](CC)CC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414735728 375943852 /nfs/dbraw/zinc/94/38/52/375943852.db2.gz MHQDIVXYDIIQRP-MRXNPFEDSA-N 2 3 269.477 2.414 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423295983 377224760 /nfs/dbraw/zinc/22/47/60/377224760.db2.gz YCCVZELPDKWFNG-DVOMOZLQSA-N 2 3 261.413 2.184 20 0 CEADHP CCCC[N@H+](C)CC1CC[NH+](CC(C)(C)N)CC1 ZINC000346840485 218032111 /nfs/dbraw/zinc/03/21/11/218032111.db2.gz ZYRDWIRZQILOEC-UHFFFAOYSA-N 2 3 255.450 2.168 20 0 CEADHP CCCC[N@@H+](C)CC1CC[NH+](CC(C)(C)N)CC1 ZINC000346840485 218032112 /nfs/dbraw/zinc/03/21/12/218032112.db2.gz ZYRDWIRZQILOEC-UHFFFAOYSA-N 2 3 255.450 2.168 20 0 CEADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422708099 394730908 /nfs/dbraw/zinc/73/09/08/394730908.db2.gz BKSNJQVCHDKYCJ-LSDHHAIUSA-N 2 3 293.455 2.233 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422746972 394756511 /nfs/dbraw/zinc/75/65/11/394756511.db2.gz XUJVBNRKVWUCGL-HWOWSKLDSA-N 2 3 267.461 2.214 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422782311 394780576 /nfs/dbraw/zinc/78/05/76/394780576.db2.gz JTFIHMFMCSJQTG-HOCLYGCPSA-N 2 3 267.461 2.086 20 0 CEADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422787726 394785934 /nfs/dbraw/zinc/78/59/34/394785934.db2.gz QGFZJSXKOOIVGT-QZTJIDSGSA-N 2 3 287.451 2.499 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422990837 394876280 /nfs/dbraw/zinc/87/62/80/394876280.db2.gz ABIIJFBZRSKBTA-AQFXKWCLSA-N 2 3 281.488 2.462 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422874416 394842376 /nfs/dbraw/zinc/84/23/76/394842376.db2.gz CUJFFSSGBCDFDD-JKSUJKDBSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000422885008 394848817 /nfs/dbraw/zinc/84/88/17/394848817.db2.gz SYRNGBYNBHZTBU-KKUMJFAQSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422885008 394848820 /nfs/dbraw/zinc/84/88/20/394848820.db2.gz SYRNGBYNBHZTBU-KKUMJFAQSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422885009 394848926 /nfs/dbraw/zinc/84/89/26/394848926.db2.gz SYRNGBYNBHZTBU-QLFBSQMISA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422885009 394848929 /nfs/dbraw/zinc/84/89/29/394848929.db2.gz SYRNGBYNBHZTBU-QLFBSQMISA-N 2 3 255.450 2.214 20 0 CEADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422913423 394860576 /nfs/dbraw/zinc/86/05/76/394860576.db2.gz QBOJABQYSLCBJJ-IAGOWNOFSA-N 2 3 275.440 2.496 20 0 CEADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422913423 394860580 /nfs/dbraw/zinc/86/05/80/394860580.db2.gz QBOJABQYSLCBJJ-IAGOWNOFSA-N 2 3 275.440 2.496 20 0 CEADHP C(CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475364 394985939 /nfs/dbraw/zinc/98/59/39/394985939.db2.gz ACKIILFVZXKLJL-IRXDYDNUSA-N 2 3 279.472 2.469 20 0 CEADHP C(CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475364 394985941 /nfs/dbraw/zinc/98/59/41/394985941.db2.gz ACKIILFVZXKLJL-IRXDYDNUSA-N 2 3 279.472 2.469 20 0 CEADHP C(CC[NH2+][C@H]1CCN2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475364 394985945 /nfs/dbraw/zinc/98/59/45/394985945.db2.gz ACKIILFVZXKLJL-IRXDYDNUSA-N 2 3 279.472 2.469 20 0 CEADHP [NH3+]CCCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420305460 395309227 /nfs/dbraw/zinc/30/92/27/395309227.db2.gz GJQNWBYKGMLYQN-INIZCTEOSA-N 2 3 275.440 2.227 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000656199687 415633280 /nfs/dbraw/zinc/63/32/80/415633280.db2.gz AXRUKKHETMNFMM-BPKGMFCQSA-N 2 3 279.472 2.227 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422737395 270747162 /nfs/dbraw/zinc/74/71/62/270747162.db2.gz HXQOMIFXLBVCCI-JKSUJKDBSA-N 2 3 267.461 2.216 20 0 CEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422866605 270795079 /nfs/dbraw/zinc/79/50/79/270795079.db2.gz QXEFZDMEZUXQCZ-GVDBMIGSSA-N 2 3 299.503 2.244 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422998855 270815833 /nfs/dbraw/zinc/81/58/33/270815833.db2.gz RFASBHNJVRXEFF-JKSUJKDBSA-N 2 3 269.477 2.462 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000423028102 280999725 /nfs/dbraw/zinc/99/97/25/280999725.db2.gz FWNGSIGJSZWDMW-GJZGRUSLSA-N 2 3 255.450 2.358 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423045848 281007539 /nfs/dbraw/zinc/00/75/39/281007539.db2.gz STKSBHGGYSVORR-CYBMUJFWSA-N 2 3 290.455 2.231 20 0 CEADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CCCC[NH3+])CC2)C1 ZINC000414897194 290505066 /nfs/dbraw/zinc/50/50/66/290505066.db2.gz BGLFDJYJONFFBY-HOCLYGCPSA-N 2 3 267.461 2.358 20 0 CEADHP [NH3+]CCC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415056243 303380659 /nfs/dbraw/zinc/38/06/59/303380659.db2.gz PPVSVJQZNLCXHU-ZBFHGGJFSA-N 2 3 261.413 2.056 20 0 CEADHP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000415056243 303380662 /nfs/dbraw/zinc/38/06/62/303380662.db2.gz PPVSVJQZNLCXHU-ZBFHGGJFSA-N 2 3 261.413 2.056 20 0 CEADHP C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000161135427 627300580 /nfs/dbraw/zinc/30/05/80/627300580.db2.gz YDGPEYBYWZJPBP-IMJJTQAJSA-N 2 3 267.461 2.179 20 0 CEADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000925659463 628371185 /nfs/dbraw/zinc/37/11/85/628371185.db2.gz MXVCGODOHGKMGJ-IKGGRYGDSA-N 2 3 291.483 2.227 20 0 CEADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000841033478 631824236 /nfs/dbraw/zinc/82/42/36/631824236.db2.gz OUAAJVNRCOMHGH-RCCFBDPRSA-N 2 3 287.451 2.198 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458853 635644580 /nfs/dbraw/zinc/64/45/80/635644580.db2.gz HNBRJBCEYQJBSD-QGZVFWFLSA-N 2 3 289.467 2.352 20 0 CEADHP CC(C)(N)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231814 649603635 /nfs/dbraw/zinc/60/36/35/649603635.db2.gz DRFLSBYRECHEQG-HIFRSBDPSA-N 2 3 267.461 2.343 20 0 CEADHP CC(C)(N)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231814 649603638 /nfs/dbraw/zinc/60/36/38/649603638.db2.gz DRFLSBYRECHEQG-HIFRSBDPSA-N 2 3 267.461 2.343 20 0 CEADHP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000873243152 649606899 /nfs/dbraw/zinc/60/68/99/649606899.db2.gz VNXKXBDDOIMSPK-CVEARBPZSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CNC3)CCC[C@H]1C[NH3+] ZINC001206023564 811690368 /nfs/dbraw/zinc/69/03/68/811690368.db2.gz FUZZNJBKERUDOZ-HIFRSBDPSA-N 2 3 273.424 2.097 20 0 CEADHP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CNC3)CCC[C@H]1C[NH3+] ZINC001206023564 811690372 /nfs/dbraw/zinc/69/03/72/811690372.db2.gz FUZZNJBKERUDOZ-HIFRSBDPSA-N 2 3 273.424 2.097 20 0 CEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246226605 813741302 /nfs/dbraw/zinc/74/13/02/813741302.db2.gz AXMAQQXJIHOPSO-ILXRZTDVSA-N 2 3 267.461 2.132 20 0 CEADHP CCC[C@@]1(CN[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246458283 813835870 /nfs/dbraw/zinc/83/58/70/813835870.db2.gz XWWRGPMVGSIWSO-PMPSAXMXSA-N 2 3 265.445 2.031 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NCCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652914 299071463 /nfs/dbraw/zinc/07/14/63/299071463.db2.gz OVIJCUOQIUQPQQ-HZPDHXFCSA-N 2 3 257.381 2.031 20 0 CEADHP CC[NH+]1CCC(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157429671 344446475 /nfs/dbraw/zinc/44/64/75/344446475.db2.gz LMEFQXJEJSWZIP-IAGOWNOFSA-N 2 3 273.424 2.453 20 0 CEADHP C[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000635004681 369040352 /nfs/dbraw/zinc/04/03/52/369040352.db2.gz FXEPQUQOQJQBEJ-MAUKXSAKSA-N 2 3 289.467 2.266 20 0 CEADHP N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008665 369045732 /nfs/dbraw/zinc/04/57/32/369045732.db2.gz GHQAZSWHICNESQ-IRXDYDNUSA-N 2 3 273.424 2.082 20 0 CEADHP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000635011836 369049854 /nfs/dbraw/zinc/04/98/54/369049854.db2.gz PKNMLFKKVRVHIP-WCVJEAGWSA-N 2 3 279.472 2.227 20 0 CEADHP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000635011835 369050430 /nfs/dbraw/zinc/05/04/30/369050430.db2.gz PKNMLFKKVRVHIP-UGUYLWEFSA-N 2 3 279.472 2.227 20 0 CEADHP C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422985932 376904944 /nfs/dbraw/zinc/90/49/44/376904944.db2.gz FZBJZKODLYDTNB-PBHICJAKSA-N 2 3 288.439 2.028 20 0 CEADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422787728 394786158 /nfs/dbraw/zinc/78/61/58/394786158.db2.gz QGFZJSXKOOIVGT-ROUUACIJSA-N 2 3 287.451 2.499 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000422802212 394796769 /nfs/dbraw/zinc/79/67/69/394796769.db2.gz CXVNSIQXTYCVIF-CQSZACIVSA-N 2 3 263.429 2.355 20 0 CEADHP CC(C)C[C@@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415051915 394865241 /nfs/dbraw/zinc/86/52/41/394865241.db2.gz JXOYAGJWNWWUKJ-HZPDHXFCSA-N 2 3 263.429 2.430 20 0 CEADHP NCCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000420316768 395320497 /nfs/dbraw/zinc/32/04/97/395320497.db2.gz NQKRASVMQPZFQB-OAHLLOKOSA-N 2 3 267.461 2.217 20 0 CEADHP NCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000420316768 395320500 /nfs/dbraw/zinc/32/05/00/395320500.db2.gz NQKRASVMQPZFQB-OAHLLOKOSA-N 2 3 267.461 2.217 20 0 CEADHP CN(CC[C@H]1CCC[NH2+]C1)CC[C@H]1CCCC[N@@H+]1C ZINC000420321647 395323867 /nfs/dbraw/zinc/32/38/67/395323867.db2.gz RIWPEZLSZGGYRC-HZPDHXFCSA-N 2 3 267.461 2.182 20 0 CEADHP CN(CC[C@H]1CCC[NH2+]C1)CC[C@H]1CCCC[N@H+]1C ZINC000420321647 395323872 /nfs/dbraw/zinc/32/38/72/395323872.db2.gz RIWPEZLSZGGYRC-HZPDHXFCSA-N 2 3 267.461 2.182 20 0 CEADHP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000647793666 395755703 /nfs/dbraw/zinc/75/57/03/395755703.db2.gz DHAAPVIOPAVSAA-LTIDMASMSA-N 2 3 279.472 2.229 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904111 395770644 /nfs/dbraw/zinc/77/06/44/395770644.db2.gz WYIBANSHLOEGOO-IRXDYDNUSA-N 2 3 279.472 2.230 20 0 CEADHP CCCN1CCC([NH2+]Cc2ccccc2C[NH2+]C)CC1 ZINC000650719344 401010260 /nfs/dbraw/zinc/01/02/60/401010260.db2.gz MVTWYLVHXGMHAM-UHFFFAOYSA-N 2 3 275.440 2.370 20 0 CEADHP C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468043 414962044 /nfs/dbraw/zinc/96/20/44/414962044.db2.gz JYHQXNCAZRLPQA-WBVHZDCISA-N 2 3 293.499 2.428 20 0 CEADHP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C1CNC1 ZINC000422823951 270785239 /nfs/dbraw/zinc/78/52/39/270785239.db2.gz FOMLRNRCJRKILX-ZDUSSCGKSA-N 2 3 293.480 2.158 20 0 CEADHP [NH3+][C@@H]1C[C@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284966 270888877 /nfs/dbraw/zinc/88/88/77/270888877.db2.gz ZBFJQXDKPKZKBR-MAZHCROVSA-N 2 3 259.397 2.111 20 0 CEADHP CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415000419 278341630 /nfs/dbraw/zinc/34/16/30/278341630.db2.gz KFVHNCFRBOTYBM-KGLIPLIRSA-N 2 3 267.461 2.356 20 0 CEADHP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CNC1 ZINC000422907111 280958276 /nfs/dbraw/zinc/95/82/76/280958276.db2.gz WPKGVCWTCFNUOE-HNNXBMFYSA-N 2 3 287.451 2.096 20 0 CEADHP C[C@@H]1C[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716561 297251797 /nfs/dbraw/zinc/25/17/97/297251797.db2.gz WWYBILGDQZMMPL-IXDOHACOSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCCC[C@@H]1C ZINC000336791320 298390535 /nfs/dbraw/zinc/39/05/35/298390535.db2.gz NBHSMYVZLDUROF-CABCVRRESA-N 2 3 255.450 2.358 20 0 CEADHP CCCN1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000566620169 299008982 /nfs/dbraw/zinc/00/89/82/299008982.db2.gz QDWGXPVMDKINKW-UHFFFAOYSA-N 2 3 261.413 2.109 20 0 CEADHP CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000925689469 628500588 /nfs/dbraw/zinc/50/05/88/628500588.db2.gz ABFYVPIYHOXGNJ-HOTGVXAUSA-N 2 3 275.440 2.183 20 0 CEADHP CCCC[N@H+](C)CC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442086 635128191 /nfs/dbraw/zinc/12/81/91/635128191.db2.gz JBRIDJYAXHIXIQ-WBVHZDCISA-N 2 3 281.488 2.286 20 0 CEADHP CCCC[N@@H+](C)CC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442086 635128193 /nfs/dbraw/zinc/12/81/93/635128193.db2.gz JBRIDJYAXHIXIQ-WBVHZDCISA-N 2 3 281.488 2.286 20 0 CEADHP C[N@H+](CC1CC1)C[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911074 635343968 /nfs/dbraw/zinc/34/39/68/635343968.db2.gz WFFOLPIKGMXHIK-CSNJMZFVSA-N 2 3 291.483 2.181 20 0 CEADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911074 635343974 /nfs/dbraw/zinc/34/39/74/635343974.db2.gz WFFOLPIKGMXHIK-CSNJMZFVSA-N 2 3 291.483 2.181 20 0 CEADHP C[N@H+](CC1CC1)C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220612 641228802 /nfs/dbraw/zinc/22/88/02/641228802.db2.gz RMIHUKAMMDIOHM-MRXNPFEDSA-N 2 3 267.461 2.169 20 0 CEADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220612 641228810 /nfs/dbraw/zinc/22/88/10/641228810.db2.gz RMIHUKAMMDIOHM-MRXNPFEDSA-N 2 3 267.461 2.169 20 0 CEADHP CCCC[C@H]1C[C@H]([NH2+]CCCOC2CC[NH2+]CC2)CCN1 ZINC001246112186 813704724 /nfs/dbraw/zinc/70/47/24/813704724.db2.gz DJLXTLIEPFMYAJ-JKSUJKDBSA-N 2 3 297.487 2.046 20 0 CEADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210138 813729591 /nfs/dbraw/zinc/72/95/91/813729591.db2.gz IGHCFQRAKXKMKX-UONOGXRCSA-N 2 3 267.461 2.132 20 0 CEADHP CC(C)(CCN)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246365949 813801090 /nfs/dbraw/zinc/80/10/90/813801090.db2.gz VXDGFGGYPBSLQH-UHFFFAOYSA-N 2 3 253.434 2.016 20 0 CEADHP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728554 297253203 /nfs/dbraw/zinc/25/32/03/297253203.db2.gz CHEFNLHZUDCKGU-ATLSCFEFSA-N 2 3 287.451 2.049 20 0 CEADHP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728554 297253206 /nfs/dbraw/zinc/25/32/06/297253206.db2.gz CHEFNLHZUDCKGU-ATLSCFEFSA-N 2 3 287.451 2.049 20 0 CEADHP CCCN1CC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000151141005 539766438 /nfs/dbraw/zinc/76/64/38/539766438.db2.gz CBDKYHIPVGVWMK-LSDHHAIUSA-N 2 3 267.461 2.038 20 0 CEADHP C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC[NH+](C)CC1 ZINC000682915867 541733413 /nfs/dbraw/zinc/73/34/13/541733413.db2.gz CCDRUMPPLZJKMB-OAHLLOKOSA-N 2 3 281.488 2.428 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166713405 542210933 /nfs/dbraw/zinc/21/09/33/542210933.db2.gz PRXLKULUYORYKI-IAGOWNOFSA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166713405 542210935 /nfs/dbraw/zinc/21/09/35/542210935.db2.gz PRXLKULUYORYKI-IAGOWNOFSA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166713405 542210938 /nfs/dbraw/zinc/21/09/38/542210938.db2.gz PRXLKULUYORYKI-IAGOWNOFSA-N 2 3 279.472 2.325 20 0 CEADHP CCCC[N@H+](C)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346821535 218024430 /nfs/dbraw/zinc/02/44/30/218024430.db2.gz ILALPMMRDXPXGW-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCCC[N@@H+](C)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346821535 218024433 /nfs/dbraw/zinc/02/44/33/218024433.db2.gz ILALPMMRDXPXGW-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346821535 218024435 /nfs/dbraw/zinc/02/44/35/218024435.db2.gz ILALPMMRDXPXGW-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346821535 218024439 /nfs/dbraw/zinc/02/44/39/218024439.db2.gz ILALPMMRDXPXGW-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP C[C@H]([NH2+]CCCN1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000037221321 542279408 /nfs/dbraw/zinc/27/94/08/542279408.db2.gz IXJZFCSGLKBRSO-INIZCTEOSA-N 2 3 281.488 2.428 20 0 CEADHP C[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000423026846 394884852 /nfs/dbraw/zinc/88/48/52/394884852.db2.gz CHLWYGLFPOENQJ-FHERZECASA-N 2 3 267.461 2.358 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423421264 394918152 /nfs/dbraw/zinc/91/81/52/394918152.db2.gz JYLUNGYMJURWCT-BQGCOEIASA-N 2 3 273.424 2.486 20 0 CEADHP CC[NH+](CC)C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315633 395320231 /nfs/dbraw/zinc/32/02/31/395320231.db2.gz LAHKGLYEROORKS-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315633 395320232 /nfs/dbraw/zinc/32/02/32/395320232.db2.gz LAHKGLYEROORKS-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315633 395320236 /nfs/dbraw/zinc/32/02/36/395320236.db2.gz LAHKGLYEROORKS-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CC(C)CC[NH+]1CCC(CN[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647550558 395733646 /nfs/dbraw/zinc/73/36/46/395733646.db2.gz XWFAASGOCOPCCZ-WBVHZDCISA-N 2 3 281.488 2.332 20 0 CEADHP C[N@H+](CC1CC1)C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414006 396148030 /nfs/dbraw/zinc/14/80/30/396148030.db2.gz ATPVUVABVOLFSV-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414006 396148033 /nfs/dbraw/zinc/14/80/33/396148033.db2.gz ATPVUVABVOLFSV-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414006 396148036 /nfs/dbraw/zinc/14/80/36/396148036.db2.gz ATPVUVABVOLFSV-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414006 396148038 /nfs/dbraw/zinc/14/80/38/396148038.db2.gz ATPVUVABVOLFSV-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CN(C)C)CCCC1 ZINC000423037862 281004399 /nfs/dbraw/zinc/00/43/99/281004399.db2.gz NHYHWLIIGCTXNK-HUUCEWRRSA-N 2 3 267.461 2.086 20 0 CEADHP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CN(C)C)CCCC1 ZINC000423037860 281004465 /nfs/dbraw/zinc/00/44/65/281004465.db2.gz NHYHWLIIGCTXNK-CABCVRRESA-N 2 3 267.461 2.086 20 0 CEADHP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(OCCN(C)C)c1 ZINC000423448373 281046471 /nfs/dbraw/zinc/04/64/71/281046471.db2.gz FATIFSRGZIYURY-LSDHHAIUSA-N 2 3 293.455 2.405 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000577274562 314359004 /nfs/dbraw/zinc/35/90/04/314359004.db2.gz OVCMEIOLAWWJTN-GAUCYTDHSA-N 2 3 291.483 2.403 20 0 CEADHP C1=C(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925710651 628558362 /nfs/dbraw/zinc/55/83/62/628558362.db2.gz XTYBTBSRNBYHTL-IAGOWNOFSA-N 2 3 277.456 2.054 20 0 CEADHP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)CN1CCCCC1 ZINC000054243337 630754931 /nfs/dbraw/zinc/75/49/31/630754931.db2.gz CZUYDRQXHGWNHF-OAHLLOKOSA-N 2 3 267.461 2.040 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000903445408 635130635 /nfs/dbraw/zinc/13/06/35/635130635.db2.gz ZSCLTSOITNLVPQ-ARFHVFGLSA-N 2 3 265.445 2.064 20 0 CEADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903482637 635150769 /nfs/dbraw/zinc/15/07/69/635150769.db2.gz NOQBRPIFHQZKJE-FZCLSBEQSA-N 2 3 293.499 2.462 20 0 CEADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416597 635621416 /nfs/dbraw/zinc/62/14/16/635621416.db2.gz PUWVFIRJUJYWMW-DOTOQJQBSA-N 2 3 281.488 2.319 20 0 CEADHP C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329502 643661472 /nfs/dbraw/zinc/66/14/72/643661472.db2.gz UXYIZTLGYBEANO-JRACIQGZSA-N 2 3 291.483 2.371 20 0 CEADHP CCCN1C[C@@H]2C[N@H+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168329590 806657955 /nfs/dbraw/zinc/65/79/55/806657955.db2.gz YHVLWWPDSWRQBJ-RYTJFDOTSA-N 2 3 279.472 2.133 20 0 CEADHP CCCN1C[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168329590 806657958 /nfs/dbraw/zinc/65/79/58/806657958.db2.gz YHVLWWPDSWRQBJ-RYTJFDOTSA-N 2 3 279.472 2.133 20 0 CEADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000693738289 803262636 /nfs/dbraw/zinc/26/26/36/803262636.db2.gz UUYUFYHGIIWHJN-QLFBSQMISA-N 2 3 279.472 2.085 20 0 CEADHP CCCC[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210149 813729525 /nfs/dbraw/zinc/72/95/25/813729525.db2.gz IIRJMTAGCFQLFE-GJZGRUSLSA-N 2 3 267.461 2.277 20 0 CEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210127 813730083 /nfs/dbraw/zinc/73/00/83/813730083.db2.gz IGHCFQRAKXKMKX-KBPBESRZSA-N 2 3 267.461 2.132 20 0 CEADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCN1 ZINC001246363819 813801151 /nfs/dbraw/zinc/80/11/51/813801151.db2.gz FUJRPIHCWNGNLS-YOEHRIQHSA-N 2 3 279.472 2.229 20 0 CEADHP CCCC[C@H]1C[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)CCN1 ZINC001246499372 813869793 /nfs/dbraw/zinc/86/97/93/813869793.db2.gz XPUNUODMVCNUOX-VNQPRFMTSA-N 2 3 267.461 2.275 20 0 CEADHP CC(C)[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C1CNC1 ZINC001246517815 813885826 /nfs/dbraw/zinc/88/58/26/813885826.db2.gz MVBFXIQGNGEDEG-INIZCTEOSA-N 2 3 279.472 2.132 20 0 CEADHP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000564470411 313765678 /nfs/dbraw/zinc/76/56/78/313765678.db2.gz LVLJPHSOXRCWOE-HZPDHXFCSA-N 2 3 261.413 2.108 20 0 CEADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605196 539966493 /nfs/dbraw/zinc/96/64/93/539966493.db2.gz LBHJPBGEGUDDBJ-YYIAUSFCSA-N 2 3 279.472 2.229 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675821596 540876717 /nfs/dbraw/zinc/87/67/17/540876717.db2.gz LCZQIMXWIXWENW-HZPDHXFCSA-N 2 3 281.488 2.427 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010397 369046518 /nfs/dbraw/zinc/04/65/18/369046518.db2.gz ZRCHGUUMYLILDZ-ZBFHGGJFSA-N 2 3 263.429 2.054 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006819 369042829 /nfs/dbraw/zinc/04/28/29/369042829.db2.gz SZIPMPBELACYLI-UBHSHLNASA-N 2 3 276.428 2.017 20 0 CEADHP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC[NH2+]CC1 ZINC000423325337 377257132 /nfs/dbraw/zinc/25/71/32/377257132.db2.gz JLORKRZPYVDFAY-HRCADAONSA-N 2 3 279.472 2.277 20 0 CEADHP C(CN1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420312029 395316650 /nfs/dbraw/zinc/31/66/50/395316650.db2.gz HPIWIOBYSOCBFY-IRXDYDNUSA-N 2 3 279.472 2.326 20 0 CEADHP CC1CCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401002168 414747988 /nfs/dbraw/zinc/74/79/88/414747988.db2.gz BYETULMEDCWAQP-IXDOHACOSA-N 2 3 279.472 2.086 20 0 CEADHP C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815223 415094078 /nfs/dbraw/zinc/09/40/78/415094078.db2.gz NFJAVBJFICVCLD-MSOLQXFVSA-N 2 3 291.483 2.325 20 0 CEADHP C[C@@H]1C[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716560 297252236 /nfs/dbraw/zinc/25/22/36/297252236.db2.gz WWYBILGDQZMMPL-IKGGRYGDSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@@H](N[C@H](c1ccccc1)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000925727781 628647879 /nfs/dbraw/zinc/64/78/79/628647879.db2.gz HXJSLWPSJVLYAH-ZENOOKHLSA-N 2 3 261.413 2.053 20 0 CEADHP CC[NH+](CC)CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734517 635250875 /nfs/dbraw/zinc/25/08/75/635250875.db2.gz ZMHWLVRHLULKPD-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP C([C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCCCC1 ZINC000903899655 635335491 /nfs/dbraw/zinc/33/54/91/635335491.db2.gz VSWLHZXIUOEHHS-OOKSDGMUSA-N 2 3 291.483 2.325 20 0 CEADHP C([C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCCCC1 ZINC000903899655 635335497 /nfs/dbraw/zinc/33/54/97/635335497.db2.gz VSWLHZXIUOEHHS-OOKSDGMUSA-N 2 3 291.483 2.325 20 0 CEADHP C[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000923386938 643692300 /nfs/dbraw/zinc/69/23/00/643692300.db2.gz LKPWQZDJBHGZBT-UCHQMPSGSA-N 2 3 279.472 2.356 20 0 CEADHP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCN ZINC000923386938 643692304 /nfs/dbraw/zinc/69/23/04/643692304.db2.gz LKPWQZDJBHGZBT-UCHQMPSGSA-N 2 3 279.472 2.356 20 0 CEADHP C[C@@H]1CC([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)N1 ZINC001246221997 813738298 /nfs/dbraw/zinc/73/82/98/813738298.db2.gz HHSKPZFGYOMHAT-HGTKMLMNSA-N 2 3 265.445 2.027 20 0 CEADHP CC[NH+]1CCC(CC2CC[NH+](C[C@H](C)N)CC2)CC1 ZINC001236193313 808009539 /nfs/dbraw/zinc/00/95/39/808009539.db2.gz JRSZCVXIESKJIT-AWEZNQCLSA-N 2 3 267.461 2.168 20 0 CEADHP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210145 813730042 /nfs/dbraw/zinc/73/00/42/813730042.db2.gz IGHCFQRAKXKMKX-ZIAGYGMSSA-N 2 3 267.461 2.132 20 0 CEADHP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246501519 813874310 /nfs/dbraw/zinc/87/43/10/813874310.db2.gz AORQMYGXFKACPG-VGWMRTNUSA-N 2 3 267.461 2.370 20 0 CEADHP CC[C@@H]1C[C@@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246659886 814250845 /nfs/dbraw/zinc/25/08/45/814250845.db2.gz ZAXHPXXVQROXQQ-IXDOHACOSA-N 2 3 279.472 2.371 20 0 CEADHP CC[C@@H]1C[C@@H]([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246659886 814250852 /nfs/dbraw/zinc/25/08/52/814250852.db2.gz ZAXHPXXVQROXQQ-IXDOHACOSA-N 2 3 279.472 2.371 20 0 CEADHP C[C@H]1C[C@H](CN2CCC([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000235696645 291122862 /nfs/dbraw/zinc/12/28/62/291122862.db2.gz NWDOQGNKJNCRQO-JKSUJKDBSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@H]1C[C@H](C[NH+]2CCC(N3CCCCC3)CC2)CC[NH2+]1 ZINC000235696645 291122864 /nfs/dbraw/zinc/12/28/64/291122864.db2.gz NWDOQGNKJNCRQO-JKSUJKDBSA-N 2 3 279.472 2.325 20 0 CEADHP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058283 367136987 /nfs/dbraw/zinc/13/69/87/367136987.db2.gz PICDVGLFKBEBBE-QZTJIDSGSA-N 2 3 299.462 2.154 20 0 CEADHP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058283 367136989 /nfs/dbraw/zinc/13/69/89/367136989.db2.gz PICDVGLFKBEBBE-QZTJIDSGSA-N 2 3 299.462 2.154 20 0 CEADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359212902 371378068 /nfs/dbraw/zinc/37/80/68/371378068.db2.gz NXBRUKZXEHUYFQ-KRWDZBQOSA-N 2 3 279.472 2.040 20 0 CEADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359212902 371378074 /nfs/dbraw/zinc/37/80/74/371378074.db2.gz NXBRUKZXEHUYFQ-KRWDZBQOSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212902 371378078 /nfs/dbraw/zinc/37/80/78/371378078.db2.gz NXBRUKZXEHUYFQ-KRWDZBQOSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212902 371378083 /nfs/dbraw/zinc/37/80/83/371378083.db2.gz NXBRUKZXEHUYFQ-KRWDZBQOSA-N 2 3 279.472 2.040 20 0 CEADHP CC[NH+](CC)CCCC1CCN(CCC[NH3+])CC1 ZINC000414710593 375935086 /nfs/dbraw/zinc/93/50/86/375935086.db2.gz LNPUHPJPAUNBFE-UHFFFAOYSA-N 2 3 255.450 2.169 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422737392 394748663 /nfs/dbraw/zinc/74/86/63/394748663.db2.gz HXQOMIFXLBVCCI-CVEARBPZSA-N 2 3 267.461 2.216 20 0 CEADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422698418 394725302 /nfs/dbraw/zinc/72/53/02/394725302.db2.gz ZFHNGVASIUSIRS-DLBZAZTESA-N 2 3 275.440 2.498 20 0 CEADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422879703 394845594 /nfs/dbraw/zinc/84/55/94/394845594.db2.gz KTLVQRAYDSJQBI-OAGGEKHMSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422879703 394845597 /nfs/dbraw/zinc/84/55/97/394845597.db2.gz KTLVQRAYDSJQBI-OAGGEKHMSA-N 2 3 267.461 2.358 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423421265 394918042 /nfs/dbraw/zinc/91/80/42/394918042.db2.gz JYLUNGYMJURWCT-KFZJALRRSA-N 2 3 273.424 2.486 20 0 CEADHP CCN(CC)CCC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000420307824 395313207 /nfs/dbraw/zinc/31/32/07/395313207.db2.gz MSQFOCDMBOSDJZ-UHFFFAOYSA-N 2 3 255.450 2.040 20 0 CEADHP CC(C)N1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000567870966 395537823 /nfs/dbraw/zinc/53/78/23/395537823.db2.gz BXONNPWVTRAINF-UHFFFAOYSA-N 2 3 261.413 2.108 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000650761974 401036745 /nfs/dbraw/zinc/03/67/45/401036745.db2.gz OUFOAEYYHLOURW-ZACQAIPSSA-N 2 3 279.472 2.277 20 0 CEADHP C[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652355614 401493108 /nfs/dbraw/zinc/49/31/08/401493108.db2.gz BCDLGGFZFOLHNO-GOEBONIOSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1CCN ZINC000652355614 401493110 /nfs/dbraw/zinc/49/31/10/401493110.db2.gz BCDLGGFZFOLHNO-GOEBONIOSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN1CCCCC1 ZINC000038041940 174044514 /nfs/dbraw/zinc/04/45/14/174044514.db2.gz ZBPANPOVQCTYEG-HOTGVXAUSA-N 2 3 281.488 2.428 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000576129670 314246002 /nfs/dbraw/zinc/24/60/02/314246002.db2.gz YEZIWMAYUCLKRC-MRXNPFEDSA-N 2 3 269.477 2.412 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576129670 314246005 /nfs/dbraw/zinc/24/60/05/314246005.db2.gz YEZIWMAYUCLKRC-MRXNPFEDSA-N 2 3 269.477 2.412 20 0 CEADHP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC000902358202 634615102 /nfs/dbraw/zinc/61/51/02/634615102.db2.gz BPSCDMKJVCMCNL-OAHLLOKOSA-N 2 3 279.472 2.371 20 0 CEADHP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925659465 628371453 /nfs/dbraw/zinc/37/14/53/628371453.db2.gz MXVCGODOHGKMGJ-IXDOHACOSA-N 2 3 291.483 2.227 20 0 CEADHP C[C@@H]([NH3+])[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724845 628626710 /nfs/dbraw/zinc/62/67/10/628626710.db2.gz DZAHCMOIWIMNOU-RRCSTGOVSA-N 2 3 261.413 2.182 20 0 CEADHP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925861803 628961734 /nfs/dbraw/zinc/96/17/34/628961734.db2.gz SSICTSDRVIFHEO-PCKAHOCUSA-N 2 3 277.456 2.268 20 0 CEADHP C[C@H]1CCC[C@@H](N2CCC([NH2+][C@H]3C[C@H](C[NH3+])C3)CC2)C1 ZINC000902488714 634703936 /nfs/dbraw/zinc/70/39/36/634703936.db2.gz MTHNWXNATYBCDB-NXNVCVFFSA-N 2 3 279.472 2.356 20 0 CEADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416600 635621320 /nfs/dbraw/zinc/62/13/20/635621320.db2.gz PUWVFIRJUJYWMW-WBVHZDCISA-N 2 3 281.488 2.319 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344346 640396273 /nfs/dbraw/zinc/39/62/73/640396273.db2.gz WROMCTDLERSUSL-GFCCVEGCSA-N 2 3 264.417 2.018 20 0 CEADHP CCC[N@H+](C)C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220494 641229507 /nfs/dbraw/zinc/22/95/07/641229507.db2.gz QZZFOJNFQUYDKT-HNNXBMFYSA-N 2 3 255.450 2.169 20 0 CEADHP CCC[N@@H+](C)C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220494 641229510 /nfs/dbraw/zinc/22/95/10/641229510.db2.gz QZZFOJNFQUYDKT-HNNXBMFYSA-N 2 3 255.450 2.169 20 0 CEADHP C[NH+](C)C1CCC([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000715570770 814980081 /nfs/dbraw/zinc/98/00/81/814980081.db2.gz FZOADRISFOTPPQ-MTERUZRBSA-N 2 3 279.472 2.225 20 0 CEADHP [NH3+]CC1CCN([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246541096 813956541 /nfs/dbraw/zinc/95/65/41/813956541.db2.gz YICWWKBGEIWBNO-OAHLLOKOSA-N 2 3 265.445 2.112 20 0 CEADHP CC[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)C[C@H](CC)N1 ZINC001246682791 814255605 /nfs/dbraw/zinc/25/56/05/814255605.db2.gz WPSVJPKLJLBRGN-ZSHCYNCHSA-N 2 3 267.461 2.227 20 0 CEADHP CC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C[C@H](CC)N1 ZINC001246682791 814255610 /nfs/dbraw/zinc/25/56/10/814255610.db2.gz WPSVJPKLJLBRGN-ZSHCYNCHSA-N 2 3 267.461 2.227 20 0 CEADHP CCCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000249982977 283320902 /nfs/dbraw/zinc/32/09/02/283320902.db2.gz MIVZAMOMSVHZIZ-BRWVUGGUSA-N 2 3 279.472 2.371 20 0 CEADHP C(C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215142 371378712 /nfs/dbraw/zinc/37/87/12/371378712.db2.gz QOGPXBUAUYDAAY-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP C(C[N@H+]1CC[C@@H](CN2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215142 371378716 /nfs/dbraw/zinc/37/87/16/371378716.db2.gz QOGPXBUAUYDAAY-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215142 371378720 /nfs/dbraw/zinc/37/87/20/371378720.db2.gz QOGPXBUAUYDAAY-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP C[N@@H+](Cc1ccccc1)CC1CCN(CCC[NH3+])CC1 ZINC000414690899 375920555 /nfs/dbraw/zinc/92/05/55/375920555.db2.gz ITQIOXJTGDNABL-UHFFFAOYSA-N 2 3 275.440 2.179 20 0 CEADHP C[N@H+](Cc1ccccc1)CC1CCN(CCC[NH3+])CC1 ZINC000414690899 375920558 /nfs/dbraw/zinc/92/05/58/375920558.db2.gz ITQIOXJTGDNABL-UHFFFAOYSA-N 2 3 275.440 2.179 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000423295633 377225366 /nfs/dbraw/zinc/22/53/66/377225366.db2.gz XDEPVKRAZYIJHN-XEZPLFJOSA-N 2 3 261.413 2.136 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000423295633 377225372 /nfs/dbraw/zinc/22/53/72/377225372.db2.gz XDEPVKRAZYIJHN-XEZPLFJOSA-N 2 3 261.413 2.136 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093209800 394664076 /nfs/dbraw/zinc/66/40/76/394664076.db2.gz OOBYWQUSYNGTFT-SOUVJXGZSA-N 2 3 255.450 2.356 20 0 CEADHP CC[NH+](CC)CCC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422736760 394748443 /nfs/dbraw/zinc/74/84/43/394748443.db2.gz WODUXRCTZOBTQE-JZWPEALZSA-N 2 3 267.461 2.370 20 0 CEADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719754 394739548 /nfs/dbraw/zinc/73/95/48/394739548.db2.gz RFKBNLJVFMAWLU-HOTGVXAUSA-N 2 3 267.461 2.360 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709781 394749434 /nfs/dbraw/zinc/74/94/34/394749434.db2.gz QBICPCLWFIJTCQ-OAGGEKHMSA-N 2 3 267.461 2.038 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709781 394749439 /nfs/dbraw/zinc/74/94/39/394749439.db2.gz QBICPCLWFIJTCQ-OAGGEKHMSA-N 2 3 267.461 2.038 20 0 CEADHP CC[NH+]1CCC(CCN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422779284 394778480 /nfs/dbraw/zinc/77/84/80/394778480.db2.gz FSMSAEZPMAHZOW-GOEBONIOSA-N 2 3 267.461 2.229 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709783 394749914 /nfs/dbraw/zinc/74/99/14/394749914.db2.gz QBICPCLWFIJTCQ-XHSDSOJGSA-N 2 3 267.461 2.038 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709783 394749919 /nfs/dbraw/zinc/74/99/19/394749919.db2.gz QBICPCLWFIJTCQ-XHSDSOJGSA-N 2 3 267.461 2.038 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422874934 394843874 /nfs/dbraw/zinc/84/38/74/394843874.db2.gz DQDWGLOPRUMSHW-KKUMJFAQSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422874934 394843875 /nfs/dbraw/zinc/84/38/75/394843875.db2.gz DQDWGLOPRUMSHW-KKUMJFAQSA-N 2 3 255.450 2.356 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423421267 394918169 /nfs/dbraw/zinc/91/81/69/394918169.db2.gz JYLUNGYMJURWCT-PYTWLRIVSA-N 2 3 273.424 2.486 20 0 CEADHP C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887487 395501386 /nfs/dbraw/zinc/50/13/86/395501386.db2.gz ULOPPJUYSOHRGA-WBVHZDCISA-N 2 3 277.456 2.077 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000647987767 395796603 /nfs/dbraw/zinc/79/66/03/395796603.db2.gz YEXWVFODCNSCSD-SJORKVTESA-N 2 3 279.472 2.230 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NCCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762179 401038061 /nfs/dbraw/zinc/03/80/61/401038061.db2.gz VZSZZMAFTPSGFF-HZPDHXFCSA-N 2 3 259.397 2.111 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363505 401495362 /nfs/dbraw/zinc/49/53/62/401495362.db2.gz GPFJQUIOSOQRCF-BBWFWOEESA-N 2 3 297.487 2.079 20 0 CEADHP CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363505 401495366 /nfs/dbraw/zinc/49/53/66/401495366.db2.gz GPFJQUIOSOQRCF-BBWFWOEESA-N 2 3 297.487 2.079 20 0 CEADHP C[C@H](NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000665299428 415687714 /nfs/dbraw/zinc/68/77/14/415687714.db2.gz MSQLUPGXVJSYBF-WMLDXEAASA-N 2 3 279.472 2.229 20 0 CEADHP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN1CCCC1 ZINC000062078334 538750446 /nfs/dbraw/zinc/75/04/46/538750446.db2.gz KVFPKGISALNHOL-CABCVRRESA-N 2 3 267.461 2.038 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925703925 628547127 /nfs/dbraw/zinc/54/71/27/628547127.db2.gz WEWKDTDKFFZNLU-SJORKVTESA-N 2 3 279.472 2.134 20 0 CEADHP C[C@H]([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727539 628646652 /nfs/dbraw/zinc/64/66/52/628646652.db2.gz HLBUMCHAFXTFGB-XKQJLSEDSA-N 2 3 279.472 2.132 20 0 CEADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000841033477 631825690 /nfs/dbraw/zinc/82/56/90/631825690.db2.gz OUAAJVNRCOMHGH-OKZBNKHCSA-N 2 3 287.451 2.198 20 0 CEADHP CN1CCC2(CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903909657 635344991 /nfs/dbraw/zinc/34/49/91/635344991.db2.gz WMSZJJRQFYEJIK-MQVJKMGUSA-N 2 3 277.456 2.077 20 0 CEADHP CN1CCC2(CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903909657 635344997 /nfs/dbraw/zinc/34/49/97/635344997.db2.gz WMSZJJRQFYEJIK-MQVJKMGUSA-N 2 3 277.456 2.077 20 0 CEADHP CC[NH+](CC)C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220215 641229252 /nfs/dbraw/zinc/22/92/52/641229252.db2.gz KYYCAAUBZHLFHL-HNNXBMFYSA-N 2 3 255.450 2.169 20 0 CEADHP [NH3+][C@H]1C[C@@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262328 649615817 /nfs/dbraw/zinc/61/58/17/649615817.db2.gz WYECVHSIVMEISH-LKFLVWNSSA-N 2 3 271.408 2.251 20 0 CEADHP CC[C@@H]1C[C@@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246799417 814261136 /nfs/dbraw/zinc/26/11/36/814261136.db2.gz ZDERLPMSLULBRI-SJORKVTESA-N 2 3 279.472 2.229 20 0 CEADHP CC[C@@H]1C[C@@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246799417 814261140 /nfs/dbraw/zinc/26/11/40/814261140.db2.gz ZDERLPMSLULBRI-SJORKVTESA-N 2 3 279.472 2.229 20 0 CEADHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000715544901 814974840 /nfs/dbraw/zinc/97/48/40/814974840.db2.gz UZIZBXRNJJCGCW-YHNBSYBMSA-N 2 3 267.461 2.356 20 0 CEADHP CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715216678 807743694 /nfs/dbraw/zinc/74/36/94/807743694.db2.gz CKCHRSMTBTYSEB-BHDPWAOGSA-N 2 3 267.461 2.322 20 0 CEADHP C[C@@H]1C[C@@H]([NH2+]CCCCCCCC[NH3+])C[C@H](C)N1 ZINC001246081081 813673813 /nfs/dbraw/zinc/67/38/13/813673813.db2.gz QYFZEEHRMWVCKV-QDMKHBRRSA-N 2 3 255.450 2.404 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000093516153 364195754 /nfs/dbraw/zinc/19/57/54/364195754.db2.gz HXSNPIHVXRZECA-OWCLPIDISA-N 2 3 267.461 2.229 20 0 CEADHP C[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000635004683 369040523 /nfs/dbraw/zinc/04/05/23/369040523.db2.gz FXEPQUQOQJQBEJ-QAPCUYQASA-N 2 3 289.467 2.266 20 0 CEADHP CN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000635011833 369049536 /nfs/dbraw/zinc/04/95/36/369049536.db2.gz PKNMLFKKVRVHIP-LVQVYYBASA-N 2 3 279.472 2.227 20 0 CEADHP C(C[N@@H+]1CC[C@H](CN2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215143 371378194 /nfs/dbraw/zinc/37/81/94/371378194.db2.gz QOGPXBUAUYDAAY-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP C(C[N@H+]1CC[C@H](CN2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215143 371378203 /nfs/dbraw/zinc/37/82/03/371378203.db2.gz QOGPXBUAUYDAAY-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215143 371378209 /nfs/dbraw/zinc/37/82/09/371378209.db2.gz QOGPXBUAUYDAAY-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423292911 377221398 /nfs/dbraw/zinc/22/13/98/377221398.db2.gz OXWWVIXIHQBHHQ-MAZHCROVSA-N 2 3 261.413 2.313 20 0 CEADHP C[C@@H]([NH2+]CCCN1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000037221322 542279201 /nfs/dbraw/zinc/27/92/01/542279201.db2.gz IXJZFCSGLKBRSO-MRXNPFEDSA-N 2 3 281.488 2.428 20 0 CEADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422708096 394730609 /nfs/dbraw/zinc/73/06/09/394730609.db2.gz BKSNJQVCHDKYCJ-CABCVRRESA-N 2 3 293.455 2.233 20 0 CEADHP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000422777999 394777337 /nfs/dbraw/zinc/77/73/37/394777337.db2.gz DHMHIAVUGZYFCR-SJLPKXTDSA-N 2 3 289.467 2.486 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422882635 394847814 /nfs/dbraw/zinc/84/78/14/394847814.db2.gz PIAWPPIMUCMPGP-YYIAUSFCSA-N 2 3 281.488 2.462 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422882635 394847816 /nfs/dbraw/zinc/84/78/16/394847816.db2.gz PIAWPPIMUCMPGP-YYIAUSFCSA-N 2 3 281.488 2.462 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323047 395326170 /nfs/dbraw/zinc/32/61/70/395326170.db2.gz TUQBOUFVZHXQIU-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323047 395326171 /nfs/dbraw/zinc/32/61/71/395326171.db2.gz TUQBOUFVZHXQIU-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323047 395326172 /nfs/dbraw/zinc/32/61/72/395326172.db2.gz TUQBOUFVZHXQIU-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323047 395326173 /nfs/dbraw/zinc/32/61/73/395326173.db2.gz TUQBOUFVZHXQIU-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992981 395798474 /nfs/dbraw/zinc/79/84/74/395798474.db2.gz WOEIOZUIQZVIDW-FMKPAKJESA-N 2 3 267.461 2.071 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992981 395798477 /nfs/dbraw/zinc/79/84/77/395798477.db2.gz WOEIOZUIQZVIDW-FMKPAKJESA-N 2 3 267.461 2.071 20 0 CEADHP CCN(CC)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037209984 173031223 /nfs/dbraw/zinc/03/12/23/173031223.db2.gz DMIIOHBOOFLDPF-AWEZNQCLSA-N 2 3 255.450 2.038 20 0 CEADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423138493 270847465 /nfs/dbraw/zinc/84/74/65/270847465.db2.gz SYZWLEATXIWTSQ-JKSUJKDBSA-N 2 3 267.461 2.360 20 0 CEADHP C[C@H]([NH2+]CCCC[NH3+])c1cccc(OCCN(C)C)c1 ZINC000423344467 270901601 /nfs/dbraw/zinc/90/16/01/270901601.db2.gz WVZCEQVGBRIYMY-AWEZNQCLSA-N 2 3 279.428 2.017 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+]C1CCN(C2CCCC2)CC1 ZINC000422839475 280933014 /nfs/dbraw/zinc/93/30/14/280933014.db2.gz QEJSJOFSWGEKLN-CYBMUJFWSA-N 2 3 253.434 2.110 20 0 CEADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713524 297253271 /nfs/dbraw/zinc/25/32/71/297253271.db2.gz WBFDJPJBALXQBW-IKGGRYGDSA-N 2 3 279.472 2.182 20 0 CEADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713524 297253273 /nfs/dbraw/zinc/25/32/73/297253273.db2.gz WBFDJPJBALXQBW-IKGGRYGDSA-N 2 3 279.472 2.182 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000581022165 322363154 /nfs/dbraw/zinc/36/31/54/322363154.db2.gz MSPSJYYIPUQNIN-HZPDHXFCSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H]1CCCCN1CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239768 630695626 /nfs/dbraw/zinc/69/56/26/630695626.db2.gz CNWWDPLHMUEOHS-HNNXBMFYSA-N 2 3 267.461 2.182 20 0 CEADHP CCCN(C)C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896285 635332805 /nfs/dbraw/zinc/33/28/05/635332805.db2.gz AEUXVZJEQHYYBS-MGNMYUMUSA-N 2 3 279.472 2.181 20 0 CEADHP CCCN(C)C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896285 635332812 /nfs/dbraw/zinc/33/28/12/635332812.db2.gz AEUXVZJEQHYYBS-MGNMYUMUSA-N 2 3 279.472 2.181 20 0 CEADHP CCC[N@H+](C)C[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896285 635332818 /nfs/dbraw/zinc/33/28/18/635332818.db2.gz AEUXVZJEQHYYBS-MGNMYUMUSA-N 2 3 279.472 2.181 20 0 CEADHP CCC[N@@H+](C)C[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896285 635332825 /nfs/dbraw/zinc/33/28/25/635332825.db2.gz AEUXVZJEQHYYBS-MGNMYUMUSA-N 2 3 279.472 2.181 20 0 CEADHP CC1([NH+]2CCCC2)CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903934467 635359667 /nfs/dbraw/zinc/35/96/67/635359667.db2.gz IBPJBOYZZKUFHW-ALOPSCKCSA-N 2 3 291.483 2.467 20 0 CEADHP C[C@@]1(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC000904416724 635621553 /nfs/dbraw/zinc/62/15/53/635621553.db2.gz QKABLFDUJVRQSY-SJLPKXTDSA-N 2 3 293.499 2.478 20 0 CEADHP CC(C)[C@H](CN)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904457155 635643100 /nfs/dbraw/zinc/64/31/00/635643100.db2.gz NWDGVQKCCOWKKQ-MRXNPFEDSA-N 2 3 289.467 2.210 20 0 CEADHP CC(C)[C@H](C[NH3+])CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904457155 635643107 /nfs/dbraw/zinc/64/31/07/635643107.db2.gz NWDGVQKCCOWKKQ-MRXNPFEDSA-N 2 3 289.467 2.210 20 0 CEADHP C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329500 643660862 /nfs/dbraw/zinc/66/08/62/643660862.db2.gz UXYIZTLGYBEANO-GPQQEZGISA-N 2 3 291.483 2.371 20 0 CEADHP CC(C)[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246800203 814260923 /nfs/dbraw/zinc/26/09/23/814260923.db2.gz WLFZELHJKLNAJX-HOTGVXAUSA-N 2 3 267.461 2.085 20 0 CEADHP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246800203 814260929 /nfs/dbraw/zinc/26/09/29/814260929.db2.gz WLFZELHJKLNAJX-HOTGVXAUSA-N 2 3 267.461 2.085 20 0 CEADHP C[C@@H]1C[C@@H](N2CCC[C@@]23CCC[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC001246607990 814208184 /nfs/dbraw/zinc/20/81/84/814208184.db2.gz SDVGAELRQCXUKX-QKPAOTATSA-N 2 3 265.445 2.124 20 0 CEADHP CC[NH+]1CCC(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157429829 344446930 /nfs/dbraw/zinc/44/69/30/344446930.db2.gz LMEFQXJEJSWZIP-SJORKVTESA-N 2 3 273.424 2.453 20 0 CEADHP CCC1([NH+](C)C)CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000635001639 369037333 /nfs/dbraw/zinc/03/73/33/369037333.db2.gz XDEZZKHVOGMJAP-GJZGRUSLSA-N 2 3 267.461 2.181 20 0 CEADHP CCC1(N(C)C)CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000635001639 369037338 /nfs/dbraw/zinc/03/73/38/369037338.db2.gz XDEZZKHVOGMJAP-GJZGRUSLSA-N 2 3 267.461 2.181 20 0 CEADHP CN(CCC1CC[NH2+]CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000234266298 370531286 /nfs/dbraw/zinc/53/12/86/370531286.db2.gz RPLXHLFDORGVKC-MRXNPFEDSA-N 2 3 267.461 2.182 20 0 CEADHP CN(CCC1CC[NH2+]CC1)CC[C@H]1CCCC[N@H+]1C ZINC000234266298 370531291 /nfs/dbraw/zinc/53/12/91/370531291.db2.gz RPLXHLFDORGVKC-MRXNPFEDSA-N 2 3 267.461 2.182 20 0 CEADHP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423272336 377191553 /nfs/dbraw/zinc/19/15/53/377191553.db2.gz JXBXTQORDDSGIT-TWMKSMIVSA-N 2 3 279.472 2.277 20 0 CEADHP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000414899329 394795068 /nfs/dbraw/zinc/79/50/68/394795068.db2.gz FLHYRWTWJOEHMT-FGTMMUONSA-N 2 3 287.451 2.226 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCNC2)CC1 ZINC000415086744 394883941 /nfs/dbraw/zinc/88/39/41/394883941.db2.gz SQJYRTINHOSZNE-QGZVFWFLSA-N 2 3 281.488 2.334 20 0 CEADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422913425 394861150 /nfs/dbraw/zinc/86/11/50/394861150.db2.gz QBOJABQYSLCBJJ-SJORKVTESA-N 2 3 275.440 2.496 20 0 CEADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422913425 394861152 /nfs/dbraw/zinc/86/11/52/394861152.db2.gz QBOJABQYSLCBJJ-SJORKVTESA-N 2 3 275.440 2.496 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423420547 394917666 /nfs/dbraw/zinc/91/76/66/394917666.db2.gz BNOSIPFMHJJBHI-FXUDXRNXSA-N 2 3 267.461 2.404 20 0 CEADHP C(C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326825 395329880 /nfs/dbraw/zinc/32/98/80/395329880.db2.gz XSIPSSQJITWUJG-IRXDYDNUSA-N 2 3 279.472 2.184 20 0 CEADHP C(C[N@H+]1CC[C@@H](CN2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326825 395329884 /nfs/dbraw/zinc/32/98/84/395329884.db2.gz XSIPSSQJITWUJG-IRXDYDNUSA-N 2 3 279.472 2.184 20 0 CEADHP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326825 395329888 /nfs/dbraw/zinc/32/98/88/395329888.db2.gz XSIPSSQJITWUJG-IRXDYDNUSA-N 2 3 279.472 2.184 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786400 395754216 /nfs/dbraw/zinc/75/42/16/395754216.db2.gz OIXOGQOJPNBTLV-WCXIOVBPSA-N 2 3 279.472 2.085 20 0 CEADHP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000250363842 289112019 /nfs/dbraw/zinc/11/20/19/289112019.db2.gz WCVHKUSEGUIVJN-ARFHVFGLSA-N 2 3 267.461 2.229 20 0 CEADHP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000333886620 295325751 /nfs/dbraw/zinc/32/57/51/295325751.db2.gz XIMUGYJFJXGUCZ-USXSHJJOSA-N 2 3 271.408 2.109 20 0 CEADHP CCN(CC)CCC[N@H+](CC)CC1CC[NH+](C)CC1 ZINC000894472382 629476840 /nfs/dbraw/zinc/47/68/40/629476840.db2.gz KQPYUWWUJNTQDN-UHFFFAOYSA-N 2 3 269.477 2.382 20 0 CEADHP CCN(CC)CCC[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000894472382 629476842 /nfs/dbraw/zinc/47/68/42/629476842.db2.gz KQPYUWWUJNTQDN-UHFFFAOYSA-N 2 3 269.477 2.382 20 0 CEADHP C[C@]1(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350309 635584005 /nfs/dbraw/zinc/58/40/05/635584005.db2.gz KRBYMYLSYQASSB-ULQDDVLXSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350309 635584009 /nfs/dbraw/zinc/58/40/09/635584009.db2.gz KRBYMYLSYQASSB-ULQDDVLXSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350307 635584053 /nfs/dbraw/zinc/58/40/53/635584053.db2.gz KRBYMYLSYQASSB-BBWFWOEESA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350307 635584058 /nfs/dbraw/zinc/58/40/58/635584058.db2.gz KRBYMYLSYQASSB-BBWFWOEESA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000904416929 635621398 /nfs/dbraw/zinc/62/13/98/635621398.db2.gz UIOQIQGQZWMYDO-RDJZCZTQSA-N 2 3 279.472 2.088 20 0 CEADHP [NH3+]CCCCCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843363299 640405850 /nfs/dbraw/zinc/40/58/50/640405850.db2.gz VSFPTFCNBUPJAF-CVEARBPZSA-N 2 3 267.461 2.360 20 0 CEADHP [NH3+]CCCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000846220816 641229651 /nfs/dbraw/zinc/22/96/51/641229651.db2.gz VKPCXEBOORZQIH-MRXNPFEDSA-N 2 3 267.461 2.456 20 0 CEADHP [NH3+][C@H](C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156028 649299072 /nfs/dbraw/zinc/29/90/72/649299072.db2.gz CTZKGQCCNJKNEZ-YQQAZPJKSA-N 2 3 279.472 2.216 20 0 CEADHP [NH3+]Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168362694 806740134 /nfs/dbraw/zinc/74/01/34/806740134.db2.gz CDBBPEVTDWHCAW-UHFFFAOYSA-N 2 3 273.424 2.109 20 0 CEADHP C[C@@H]1C[N@H+](Cc2cc3c(s2)CNCC3)CCC[C@H]1C[NH3+] ZINC001206014834 811605817 /nfs/dbraw/zinc/60/58/17/811605817.db2.gz YGRXRWYVTKVTRC-OCCSQVGLSA-N 2 3 293.480 2.201 20 0 CEADHP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CNCC3)CCC[C@H]1C[NH3+] ZINC001206014834 811605820 /nfs/dbraw/zinc/60/58/20/811605820.db2.gz YGRXRWYVTKVTRC-OCCSQVGLSA-N 2 3 293.480 2.201 20 0 CEADHP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246580134 814150280 /nfs/dbraw/zinc/15/02/80/814150280.db2.gz VZABQMFDLKLFIG-OWCLPIDISA-N 2 3 267.461 2.214 20 0 CEADHP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246580134 814150281 /nfs/dbraw/zinc/15/02/81/814150281.db2.gz VZABQMFDLKLFIG-OWCLPIDISA-N 2 3 267.461 2.214 20 0 CEADHP CC[C@@H]1C[C@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246659887 814250192 /nfs/dbraw/zinc/25/01/92/814250192.db2.gz ZAXHPXXVQROXQQ-ZACQAIPSSA-N 2 3 279.472 2.371 20 0 CEADHP CC[C@@H]1C[C@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246659887 814250199 /nfs/dbraw/zinc/25/01/99/814250199.db2.gz ZAXHPXXVQROXQQ-ZACQAIPSSA-N 2 3 279.472 2.371 20 0 CEADHP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000564470412 377396063 /nfs/dbraw/zinc/39/60/63/377396063.db2.gz LVLJPHSOXRCWOE-JKSUJKDBSA-N 2 3 261.413 2.108 20 0 CEADHP CCCC[N@H+](C)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346821536 218025356 /nfs/dbraw/zinc/02/53/56/218025356.db2.gz ILALPMMRDXPXGW-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCCC[N@@H+](C)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346821536 218025358 /nfs/dbraw/zinc/02/53/58/218025358.db2.gz ILALPMMRDXPXGW-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346821536 218025360 /nfs/dbraw/zinc/02/53/60/218025360.db2.gz ILALPMMRDXPXGW-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346821536 218025362 /nfs/dbraw/zinc/02/53/62/218025362.db2.gz ILALPMMRDXPXGW-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP C[NH+](C)CCCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346984802 218079101 /nfs/dbraw/zinc/07/91/01/218079101.db2.gz QYDZOKRVAXXCJQ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346984802 218079102 /nfs/dbraw/zinc/07/91/02/218079102.db2.gz QYDZOKRVAXXCJQ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422742845 394752991 /nfs/dbraw/zinc/75/29/91/394752991.db2.gz QUBTXORFMMJPMG-ZDUSSCGKSA-N 2 3 290.455 2.231 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422786989 394784798 /nfs/dbraw/zinc/78/47/98/394784798.db2.gz POVXXJFKCQEMCP-JKSUJKDBSA-N 2 3 267.461 2.216 20 0 CEADHP N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794162 394791096 /nfs/dbraw/zinc/79/10/96/394791096.db2.gz YIIYBHQATIDRBN-IRXDYDNUSA-N 2 3 273.424 2.252 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876594 394844898 /nfs/dbraw/zinc/84/48/98/394844898.db2.gz GLFGXOZQWGSDAN-XUWVNRHRSA-N 2 3 269.477 2.460 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876594 394844899 /nfs/dbraw/zinc/84/48/99/394844899.db2.gz GLFGXOZQWGSDAN-XUWVNRHRSA-N 2 3 269.477 2.460 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422886097 394850480 /nfs/dbraw/zinc/85/04/80/394850480.db2.gz WBRSWVBJJHROFQ-DLBZAZTESA-N 2 3 281.488 2.476 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423533873 394947140 /nfs/dbraw/zinc/94/71/40/394947140.db2.gz ZAPIZNMGEATPLB-XXXXFFMBSA-N 2 3 279.472 2.247 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414982114 278341402 /nfs/dbraw/zinc/34/14/02/278341402.db2.gz YKKPXFWXTZCZMI-AWEZNQCLSA-N 2 3 267.461 2.371 20 0 CEADHP C[C@@H](NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423135314 281018447 /nfs/dbraw/zinc/01/84/47/281018447.db2.gz NNESEYVLSKMNGR-CVEARBPZSA-N 2 3 267.461 2.373 20 0 CEADHP C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727253 628645118 /nfs/dbraw/zinc/64/51/18/628645118.db2.gz OCVPXKGLUQWHQU-ITWBUVANSA-N 2 3 291.483 2.275 20 0 CEADHP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)C1CNC1 ZINC000817914827 633773174 /nfs/dbraw/zinc/77/31/74/633773174.db2.gz ZEBFGUYPKNCOJC-HNNXBMFYSA-N 2 3 267.461 2.230 20 0 CEADHP CC(C)[N@H+](C)CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903735444 635251681 /nfs/dbraw/zinc/25/16/81/635251681.db2.gz ACKWUXUKZGPZFX-QGZVFWFLSA-N 2 3 281.488 2.428 20 0 CEADHP CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903735444 635251685 /nfs/dbraw/zinc/25/16/85/635251685.db2.gz ACKWUXUKZGPZFX-QGZVFWFLSA-N 2 3 281.488 2.428 20 0 CEADHP CC(C)(C)CC[C@H](N)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000904354440 635586697 /nfs/dbraw/zinc/58/66/97/635586697.db2.gz YHNNHAXUFDGMPB-INIZCTEOSA-N 2 3 277.456 2.431 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261141 649615543 /nfs/dbraw/zinc/61/55/43/649615543.db2.gz LVCLGNPRFQYULM-MHEUCROKSA-N 2 3 288.439 2.030 20 0 CEADHP C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000715545773 814974942 /nfs/dbraw/zinc/97/49/42/814974942.db2.gz YDGPEYBYWZJPBP-NUEKZKHPSA-N 2 3 267.461 2.179 20 0 CEADHP CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715216679 807743006 /nfs/dbraw/zinc/74/30/06/807743006.db2.gz CKCHRSMTBTYSEB-GRAKBVBRSA-N 2 3 267.461 2.322 20 0 CEADHP C[C@H]1CC([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C[C@H](C)N1 ZINC001246249313 813752176 /nfs/dbraw/zinc/75/21/76/813752176.db2.gz NZPFMEIZBZHKHZ-KBPBESRZSA-N 2 3 279.472 2.417 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000093516151 364195794 /nfs/dbraw/zinc/19/57/94/364195794.db2.gz HXSNPIHVXRZECA-PMPSAXMXSA-N 2 3 267.461 2.229 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422998072 376914769 /nfs/dbraw/zinc/91/47/69/376914769.db2.gz PKJVBBFCDSPCJH-LSDHHAIUSA-N 2 3 255.450 2.071 20 0 CEADHP [NH3+][C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284967 377212578 /nfs/dbraw/zinc/21/25/78/377212578.db2.gz ZBFJQXDKPKZKBR-WQVCFCJDSA-N 2 3 259.397 2.111 20 0 CEADHP CC(C)(N)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000347003387 218087479 /nfs/dbraw/zinc/08/74/79/218087479.db2.gz LDURMTVEIXNDSR-UHFFFAOYSA-N 2 3 267.461 2.312 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422711819 394733205 /nfs/dbraw/zinc/73/32/05/394733205.db2.gz HKSNYCXVLKXACU-LSDHHAIUSA-N 2 3 255.450 2.358 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422734340 394746389 /nfs/dbraw/zinc/74/63/89/394746389.db2.gz CMSVRYHBBWWCGF-GOEBONIOSA-N 2 3 267.461 2.086 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422745153 394755502 /nfs/dbraw/zinc/75/55/02/394755502.db2.gz UPWLZBLRQVPGNE-IRXDYDNUSA-N 2 3 275.440 2.355 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422745153 394755503 /nfs/dbraw/zinc/75/55/03/394755503.db2.gz UPWLZBLRQVPGNE-IRXDYDNUSA-N 2 3 275.440 2.355 20 0 CEADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000334388937 289066280 /nfs/dbraw/zinc/06/62/80/289066280.db2.gz REIFWVNAVCFDGT-GYTBAZASSA-N 2 3 265.445 2.076 20 0 CEADHP C[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000652356084 401493544 /nfs/dbraw/zinc/49/35/44/401493544.db2.gz RRPWOXZCLAUEQC-RDTXWAMCSA-N 2 3 287.451 2.282 20 0 CEADHP C[NH+](C)C1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000334388936 289066362 /nfs/dbraw/zinc/06/63/62/289066362.db2.gz REIFWVNAVCFDGT-GRAKBVBRSA-N 2 3 265.445 2.076 20 0 CEADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925686443 628491888 /nfs/dbraw/zinc/49/18/88/628491888.db2.gz UGSCKLJWUIRORU-BPQIPLTHSA-N 2 3 293.499 2.476 20 0 CEADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925686443 628491892 /nfs/dbraw/zinc/49/18/92/628491892.db2.gz UGSCKLJWUIRORU-BPQIPLTHSA-N 2 3 293.499 2.476 20 0 CEADHP C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727256 628645287 /nfs/dbraw/zinc/64/52/87/628645287.db2.gz OCVPXKGLUQWHQU-SRVCANOKSA-N 2 3 291.483 2.275 20 0 CEADHP C[C@@H]([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727541 628646189 /nfs/dbraw/zinc/64/61/89/628646189.db2.gz HLBUMCHAFXTFGB-XYPHTWIQSA-N 2 3 279.472 2.132 20 0 CEADHP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000895479181 630214018 /nfs/dbraw/zinc/21/40/18/630214018.db2.gz LLPFBRIXTOFBRQ-KRWDZBQOSA-N 2 3 279.472 2.040 20 0 CEADHP CCC1(N2CCC2)CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903953878 635386342 /nfs/dbraw/zinc/38/63/42/635386342.db2.gz MKZUBFAQHOPMPB-CVEARBPZSA-N 2 3 279.472 2.325 20 0 CEADHP CCC1([NH+]2CCC2)CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903953878 635386347 /nfs/dbraw/zinc/38/63/47/635386347.db2.gz MKZUBFAQHOPMPB-CVEARBPZSA-N 2 3 279.472 2.325 20 0 CEADHP CC[C@@H](NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000873248602 649608642 /nfs/dbraw/zinc/60/86/42/649608642.db2.gz HALUISXCIIORCO-FYRZTWFESA-N 2 3 267.461 2.370 20 0 CEADHP CC[C@H](NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000873248603 649608819 /nfs/dbraw/zinc/60/88/19/649608819.db2.gz HALUISXCIIORCO-PYBGIAKNSA-N 2 3 267.461 2.370 20 0 CEADHP CN(C)Cc1cc(F)cc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205047091 809073563 /nfs/dbraw/zinc/07/35/63/809073563.db2.gz OVHCPEIWUKCSMX-UHFFFAOYSA-N 2 3 279.403 2.058 20 0 CEADHP CN(C)CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000584004320 367129892 /nfs/dbraw/zinc/12/98/92/367129892.db2.gz HQCBARFNIIJOCW-MJBXVCDLSA-N 2 3 255.450 2.212 20 0 CEADHP CN(C)CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000584004318 367129962 /nfs/dbraw/zinc/12/99/62/367129962.db2.gz HQCBARFNIIJOCW-IHRRRGAJSA-N 2 3 255.450 2.212 20 0 CEADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000635006576 369042915 /nfs/dbraw/zinc/04/29/15/369042915.db2.gz SGWBWKXBBAHRGN-OVYGPGRDSA-N 2 3 279.472 2.404 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000635005859 369043125 /nfs/dbraw/zinc/04/31/25/369043125.db2.gz PSGFQLOJXPHJKR-BHTHQVBYSA-N 2 3 259.397 2.238 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+]CCCN(C)C1CCCCC1 ZINC000310869096 376639515 /nfs/dbraw/zinc/63/95/15/376639515.db2.gz LRPOHZFHUCKPAB-AWEZNQCLSA-N 2 3 255.450 2.358 20 0 CEADHP C[N@@H+]1CCC[C@H](CCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423165232 377069656 /nfs/dbraw/zinc/06/96/56/377069656.db2.gz AWYOLEHHLNMTIJ-COXVUDFISA-N 2 3 273.424 2.453 20 0 CEADHP C[N@H+]1CCC[C@H](CCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423165232 377069664 /nfs/dbraw/zinc/06/96/64/377069664.db2.gz AWYOLEHHLNMTIJ-COXVUDFISA-N 2 3 273.424 2.453 20 0 CEADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422801927 394796921 /nfs/dbraw/zinc/79/69/21/394796921.db2.gz COZWMZWSTZHODX-YOEHRIQHSA-N 2 3 275.440 2.226 20 0 CEADHP COC[C@@H](CCC[NH3+])NC1CC[NH+](C2CCCCC2)CC1 ZINC000422826617 394815127 /nfs/dbraw/zinc/81/51/27/394815127.db2.gz RCBWXEVMWNGWAV-MRXNPFEDSA-N 2 3 297.487 2.127 20 0 CEADHP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422826617 394815128 /nfs/dbraw/zinc/81/51/28/394815128.db2.gz RCBWXEVMWNGWAV-MRXNPFEDSA-N 2 3 297.487 2.127 20 0 CEADHP C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420312027 395316155 /nfs/dbraw/zinc/31/61/55/395316155.db2.gz HPIWIOBYSOCBFY-DLBZAZTESA-N 2 3 279.472 2.326 20 0 CEADHP C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468041 414963064 /nfs/dbraw/zinc/96/30/64/414963064.db2.gz JYHQXNCAZRLPQA-RDJZCZTQSA-N 2 3 293.499 2.428 20 0 CEADHP [NH3+]CC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000665299199 415684029 /nfs/dbraw/zinc/68/40/29/415684029.db2.gz IJEFWVLAGQZFIO-ARWYELJZSA-N 2 3 279.472 2.216 20 0 CEADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298850 415686108 /nfs/dbraw/zinc/68/61/08/415686108.db2.gz AUWGBIWVPDRCCI-IRXDYDNUSA-N 2 3 279.472 2.216 20 0 CEADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN(CC2CC2)C1 ZINC000665300018 415688301 /nfs/dbraw/zinc/68/83/01/415688301.db2.gz WMJWLVXEIXNPDO-ZJPYXAASSA-N 2 3 291.483 2.086 20 0 CEADHP C[C@H]1CC2(C[N@@H+]1Cc1cccc3c1CCNC3)CC[NH2+]CC2 ZINC000662283454 415749242 /nfs/dbraw/zinc/74/92/42/415749242.db2.gz OLAXDZTWRFQADO-HNNXBMFYSA-N 2 3 299.462 2.296 20 0 CEADHP C[C@H]1CC2(C[N@H+]1Cc1cccc3c1CCNC3)CC[NH2+]CC2 ZINC000662283454 415749247 /nfs/dbraw/zinc/74/92/47/415749247.db2.gz OLAXDZTWRFQADO-HNNXBMFYSA-N 2 3 299.462 2.296 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+]C2CCNCC2)CC1 ZINC000415083190 527725265 /nfs/dbraw/zinc/72/52/65/527725265.db2.gz NBSUVQDWACSOEI-UHFFFAOYSA-N 2 3 267.461 2.086 20 0 CEADHP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)C1CNC1 ZINC000817914828 633773546 /nfs/dbraw/zinc/77/35/46/633773546.db2.gz ZEBFGUYPKNCOJC-OAHLLOKOSA-N 2 3 267.461 2.230 20 0 CEADHP CN(CCCC[NH+]1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000903948363 635380532 /nfs/dbraw/zinc/38/05/32/635380532.db2.gz OLNSYAVVWQEIJP-INIZCTEOSA-N 2 3 267.461 2.184 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211836 649591949 /nfs/dbraw/zinc/59/19/49/649591949.db2.gz FDHVCDMZHCTCMT-NSHDSACASA-N 2 3 267.442 2.001 20 0 CEADHP NCC1(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232232 649603567 /nfs/dbraw/zinc/60/35/67/649603567.db2.gz NMJIBLSIDHKWPX-ZBFHGGJFSA-N 2 3 279.472 2.345 20 0 CEADHP NCC1(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232232 649603570 /nfs/dbraw/zinc/60/35/70/649603570.db2.gz NMJIBLSIDHKWPX-ZBFHGGJFSA-N 2 3 279.472 2.345 20 0 CEADHP C[C@@H]1C[C@H](C)[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923383050 810090180 /nfs/dbraw/zinc/09/01/80/810090180.db2.gz PLHIUARCMVWWRW-NFKCIVMESA-N 2 3 279.472 2.212 20 0 CEADHP C[C@@H]1C[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923383050 810090181 /nfs/dbraw/zinc/09/01/81/810090181.db2.gz PLHIUARCMVWWRW-NFKCIVMESA-N 2 3 279.472 2.212 20 0 CEADHP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202881 813727730 /nfs/dbraw/zinc/72/77/30/813727730.db2.gz SDZWJHRNDOIIRM-LXTVHRRPSA-N 2 3 253.434 2.014 20 0 CEADHP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571309 814093487 /nfs/dbraw/zinc/09/34/87/814093487.db2.gz BBSKBOMZZXHGOS-JJXSEGSLSA-N 2 3 265.445 2.110 20 0 CEADHP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571309 814093492 /nfs/dbraw/zinc/09/34/92/814093492.db2.gz BBSKBOMZZXHGOS-JJXSEGSLSA-N 2 3 265.445 2.110 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166497773 539285332 /nfs/dbraw/zinc/28/53/32/539285332.db2.gz CHXYCYXKGJPAED-IAGOWNOFSA-N 2 3 279.472 2.325 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423171030 377080292 /nfs/dbraw/zinc/08/02/92/377080292.db2.gz NETJEMCLKUSRFK-DZGCQCFKSA-N 2 3 290.455 2.231 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171030 377080298 /nfs/dbraw/zinc/08/02/98/377080298.db2.gz NETJEMCLKUSRFK-DZGCQCFKSA-N 2 3 290.455 2.231 20 0 CEADHP C[C@@H]1C[C@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716559 297399888 /nfs/dbraw/zinc/39/98/88/297399888.db2.gz WWYBILGDQZMMPL-BRWVUGGUSA-N 2 3 279.472 2.325 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422735490 394747393 /nfs/dbraw/zinc/74/73/93/394747393.db2.gz DWVCFENWIDGKLE-KBPBESRZSA-N 2 3 263.429 2.354 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422735490 394747395 /nfs/dbraw/zinc/74/73/95/394747395.db2.gz DWVCFENWIDGKLE-KBPBESRZSA-N 2 3 263.429 2.354 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000422802211 394797044 /nfs/dbraw/zinc/79/70/44/394797044.db2.gz CXVNSIQXTYCVIF-AWEZNQCLSA-N 2 3 263.429 2.355 20 0 CEADHP [NH3+]CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415057623 394867675 /nfs/dbraw/zinc/86/76/75/394867675.db2.gz RUYHRPLPRDQFRH-HOTGVXAUSA-N 2 3 261.413 2.198 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422882632 394848070 /nfs/dbraw/zinc/84/80/70/394848070.db2.gz PIAWPPIMUCMPGP-TWMKSMIVSA-N 2 3 281.488 2.462 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422882632 394848071 /nfs/dbraw/zinc/84/80/71/394848071.db2.gz PIAWPPIMUCMPGP-TWMKSMIVSA-N 2 3 281.488 2.462 20 0 CEADHP CCCN(C)C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323054 395325764 /nfs/dbraw/zinc/32/57/64/395325764.db2.gz TUQBOUFVZHXQIU-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CCCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323054 395325769 /nfs/dbraw/zinc/32/57/69/395325769.db2.gz TUQBOUFVZHXQIU-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323054 395325772 /nfs/dbraw/zinc/32/57/72/395325772.db2.gz TUQBOUFVZHXQIU-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323054 395325778 /nfs/dbraw/zinc/32/57/78/395325778.db2.gz TUQBOUFVZHXQIU-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793218 395755369 /nfs/dbraw/zinc/75/53/69/395755369.db2.gz PPNMFLLBBCYFLE-XMTFNYHQSA-N 2 3 293.499 2.332 20 0 CEADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414007 396148161 /nfs/dbraw/zinc/14/81/61/396148161.db2.gz ATPVUVABVOLFSV-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414007 396148163 /nfs/dbraw/zinc/14/81/63/396148163.db2.gz ATPVUVABVOLFSV-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414007 396148166 /nfs/dbraw/zinc/14/81/66/396148166.db2.gz ATPVUVABVOLFSV-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414007 396148169 /nfs/dbraw/zinc/14/81/69/396148169.db2.gz ATPVUVABVOLFSV-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP C[NH2+]Cc1ccccc1CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656785187 415859706 /nfs/dbraw/zinc/85/97/06/415859706.db2.gz FPUFSLACGVPVPA-UHFFFAOYSA-N 2 3 295.430 2.342 20 0 CEADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000422801926 270775798 /nfs/dbraw/zinc/77/57/98/270775798.db2.gz COZWMZWSTZHODX-WMLDXEAASA-N 2 3 275.440 2.226 20 0 CEADHP C[NH+](C)CCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161942387 289108292 /nfs/dbraw/zinc/10/82/92/289108292.db2.gz NTJPQVYBLBTLJV-INIZCTEOSA-N 2 3 267.461 2.134 20 0 CEADHP C[NH+](C)CCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161942387 289108295 /nfs/dbraw/zinc/10/82/95/289108295.db2.gz NTJPQVYBLBTLJV-INIZCTEOSA-N 2 3 267.461 2.134 20 0 CEADHP CN1CCC[C@H]1CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000161942387 289108297 /nfs/dbraw/zinc/10/82/97/289108297.db2.gz NTJPQVYBLBTLJV-INIZCTEOSA-N 2 3 267.461 2.134 20 0 CEADHP [NH3+]CCCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000846220050 623360295 /nfs/dbraw/zinc/36/02/95/623360295.db2.gz KCZDLKPKARCYHF-MRXNPFEDSA-N 2 3 267.461 2.313 20 0 CEADHP [NH3+]CCCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000846220050 623360301 /nfs/dbraw/zinc/36/03/01/623360301.db2.gz KCZDLKPKARCYHF-MRXNPFEDSA-N 2 3 267.461 2.313 20 0 CEADHP [NH3+]CCCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000846220050 623360309 /nfs/dbraw/zinc/36/03/09/623360309.db2.gz KCZDLKPKARCYHF-MRXNPFEDSA-N 2 3 267.461 2.313 20 0 CEADHP C[NH+]1CCC(CN2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000892086538 624305539 /nfs/dbraw/zinc/30/55/39/624305539.db2.gz RMDVSVAOHGGUDJ-KRWDZBQOSA-N 2 3 279.472 2.279 20 0 CEADHP CC1(C)C[NH2+]CC[C@@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000902390493 634631680 /nfs/dbraw/zinc/63/16/80/634631680.db2.gz MPYKQIFKIBTXAG-MRXNPFEDSA-N 2 3 275.440 2.056 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@H]1N[C@H](CCC[NH3+])c1ccccc1 ZINC000925698124 628533865 /nfs/dbraw/zinc/53/38/65/628533865.db2.gz BZLFRIIPNJMDMK-FVQBIDKESA-N 2 3 261.413 2.054 20 0 CEADHP C([C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCCCC1 ZINC000903899654 635334809 /nfs/dbraw/zinc/33/48/09/635334809.db2.gz VSWLHZXIUOEHHS-CSNJMZFVSA-N 2 3 291.483 2.325 20 0 CEADHP C([C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCCCC1 ZINC000903899654 635334815 /nfs/dbraw/zinc/33/48/15/635334815.db2.gz VSWLHZXIUOEHHS-CSNJMZFVSA-N 2 3 291.483 2.325 20 0 CEADHP [NH3+]Cc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000904359051 635587790 /nfs/dbraw/zinc/58/77/90/635587790.db2.gz WXPNHLVPSFSMHE-DLBZAZTESA-N 2 3 273.424 2.109 20 0 CEADHP C[NH2+]Cc1ccccc1CNCc1ccc(C[NH3+])cc1 ZINC000904376897 635602086 /nfs/dbraw/zinc/60/20/86/635602086.db2.gz YIUIUCDDZWKLLD-UHFFFAOYSA-N 2 3 269.392 2.155 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416073 635621591 /nfs/dbraw/zinc/62/15/91/635621591.db2.gz GEPWJTOPTDXVLY-NVXWUHKLSA-N 2 3 281.488 2.462 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843126830 640293359 /nfs/dbraw/zinc/29/33/59/640293359.db2.gz JVVHJRILYBJNID-UHFFFAOYSA-N 2 3 255.450 2.358 20 0 CEADHP [NH3+]CCCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000844221494 640636306 /nfs/dbraw/zinc/63/63/06/640636306.db2.gz ORESJEDFEYCHTC-INIZCTEOSA-N 2 3 267.461 2.313 20 0 CEADHP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)N1 ZINC001246221998 813735659 /nfs/dbraw/zinc/73/56/59/813735659.db2.gz HHSKPZFGYOMHAT-IXYNUQLISA-N 2 3 265.445 2.027 20 0 CEADHP C(C[NH+]1CCC(N2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000051919102 362448892 /nfs/dbraw/zinc/44/88/92/362448892.db2.gz AJOHKCHSOUFKOQ-MRXNPFEDSA-N 2 3 279.472 2.326 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339066135 539659687 /nfs/dbraw/zinc/65/96/87/539659687.db2.gz CHXYCYXKGJPAED-IRXDYDNUSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000423295631 377224513 /nfs/dbraw/zinc/22/45/13/377224513.db2.gz XDEPVKRAZYIJHN-HEHGZKQESA-N 2 3 261.413 2.136 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000423295631 377224526 /nfs/dbraw/zinc/22/45/26/377224526.db2.gz XDEPVKRAZYIJHN-HEHGZKQESA-N 2 3 261.413 2.136 20 0 CEADHP CCC[NH+]1CCC(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422735272 394747268 /nfs/dbraw/zinc/74/72/68/394747268.db2.gz DUJQFFDGZNQQJT-HOCLYGCPSA-N 2 3 267.461 2.229 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000422835409 394820358 /nfs/dbraw/zinc/82/03/58/394820358.db2.gz IUIYYJWPVHNCJS-GJZGRUSLSA-N 2 3 269.477 2.460 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422884610 394849181 /nfs/dbraw/zinc/84/91/81/394849181.db2.gz SEFDBFHNWPUIOO-BZUAXINKSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422884610 394849185 /nfs/dbraw/zinc/84/91/85/394849185.db2.gz SEFDBFHNWPUIOO-BZUAXINKSA-N 2 3 267.461 2.216 20 0 CEADHP C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311525 395314480 /nfs/dbraw/zinc/31/44/80/395314480.db2.gz HDMKXJVQHUYXFP-DOTOQJQBSA-N 2 3 279.472 2.040 20 0 CEADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311525 395314489 /nfs/dbraw/zinc/31/44/89/395314489.db2.gz HDMKXJVQHUYXFP-DOTOQJQBSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311525 395314493 /nfs/dbraw/zinc/31/44/93/395314493.db2.gz HDMKXJVQHUYXFP-DOTOQJQBSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311525 395314498 /nfs/dbraw/zinc/31/44/98/395314498.db2.gz HDMKXJVQHUYXFP-DOTOQJQBSA-N 2 3 279.472 2.040 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000647987766 395796807 /nfs/dbraw/zinc/79/68/07/395796807.db2.gz YEXWVFODCNSCSD-IRXDYDNUSA-N 2 3 279.472 2.230 20 0 CEADHP C[NH2+]Cc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000650755860 401032735 /nfs/dbraw/zinc/03/27/35/401032735.db2.gz OJVHDCKPAJNIEF-CZUORRHYSA-N 2 3 261.413 2.013 20 0 CEADHP CC[C@H](NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665300163 415688539 /nfs/dbraw/zinc/68/85/39/415688539.db2.gz ZKOLCHPMMNENFJ-IRXDYDNUSA-N 2 3 279.472 2.229 20 0 CEADHP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1 ZINC000665300163 415688544 /nfs/dbraw/zinc/68/85/44/415688544.db2.gz ZKOLCHPMMNENFJ-IRXDYDNUSA-N 2 3 279.472 2.229 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222884891 280212161 /nfs/dbraw/zinc/21/21/61/280212161.db2.gz OOBYWQUSYNGTFT-ZNMIVQPWSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@@H]([NH3+])[C@@H](N[C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000925727780 628647666 /nfs/dbraw/zinc/64/76/66/628647666.db2.gz HXJSLWPSJVLYAH-XJKCOSOUSA-N 2 3 261.413 2.053 20 0 CEADHP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472544 628834322 /nfs/dbraw/zinc/83/43/22/628834322.db2.gz CPLCVXJUXPHUBA-IEBWSBKVSA-N 2 3 299.462 2.248 20 0 CEADHP C[N@H+]1CCC[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472544 628834325 /nfs/dbraw/zinc/83/43/25/628834325.db2.gz CPLCVXJUXPHUBA-IEBWSBKVSA-N 2 3 299.462 2.248 20 0 CEADHP CC(C)[N@H+](C)CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903735443 635251755 /nfs/dbraw/zinc/25/17/55/635251755.db2.gz ACKWUXUKZGPZFX-KRWDZBQOSA-N 2 3 281.488 2.428 20 0 CEADHP CC(C)[N@@H+](C)CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903735443 635251761 /nfs/dbraw/zinc/25/17/61/635251761.db2.gz ACKWUXUKZGPZFX-KRWDZBQOSA-N 2 3 281.488 2.428 20 0 CEADHP [NH3+]CCCCCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843363301 640405446 /nfs/dbraw/zinc/40/54/46/640405446.db2.gz VSFPTFCNBUPJAF-HZPDHXFCSA-N 2 3 267.461 2.360 20 0 CEADHP [NH3+]CCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223478 641232980 /nfs/dbraw/zinc/23/29/80/641232980.db2.gz LJXGTPNHNPWYBB-WBVHZDCISA-N 2 3 279.472 2.454 20 0 CEADHP [NH3+]CCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000846223478 641232982 /nfs/dbraw/zinc/23/29/82/641232982.db2.gz LJXGTPNHNPWYBB-WBVHZDCISA-N 2 3 279.472 2.454 20 0 CEADHP CC(C)C[N@H+](CCCNC1CC1)CC1CC[NH+](C)CC1 ZINC000923413593 643701822 /nfs/dbraw/zinc/70/18/22/643701822.db2.gz GDWBJJJQFPTOBM-UHFFFAOYSA-N 2 3 281.488 2.428 20 0 CEADHP CC(C)C[N@@H+](CCCNC1CC1)CC1CC[NH+](C)CC1 ZINC000923413593 643701831 /nfs/dbraw/zinc/70/18/31/643701831.db2.gz GDWBJJJQFPTOBM-UHFFFAOYSA-N 2 3 281.488 2.428 20 0 CEADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000925488538 644187288 /nfs/dbraw/zinc/18/72/88/644187288.db2.gz KLGNNARQRDRYBQ-CABCVRRESA-N 2 3 267.461 2.371 20 0 CEADHP [NH3+][C@H]1C[C@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262330 649616066 /nfs/dbraw/zinc/61/60/66/649616066.db2.gz WYECVHSIVMEISH-ZWRJDUBHSA-N 2 3 271.408 2.251 20 0 CEADHP CCC1([NH+](C)C)CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000715226666 814940791 /nfs/dbraw/zinc/94/07/91/814940791.db2.gz ACXHMTCFKVXXJL-MQVJKMGUSA-N 2 3 279.472 2.323 20 0 CEADHP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CNC3)CCC[C@@H]1C[NH3+] ZINC001206023565 811690637 /nfs/dbraw/zinc/69/06/37/811690637.db2.gz FUZZNJBKERUDOZ-UKRRQHHQSA-N 2 3 273.424 2.097 20 0 CEADHP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CNC3)CCC[C@@H]1C[NH3+] ZINC001206023565 811690642 /nfs/dbraw/zinc/69/06/42/811690642.db2.gz FUZZNJBKERUDOZ-UKRRQHHQSA-N 2 3 273.424 2.097 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)CN1CCCC1 ZINC000423068582 376959709 /nfs/dbraw/zinc/95/97/09/376959709.db2.gz CDDXUPKHDADKCR-CQSZACIVSA-N 2 3 255.450 2.216 20 0 CEADHP NC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000564825477 377466454 /nfs/dbraw/zinc/46/64/54/377466454.db2.gz KGTUILKCUSVKKM-WBVHZDCISA-N 2 3 288.439 2.015 20 0 CEADHP CCC[NH+]1CCC(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422735271 394747641 /nfs/dbraw/zinc/74/76/41/394747641.db2.gz DUJQFFDGZNQQJT-GOEBONIOSA-N 2 3 267.461 2.229 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422786987 394784821 /nfs/dbraw/zinc/78/48/21/394784821.db2.gz POVXXJFKCQEMCP-HOTGVXAUSA-N 2 3 267.461 2.216 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000422835411 394820156 /nfs/dbraw/zinc/82/01/56/394820156.db2.gz IUIYYJWPVHNCJS-LSDHHAIUSA-N 2 3 269.477 2.460 20 0 CEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422867244 394837961 /nfs/dbraw/zinc/83/79/61/394837961.db2.gz RUUYUXWKFGVWOU-COXVUDFISA-N 2 3 291.439 2.078 20 0 CEADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000422879705 394846036 /nfs/dbraw/zinc/84/60/36/394846036.db2.gz KTLVQRAYDSJQBI-PMPSAXMXSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000422879705 394846039 /nfs/dbraw/zinc/84/60/39/394846039.db2.gz KTLVQRAYDSJQBI-PMPSAXMXSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422882634 394848139 /nfs/dbraw/zinc/84/81/39/394848139.db2.gz PIAWPPIMUCMPGP-YVSFHVDLSA-N 2 3 281.488 2.462 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422882634 394848143 /nfs/dbraw/zinc/84/81/43/394848143.db2.gz PIAWPPIMUCMPGP-YVSFHVDLSA-N 2 3 281.488 2.462 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423533872 394947043 /nfs/dbraw/zinc/94/70/43/394947043.db2.gz ZAPIZNMGEATPLB-CNSOWSRNSA-N 2 3 279.472 2.247 20 0 CEADHP C1CCC(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)C1 ZINC000423543989 394948453 /nfs/dbraw/zinc/94/84/53/394948453.db2.gz NRVAONHBTMERHF-YQQAZPJKSA-N 2 3 291.483 2.371 20 0 CEADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311534 395314811 /nfs/dbraw/zinc/31/48/11/395314811.db2.gz HDMKXJVQHUYXFP-WBVHZDCISA-N 2 3 279.472 2.040 20 0 CEADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311534 395314812 /nfs/dbraw/zinc/31/48/12/395314812.db2.gz HDMKXJVQHUYXFP-WBVHZDCISA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311534 395314813 /nfs/dbraw/zinc/31/48/13/395314813.db2.gz HDMKXJVQHUYXFP-WBVHZDCISA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311534 395314814 /nfs/dbraw/zinc/31/48/14/395314814.db2.gz HDMKXJVQHUYXFP-WBVHZDCISA-N 2 3 279.472 2.040 20 0 CEADHP CC(C)[C@@H]([NH3+])CCN(C)CCCC1CC[NH2+]CC1 ZINC000647859059 395764649 /nfs/dbraw/zinc/76/46/49/395764649.db2.gz WKZLNVOJXGYXGI-HNNXBMFYSA-N 2 3 255.450 2.071 20 0 CEADHP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000650756107 401033143 /nfs/dbraw/zinc/03/31/43/401033143.db2.gz USHOIGFZQWKLNM-HZPDHXFCSA-N 2 3 261.413 2.156 20 0 CEADHP CC1CCN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401002169 414748734 /nfs/dbraw/zinc/74/87/34/414748734.db2.gz BYETULMEDCWAQP-YESZJQIVSA-N 2 3 279.472 2.086 20 0 CEADHP C[C@H](NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000665299429 415689023 /nfs/dbraw/zinc/68/90/23/415689023.db2.gz MSQLUPGXVJSYBF-YOEHRIQHSA-N 2 3 279.472 2.229 20 0 CEADHP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275083 415742268 /nfs/dbraw/zinc/74/22/68/415742268.db2.gz RJSGWALCSKSOBQ-NVXWUHKLSA-N 2 3 299.462 2.154 20 0 CEADHP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275083 415742277 /nfs/dbraw/zinc/74/22/77/415742277.db2.gz RJSGWALCSKSOBQ-NVXWUHKLSA-N 2 3 299.462 2.154 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1=CC[N@H+](C)CC1 ZINC000392212423 270340574 /nfs/dbraw/zinc/34/05/74/270340574.db2.gz KBUOKCRVXLYHDH-GDBMZVCRSA-N 2 3 265.445 2.149 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1=CC[N@@H+](C)CC1 ZINC000392212423 270340575 /nfs/dbraw/zinc/34/05/75/270340575.db2.gz KBUOKCRVXLYHDH-GDBMZVCRSA-N 2 3 265.445 2.149 20 0 CEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422866607 270794999 /nfs/dbraw/zinc/79/49/99/270794999.db2.gz QXEFZDMEZUXQCZ-YESZJQIVSA-N 2 3 299.503 2.244 20 0 CEADHP CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415000426 278341502 /nfs/dbraw/zinc/34/15/02/278341502.db2.gz KFVHNCFRBOTYBM-ZIAGYGMSSA-N 2 3 267.461 2.356 20 0 CEADHP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CN(C)C)CCCC1 ZINC000423037863 281004968 /nfs/dbraw/zinc/00/49/68/281004968.db2.gz NHYHWLIIGCTXNK-LSDHHAIUSA-N 2 3 267.461 2.086 20 0 CEADHP C[NH+](C)CC1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000358354243 289103950 /nfs/dbraw/zinc/10/39/50/289103950.db2.gz PSMOFSUOTHEJOM-BACDZXNISA-N 2 3 279.472 2.323 20 0 CEADHP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000577499470 314383347 /nfs/dbraw/zinc/38/33/47/314383347.db2.gz MQUODKMUWIOMQI-ZDUSSCGKSA-N 2 3 290.455 2.231 20 0 CEADHP C1=C(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925710646 628558381 /nfs/dbraw/zinc/55/83/81/628558381.db2.gz XTYBTBSRNBYHTL-DLBZAZTESA-N 2 3 277.456 2.054 20 0 CEADHP C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727255 628645435 /nfs/dbraw/zinc/64/54/35/628645435.db2.gz OCVPXKGLUQWHQU-REEYDVFISA-N 2 3 291.483 2.275 20 0 CEADHP C[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000923386937 643692900 /nfs/dbraw/zinc/69/29/00/643692900.db2.gz LKPWQZDJBHGZBT-MKXAEBJUSA-N 2 3 279.472 2.356 20 0 CEADHP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCN ZINC000923386937 643692901 /nfs/dbraw/zinc/69/29/01/643692901.db2.gz LKPWQZDJBHGZBT-MKXAEBJUSA-N 2 3 279.472 2.356 20 0 CEADHP C[NH2+]CCCN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157696 649300534 /nfs/dbraw/zinc/30/05/34/649300534.db2.gz PRRYXPZYNFXLMD-GDBMZVCRSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@]1(N)CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001204763641 805750605 /nfs/dbraw/zinc/75/06/05/805750605.db2.gz OIOGFEJHTMYHCX-SFHVURJKSA-N 2 3 287.451 2.322 20 0 CEADHP C[C@]1(N)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001204763641 805750613 /nfs/dbraw/zinc/75/06/13/805750613.db2.gz OIOGFEJHTMYHCX-SFHVURJKSA-N 2 3 287.451 2.322 20 0 CEADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246501162 813873185 /nfs/dbraw/zinc/87/31/85/813873185.db2.gz AORQMYGXFKACPG-CAOSSQGBSA-N 2 3 267.461 2.370 20 0 CEADHP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646978 814243107 /nfs/dbraw/zinc/24/31/07/814243107.db2.gz REEDGNNESUTXOE-ZACQAIPSSA-N 2 3 279.472 2.371 20 0 CEADHP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646978 814243114 /nfs/dbraw/zinc/24/31/14/814243114.db2.gz REEDGNNESUTXOE-ZACQAIPSSA-N 2 3 279.472 2.371 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000125995142 539227093 /nfs/dbraw/zinc/22/70/93/539227093.db2.gz LCZQIMXWIXWENW-JKSUJKDBSA-N 2 3 281.488 2.427 20 0 CEADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605193 539966685 /nfs/dbraw/zinc/96/66/85/539966685.db2.gz LBHJPBGEGUDDBJ-QBPKDAKJSA-N 2 3 279.472 2.229 20 0 CEADHP CCC1(N(C)C)CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000631865888 367599877 /nfs/dbraw/zinc/59/98/77/367599877.db2.gz QLGHFILYOVTJQH-HNNXBMFYSA-N 2 3 267.461 2.182 20 0 CEADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000635006587 369042888 /nfs/dbraw/zinc/04/28/88/369042888.db2.gz SGWBWKXBBAHRGN-WRQOLXDDSA-N 2 3 279.472 2.404 20 0 CEADHP CSC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000353649737 370121103 /nfs/dbraw/zinc/12/11/03/370121103.db2.gz OGUKTWAQNCBKSQ-LSDHHAIUSA-N 2 3 297.512 2.030 20 0 CEADHP CSC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000353649737 370121108 /nfs/dbraw/zinc/12/11/08/370121108.db2.gz OGUKTWAQNCBKSQ-LSDHHAIUSA-N 2 3 297.512 2.030 20 0 CEADHP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000250363844 371382244 /nfs/dbraw/zinc/38/22/44/371382244.db2.gz WCVHKUSEGUIVJN-BZUAXINKSA-N 2 3 267.461 2.229 20 0 CEADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423165234 377069808 /nfs/dbraw/zinc/06/98/08/377069808.db2.gz AWYOLEHHLNMTIJ-XOKHGSTOSA-N 2 3 273.424 2.453 20 0 CEADHP C[N@H+]1CCC[C@H](CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423165234 377069814 /nfs/dbraw/zinc/06/98/14/377069814.db2.gz AWYOLEHHLNMTIJ-XOKHGSTOSA-N 2 3 273.424 2.453 20 0 CEADHP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000333886619 394655028 /nfs/dbraw/zinc/65/50/28/394655028.db2.gz XIMUGYJFJXGUCZ-IJNPPISZSA-N 2 3 271.408 2.109 20 0 CEADHP [NH3+]CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415057624 394867664 /nfs/dbraw/zinc/86/76/64/394867664.db2.gz RUYHRPLPRDQFRH-HZPDHXFCSA-N 2 3 261.413 2.198 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323596 395325626 /nfs/dbraw/zinc/32/56/26/395325626.db2.gz GFQZCFPQGSHUMM-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323596 395325631 /nfs/dbraw/zinc/32/56/31/395325631.db2.gz GFQZCFPQGSHUMM-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323596 395325636 /nfs/dbraw/zinc/32/56/36/395325636.db2.gz GFQZCFPQGSHUMM-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CC[NH2+]CC1CC[NH+](CCCN(CC)CC)CC1 ZINC000420292845 395299683 /nfs/dbraw/zinc/29/96/83/395299683.db2.gz QDQHEXZIUGBXJK-UHFFFAOYSA-N 2 3 255.450 2.040 20 0 CEADHP CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647788531 395754725 /nfs/dbraw/zinc/75/47/25/395754725.db2.gz LIYFSYFMNKZAPB-RCCFBDPRSA-N 2 3 287.451 2.226 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793216 395755456 /nfs/dbraw/zinc/75/54/56/395755456.db2.gz PPNMFLLBBCYFLE-BRSBDYLESA-N 2 3 293.499 2.332 20 0 CEADHP CCN(CC)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037209985 173031570 /nfs/dbraw/zinc/03/15/70/173031570.db2.gz DMIIOHBOOFLDPF-CQSZACIVSA-N 2 3 255.450 2.038 20 0 CEADHP C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000038041942 174044723 /nfs/dbraw/zinc/04/47/23/174044723.db2.gz ZBPANPOVQCTYEG-JKSUJKDBSA-N 2 3 281.488 2.428 20 0 CEADHP C[C@H]1C[NH2+]CC[C@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000663495244 414969440 /nfs/dbraw/zinc/96/94/40/414969440.db2.gz WICLTZDQPNRORZ-RDJZCZTQSA-N 2 3 275.440 2.083 20 0 CEADHP C[C@H]1C[NH2+]CC[C@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000663495244 414969444 /nfs/dbraw/zinc/96/94/44/414969444.db2.gz WICLTZDQPNRORZ-RDJZCZTQSA-N 2 3 275.440 2.083 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000665299974 415688673 /nfs/dbraw/zinc/68/86/73/415688673.db2.gz VWIDKRLKAAUVHF-GDBMZVCRSA-N 2 3 267.461 2.216 20 0 CEADHP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275082 415742515 /nfs/dbraw/zinc/74/25/15/415742515.db2.gz RJSGWALCSKSOBQ-DOTOQJQBSA-N 2 3 299.462 2.154 20 0 CEADHP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275082 415742518 /nfs/dbraw/zinc/74/25/18/415742518.db2.gz RJSGWALCSKSOBQ-DOTOQJQBSA-N 2 3 299.462 2.154 20 0 CEADHP C[C@@H]1C[C@@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000662284069 415750929 /nfs/dbraw/zinc/75/09/29/415750929.db2.gz SQXARBCYNUNDOF-CKEIUWERSA-N 2 3 287.451 2.138 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292471 415756561 /nfs/dbraw/zinc/75/65/61/415756561.db2.gz FKIJVRABHZSXHZ-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292471 415756568 /nfs/dbraw/zinc/75/65/68/415756568.db2.gz FKIJVRABHZSXHZ-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292471 415756575 /nfs/dbraw/zinc/75/65/75/415756575.db2.gz FKIJVRABHZSXHZ-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787320 415861835 /nfs/dbraw/zinc/86/18/35/415861835.db2.gz XHDGJCZSFYEJRT-HZPDHXFCSA-N 2 3 267.461 2.071 20 0 CEADHP c1ccc(C[NH+]2CCC(C[NH2+]C3CCNCC3)CC2)cc1 ZINC000397596878 280680166 /nfs/dbraw/zinc/68/01/66/280680166.db2.gz LZNJQZSQBTXKFL-UHFFFAOYSA-N 2 3 287.451 2.240 20 0 CEADHP C[NH+](C)CC1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424303868 281145009 /nfs/dbraw/zinc/14/50/09/281145009.db2.gz PMEDSIMRZFICIB-MRXNPFEDSA-N 2 3 293.430 2.142 20 0 CEADHP C[C@H]1CCC[N@H+](CCCCCCC[NH3+])[C@@H]1CCN ZINC000846226543 623363231 /nfs/dbraw/zinc/36/32/31/623363231.db2.gz OUPLXKOWSJLJQY-LSDHHAIUSA-N 2 3 255.450 2.345 20 0 CEADHP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CCN ZINC000846226543 623363235 /nfs/dbraw/zinc/36/32/35/623363235.db2.gz OUPLXKOWSJLJQY-LSDHHAIUSA-N 2 3 255.450 2.345 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](CCC[NH3+])c1ccccc1 ZINC000925698126 628534329 /nfs/dbraw/zinc/53/43/29/628534329.db2.gz BZLFRIIPNJMDMK-VNQPRFMTSA-N 2 3 261.413 2.054 20 0 CEADHP CC1CCN(CCC[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000054240305 630699629 /nfs/dbraw/zinc/69/96/29/630699629.db2.gz NCNOWCVFFULVLW-UHFFFAOYSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H]1C[N@H+](C[C@@H](N)CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410576 635616561 /nfs/dbraw/zinc/61/65/61/635616561.db2.gz OWHBAOAYDIRVPN-RDBSUJKOSA-N 2 3 255.450 2.057 20 0 CEADHP C[C@@H]1C[N@@H+](C[C@@H](N)CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410576 635616567 /nfs/dbraw/zinc/61/65/67/635616567.db2.gz OWHBAOAYDIRVPN-RDBSUJKOSA-N 2 3 255.450 2.057 20 0 CEADHP C(CN1CC[C@H](C[NH+]2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324933 643663274 /nfs/dbraw/zinc/66/32/74/643663274.db2.gz NRKQSPFEXUIGBH-KCBNDJSGSA-N 2 3 291.483 2.325 20 0 CEADHP C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324933 643663276 /nfs/dbraw/zinc/66/32/76/643663276.db2.gz NRKQSPFEXUIGBH-KCBNDJSGSA-N 2 3 291.483 2.325 20 0 CEADHP C(C[N@H+]1CC[C@H](CN2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324933 643663278 /nfs/dbraw/zinc/66/32/78/643663278.db2.gz NRKQSPFEXUIGBH-KCBNDJSGSA-N 2 3 291.483 2.325 20 0 CEADHP c1ccc(C[NH+]2CCC(C[NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC000634995789 369025042 /nfs/dbraw/zinc/02/50/42/369025042.db2.gz OYJLSTUEEUTOFT-UHFFFAOYSA-N 2 3 299.462 2.240 20 0 CEADHP c1ccc(C[NH+]2CCC(CNCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634995789 369025047 /nfs/dbraw/zinc/02/50/47/369025047.db2.gz OYJLSTUEEUTOFT-UHFFFAOYSA-N 2 3 299.462 2.240 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000635005854 369043070 /nfs/dbraw/zinc/04/30/70/369043070.db2.gz PSGFQLOJXPHJKR-APYUEPQZSA-N 2 3 259.397 2.238 20 0 CEADHP C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000635009013 369045293 /nfs/dbraw/zinc/04/52/93/369045293.db2.gz GAYCLMRRRDSGDU-DZGCQCFKSA-N 2 3 267.461 2.085 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423171032 377080066 /nfs/dbraw/zinc/08/00/66/377080066.db2.gz NETJEMCLKUSRFK-UKRRQHHQSA-N 2 3 290.455 2.231 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171032 377080069 /nfs/dbraw/zinc/08/00/69/377080069.db2.gz NETJEMCLKUSRFK-UKRRQHHQSA-N 2 3 290.455 2.231 20 0 CEADHP C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000564470409 377395593 /nfs/dbraw/zinc/39/55/93/377395593.db2.gz LVLJPHSOXRCWOE-CVEARBPZSA-N 2 3 261.413 2.108 20 0 CEADHP C[NH+](C)CCCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346984804 218079140 /nfs/dbraw/zinc/07/91/40/218079140.db2.gz QYDZOKRVAXXCJQ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346984804 218079141 /nfs/dbraw/zinc/07/91/41/218079141.db2.gz QYDZOKRVAXXCJQ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422745152 394755652 /nfs/dbraw/zinc/75/56/52/394755652.db2.gz UPWLZBLRQVPGNE-IAGOWNOFSA-N 2 3 275.440 2.355 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422745152 394755655 /nfs/dbraw/zinc/75/56/55/394755655.db2.gz UPWLZBLRQVPGNE-IAGOWNOFSA-N 2 3 275.440 2.355 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000422835410 394819982 /nfs/dbraw/zinc/81/99/82/394819982.db2.gz IUIYYJWPVHNCJS-HUUCEWRRSA-N 2 3 269.477 2.460 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422884667 394849385 /nfs/dbraw/zinc/84/93/85/394849385.db2.gz SNHXKXXIWGBLSV-VPSFDDGASA-N 2 3 279.472 2.371 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422884667 394849388 /nfs/dbraw/zinc/84/93/88/394849388.db2.gz SNHXKXXIWGBLSV-VPSFDDGASA-N 2 3 279.472 2.371 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422886785 394850028 /nfs/dbraw/zinc/85/00/28/394850028.db2.gz XRGGTYDDGZZYGC-ZACQAIPSSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422886785 394850029 /nfs/dbraw/zinc/85/00/29/394850029.db2.gz XRGGTYDDGZZYGC-ZACQAIPSSA-N 2 3 281.488 2.476 20 0 CEADHP CC[N@H+](CCC1CCN(CCC[NH2+]C)CC1)CC1CC1 ZINC000420365586 395352503 /nfs/dbraw/zinc/35/25/03/395352503.db2.gz FAEMCYBLVFDNTO-UHFFFAOYSA-N 2 3 281.488 2.430 20 0 CEADHP CC[N@@H+](CCC1CCN(CCC[NH2+]C)CC1)CC1CC1 ZINC000420365586 395352507 /nfs/dbraw/zinc/35/25/07/395352507.db2.gz FAEMCYBLVFDNTO-UHFFFAOYSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977961 395794374 /nfs/dbraw/zinc/79/43/74/395794374.db2.gz KFCSWABEWLERRY-IAGOWNOFSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977961 395794377 /nfs/dbraw/zinc/79/43/77/395794377.db2.gz KFCSWABEWLERRY-IAGOWNOFSA-N 2 3 281.488 2.430 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977961 395794379 /nfs/dbraw/zinc/79/43/79/395794379.db2.gz KFCSWABEWLERRY-IAGOWNOFSA-N 2 3 281.488 2.430 20 0 CEADHP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275085 415743537 /nfs/dbraw/zinc/74/35/37/415743537.db2.gz RJSGWALCSKSOBQ-WBVHZDCISA-N 2 3 299.462 2.154 20 0 CEADHP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662275085 415743543 /nfs/dbraw/zinc/74/35/43/415743543.db2.gz RJSGWALCSKSOBQ-WBVHZDCISA-N 2 3 299.462 2.154 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCCC[C@H]1C ZINC000336791322 298390860 /nfs/dbraw/zinc/39/08/60/298390860.db2.gz NBHSMYVZLDUROF-HUUCEWRRSA-N 2 3 255.450 2.358 20 0 CEADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925632473 628327656 /nfs/dbraw/zinc/32/76/56/628327656.db2.gz RVLDPPPKNYKNHV-IRXDYDNUSA-N 2 3 293.499 2.476 20 0 CEADHP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925861802 628962058 /nfs/dbraw/zinc/96/20/58/628962058.db2.gz SSICTSDRVIFHEO-HWOWSKLDSA-N 2 3 277.456 2.268 20 0 CEADHP [NH3+]CCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223476 641232517 /nfs/dbraw/zinc/23/25/17/641232517.db2.gz LJXGTPNHNPWYBB-NVXWUHKLSA-N 2 3 279.472 2.454 20 0 CEADHP [NH3+]CCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000846223476 641232525 /nfs/dbraw/zinc/23/25/25/641232525.db2.gz LJXGTPNHNPWYBB-NVXWUHKLSA-N 2 3 279.472 2.454 20 0 CEADHP C[C@@H]1CN(CCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447623 652473389 /nfs/dbraw/zinc/47/33/89/652473389.db2.gz HDYRAQIRBMLJCZ-OAHLLOKOSA-N 2 3 276.428 2.111 20 0 CEADHP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447623 652473392 /nfs/dbraw/zinc/47/33/92/652473392.db2.gz HDYRAQIRBMLJCZ-OAHLLOKOSA-N 2 3 276.428 2.111 20 0 CEADHP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447623 652473393 /nfs/dbraw/zinc/47/33/93/652473393.db2.gz HDYRAQIRBMLJCZ-OAHLLOKOSA-N 2 3 276.428 2.111 20 0 CEADHP C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)CC1CC[NH2+]CC1 ZINC001246108818 813702777 /nfs/dbraw/zinc/70/27/77/813702777.db2.gz WQBJSMIBPPVDDT-MUJYYYPQSA-N 2 3 265.445 2.029 20 0 CEADHP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208794 813730231 /nfs/dbraw/zinc/73/02/31/813730231.db2.gz DXQISCKARKJZBO-ZQDZILKHSA-N 2 3 267.461 2.260 20 0 CEADHP CC[C@@]1(CN[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001246455159 813828942 /nfs/dbraw/zinc/82/89/42/813828942.db2.gz HHRQPIHQVKZXSL-XHSDSOJGSA-N 2 3 265.445 2.031 20 0 CEADHP CC[NH+]1CCC(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157429402 344446544 /nfs/dbraw/zinc/44/65/44/344446544.db2.gz LMEFQXJEJSWZIP-DLBZAZTESA-N 2 3 273.424 2.453 20 0 CEADHP N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008663 369045022 /nfs/dbraw/zinc/04/50/22/369045022.db2.gz GHQAZSWHICNESQ-DLBZAZTESA-N 2 3 273.424 2.082 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704651 375929798 /nfs/dbraw/zinc/92/97/98/375929798.db2.gz KROYRHBQFZGVSL-JYJNAYRXSA-N 2 3 267.461 2.038 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704651 375929804 /nfs/dbraw/zinc/92/98/04/375929804.db2.gz KROYRHBQFZGVSL-JYJNAYRXSA-N 2 3 267.461 2.038 20 0 CEADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000333809904 380152398 /nfs/dbraw/zinc/15/23/98/380152398.db2.gz JBMYNJUBISFIOJ-OLMNGRFOSA-N 2 3 265.445 2.014 20 0 CEADHP C[C@@H](N)C[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422711818 394733084 /nfs/dbraw/zinc/73/30/84/394733084.db2.gz HKSNYCXVLKXACU-HUUCEWRRSA-N 2 3 255.450 2.358 20 0 CEADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422787730 394786116 /nfs/dbraw/zinc/78/61/16/394786116.db2.gz QGFZJSXKOOIVGT-ZWKOTPCHSA-N 2 3 287.451 2.499 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000422886771 394850418 /nfs/dbraw/zinc/85/04/18/394850418.db2.gz XNQNAPWEYQNLMT-RBSFLKMASA-N 2 3 255.450 2.071 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000422888060 394850941 /nfs/dbraw/zinc/85/09/41/394850941.db2.gz ZYMOYJXCOXNJPJ-OWCLPIDISA-N 2 3 269.477 2.462 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CCCNC2)CC1 ZINC000415086742 394883913 /nfs/dbraw/zinc/88/39/13/394883913.db2.gz SQJYRTINHOSZNE-KRWDZBQOSA-N 2 3 281.488 2.334 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423461977 394927278 /nfs/dbraw/zinc/92/72/78/394927278.db2.gz DBYKWJPUVLSIIN-JLJPHGGASA-N 2 3 293.430 2.236 20 0 CEADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789756 395755052 /nfs/dbraw/zinc/75/50/52/395755052.db2.gz KMKZROIYUBNUJA-MDMSPXHWSA-N 2 3 293.499 2.332 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793217 395755552 /nfs/dbraw/zinc/75/55/52/395755552.db2.gz PPNMFLLBBCYFLE-VSZNYVQBSA-N 2 3 293.499 2.332 20 0 CEADHP C[C@@H]1C[C@H](C)[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992984 395798165 /nfs/dbraw/zinc/79/81/65/395798165.db2.gz WOEIOZUIQZVIDW-YCPHGPKFSA-N 2 3 267.461 2.071 20 0 CEADHP C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000647992984 395798166 /nfs/dbraw/zinc/79/81/66/395798166.db2.gz WOEIOZUIQZVIDW-YCPHGPKFSA-N 2 3 267.461 2.071 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222884749 260244688 /nfs/dbraw/zinc/24/46/88/260244688.db2.gz OOBYWQUSYNGTFT-RRFJBIMHSA-N 2 3 255.450 2.356 20 0 CEADHP CCO[C@H](CC[NH+](C)C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422866606 270794498 /nfs/dbraw/zinc/79/44/98/270794498.db2.gz QXEFZDMEZUXQCZ-IXDOHACOSA-N 2 3 299.503 2.244 20 0 CEADHP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000250810594 275396277 /nfs/dbraw/zinc/39/62/77/275396277.db2.gz DHKJSFHQMAHCIO-SPUZQDLCSA-N 2 3 291.483 2.371 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876322 280945562 /nfs/dbraw/zinc/94/55/62/280945562.db2.gz GEALWTFWHUKWDV-GJZGRUSLSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000423028101 280999707 /nfs/dbraw/zinc/99/97/07/280999707.db2.gz FWNGSIGJSZWDMW-CABCVRRESA-N 2 3 255.450 2.358 20 0 CEADHP N[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000583641261 322559203 /nfs/dbraw/zinc/55/92/03/322559203.db2.gz KKUJWQQBVXNBRD-CABCVRRESA-N 2 3 253.434 2.112 20 0 CEADHP [NH3+]CCCCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925713793 628565710 /nfs/dbraw/zinc/56/57/10/628565710.db2.gz UECJXLDAXLEEOJ-HOTGVXAUSA-N 2 3 267.461 2.263 20 0 CEADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3C[C@H](C[NH3+])C3)CC2)C1 ZINC000902488716 634703848 /nfs/dbraw/zinc/70/38/48/634703848.db2.gz MTHNWXNATYBCDB-SRABZTEZSA-N 2 3 279.472 2.356 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456735 635139652 /nfs/dbraw/zinc/13/96/52/635139652.db2.gz KDMZGDARDRNQDK-MPTYRVRUSA-N 2 3 277.456 2.063 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456735 635139656 /nfs/dbraw/zinc/13/96/56/635139656.db2.gz KDMZGDARDRNQDK-MPTYRVRUSA-N 2 3 277.456 2.063 20 0 CEADHP CC[NH+](CC)C[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899673 635335423 /nfs/dbraw/zinc/33/54/23/635335423.db2.gz WDKUOMVWGJDUKD-XYTVBORESA-N 2 3 279.472 2.181 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899673 635335427 /nfs/dbraw/zinc/33/54/27/635335427.db2.gz WDKUOMVWGJDUKD-XYTVBORESA-N 2 3 279.472 2.181 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899673 635335430 /nfs/dbraw/zinc/33/54/30/635335430.db2.gz WDKUOMVWGJDUKD-XYTVBORESA-N 2 3 279.472 2.181 20 0 CEADHP CCC1(N2CCC2)CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903953880 635386156 /nfs/dbraw/zinc/38/61/56/635386156.db2.gz MKZUBFAQHOPMPB-HZPDHXFCSA-N 2 3 279.472 2.325 20 0 CEADHP CCC1([NH+]2CCC2)CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903953880 635386158 /nfs/dbraw/zinc/38/61/58/635386158.db2.gz MKZUBFAQHOPMPB-HZPDHXFCSA-N 2 3 279.472 2.325 20 0 CEADHP CCC1(N2CCC2)CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903953881 635386868 /nfs/dbraw/zinc/38/68/68/635386868.db2.gz MKZUBFAQHOPMPB-JKSUJKDBSA-N 2 3 279.472 2.325 20 0 CEADHP CCC1([NH+]2CCC2)CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903953881 635386869 /nfs/dbraw/zinc/38/68/69/635386869.db2.gz MKZUBFAQHOPMPB-JKSUJKDBSA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000925488539 644186953 /nfs/dbraw/zinc/18/69/53/644186953.db2.gz KLGNNARQRDRYBQ-GJZGRUSLSA-N 2 3 267.461 2.371 20 0 CEADHP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCNC1 ZINC000866717345 647880265 /nfs/dbraw/zinc/88/02/65/647880265.db2.gz CCRXTXACYULFTR-QGZVFWFLSA-N 2 3 281.488 2.286 20 0 CEADHP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCNC1 ZINC000866717345 647880270 /nfs/dbraw/zinc/88/02/70/647880270.db2.gz CCRXTXACYULFTR-QGZVFWFLSA-N 2 3 281.488 2.286 20 0 CEADHP CC(C)(N)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231818 649603390 /nfs/dbraw/zinc/60/33/90/649603390.db2.gz DRFLSBYRECHEQG-ZFWWWQNUSA-N 2 3 267.461 2.343 20 0 CEADHP CC(C)(N)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231818 649603391 /nfs/dbraw/zinc/60/33/91/649603391.db2.gz DRFLSBYRECHEQG-ZFWWWQNUSA-N 2 3 267.461 2.343 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001167826097 804385719 /nfs/dbraw/zinc/38/57/19/804385719.db2.gz WIVUXDGYDWNPPE-BBWFWOEESA-N 2 3 281.488 2.380 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001167826097 804385728 /nfs/dbraw/zinc/38/57/28/804385728.db2.gz WIVUXDGYDWNPPE-BBWFWOEESA-N 2 3 281.488 2.380 20 0 CEADHP C[C@H]1C[N@H+](Cc2ccc3c(c2)CNC3)CCC[C@H]1C[NH3+] ZINC001206023566 811690973 /nfs/dbraw/zinc/69/09/73/811690973.db2.gz FUZZNJBKERUDOZ-ZFWWWQNUSA-N 2 3 273.424 2.097 20 0 CEADHP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CNC3)CCC[C@H]1C[NH3+] ZINC001206023566 811690979 /nfs/dbraw/zinc/69/09/79/811690979.db2.gz FUZZNJBKERUDOZ-ZFWWWQNUSA-N 2 3 273.424 2.097 20 0 CEADHP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246097114 813685158 /nfs/dbraw/zinc/68/51/58/813685158.db2.gz NKDBZUGQXKLTLH-WCVJEAGWSA-N 2 3 281.488 2.378 20 0 CEADHP C1CC2(C1)C[C@H]([N@@H+]1CCCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246522180 813889373 /nfs/dbraw/zinc/88/93/73/813889373.db2.gz IPJWLBAWUPOMIV-OAHLLOKOSA-N 2 3 277.456 2.127 20 0 CEADHP C1CC2(C1)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246522180 813889380 /nfs/dbraw/zinc/88/93/80/813889380.db2.gz IPJWLBAWUPOMIV-OAHLLOKOSA-N 2 3 277.456 2.127 20 0 CEADHP C(C[NH+]1CCC(N2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000051919100 362448978 /nfs/dbraw/zinc/44/89/78/362448978.db2.gz AJOHKCHSOUFKOQ-INIZCTEOSA-N 2 3 279.472 2.326 20 0 CEADHP C[C@@H]1C[C@@H](C[N@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732930 297248347 /nfs/dbraw/zinc/24/83/47/297248347.db2.gz JAUWKTCWZHZBSJ-WBVHZDCISA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H]1C[C@@H](C[N@@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732930 297248348 /nfs/dbraw/zinc/24/83/48/297248348.db2.gz JAUWKTCWZHZBSJ-WBVHZDCISA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H]1C[C@@H](CN(CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732930 297248349 /nfs/dbraw/zinc/24/83/49/297248349.db2.gz JAUWKTCWZHZBSJ-WBVHZDCISA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713527 297253337 /nfs/dbraw/zinc/25/33/37/297253337.db2.gz WBFDJPJBALXQBW-IXDOHACOSA-N 2 3 279.472 2.182 20 0 CEADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713527 297253339 /nfs/dbraw/zinc/25/33/39/297253339.db2.gz WBFDJPJBALXQBW-IXDOHACOSA-N 2 3 279.472 2.182 20 0 CEADHP C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC[NH+](C)CC1 ZINC000062078335 538751362 /nfs/dbraw/zinc/75/13/62/538751362.db2.gz KVFPKGISALNHOL-LSDHHAIUSA-N 2 3 267.461 2.038 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578248208 366468146 /nfs/dbraw/zinc/46/81/46/366468146.db2.gz YWDCUKCRVPCNGC-DLBZAZTESA-N 2 3 275.440 2.498 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578248208 366468149 /nfs/dbraw/zinc/46/81/49/366468149.db2.gz YWDCUKCRVPCNGC-DLBZAZTESA-N 2 3 275.440 2.498 20 0 CEADHP CC(C)N1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732257 368844164 /nfs/dbraw/zinc/84/41/64/368844164.db2.gz BRFYGLCSHRLIJR-OAHLLOKOSA-N 2 3 267.461 2.227 20 0 CEADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734254 375943195 /nfs/dbraw/zinc/94/31/95/375943195.db2.gz DJFVULNLALUSRW-OIISXLGYSA-N 2 3 279.472 2.038 20 0 CEADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734254 375943199 /nfs/dbraw/zinc/94/31/99/375943199.db2.gz DJFVULNLALUSRW-OIISXLGYSA-N 2 3 279.472 2.038 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423292912 377221823 /nfs/dbraw/zinc/22/18/23/377221823.db2.gz OXWWVIXIHQBHHQ-RCBQFDQVSA-N 2 3 261.413 2.313 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423292913 377222627 /nfs/dbraw/zinc/22/26/27/377222627.db2.gz OXWWVIXIHQBHHQ-VBNZEHGJSA-N 2 3 261.413 2.313 20 0 CEADHP C[NH+](C)Cc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000564470410 377396939 /nfs/dbraw/zinc/39/69/39/377396939.db2.gz LVLJPHSOXRCWOE-HOTGVXAUSA-N 2 3 261.413 2.108 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000414689642 394748329 /nfs/dbraw/zinc/74/83/29/394748329.db2.gz LJTUTHXOGSWOPM-OAHLLOKOSA-N 2 3 255.450 2.024 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+]C1CCN(C2CCCC2)CC1 ZINC000422839476 394822354 /nfs/dbraw/zinc/82/23/54/394822354.db2.gz QEJSJOFSWGEKLN-ZDUSSCGKSA-N 2 3 253.434 2.110 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422874414 394841838 /nfs/dbraw/zinc/84/18/38/394841838.db2.gz CUJFFSSGBCDFDD-HOTGVXAUSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422874226 394842020 /nfs/dbraw/zinc/84/20/20/394842020.db2.gz CIGPHZREAUMPEB-QKPAOTATSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422874226 394842023 /nfs/dbraw/zinc/84/20/23/394842023.db2.gz CIGPHZREAUMPEB-QKPAOTATSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422881720 394846867 /nfs/dbraw/zinc/84/68/67/394846867.db2.gz OCYRBURVYQYAKF-NUWOQIAWSA-N 2 3 281.488 2.462 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422886100 394850361 /nfs/dbraw/zinc/85/03/61/394850361.db2.gz WBRSWVBJJHROFQ-SJORKVTESA-N 2 3 281.488 2.476 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000422888058 394851174 /nfs/dbraw/zinc/85/11/74/394851174.db2.gz ZYMOYJXCOXNJPJ-BZUAXINKSA-N 2 3 269.477 2.462 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423545588 394948765 /nfs/dbraw/zinc/94/87/65/394948765.db2.gz YBDJIXGTTNEXMI-UHFFFAOYSA-N 2 3 265.445 2.149 20 0 CEADHP CC(C)CC[NH+]1CCC(CN[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550557 395733667 /nfs/dbraw/zinc/73/36/67/395733667.db2.gz XWFAASGOCOPCCZ-RDJZCZTQSA-N 2 3 281.488 2.332 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977962 395794448 /nfs/dbraw/zinc/79/44/48/395794448.db2.gz KFCSWABEWLERRY-IRXDYDNUSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977962 395794449 /nfs/dbraw/zinc/79/44/49/395794449.db2.gz KFCSWABEWLERRY-IRXDYDNUSA-N 2 3 281.488 2.430 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977962 395794450 /nfs/dbraw/zinc/79/44/50/395794450.db2.gz KFCSWABEWLERRY-IRXDYDNUSA-N 2 3 281.488 2.430 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000647987764 395796790 /nfs/dbraw/zinc/79/67/90/395796790.db2.gz YEXWVFODCNSCSD-DLBZAZTESA-N 2 3 279.472 2.230 20 0 CEADHP CC[N@H+](CCC1CCN(C[C@@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000647989916 395796877 /nfs/dbraw/zinc/79/68/77/395796877.db2.gz DWNRRLLSDJEUQJ-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP CC[N@@H+](CCC1CCN(C[C@@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000647989916 395796879 /nfs/dbraw/zinc/79/68/79/395796879.db2.gz DWNRRLLSDJEUQJ-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992982 395798278 /nfs/dbraw/zinc/79/82/78/395798278.db2.gz WOEIOZUIQZVIDW-IIAWOOMASA-N 2 3 267.461 2.071 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000647992982 395798280 /nfs/dbraw/zinc/79/82/80/395798280.db2.gz WOEIOZUIQZVIDW-IIAWOOMASA-N 2 3 267.461 2.071 20 0 CEADHP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000650748326 401023458 /nfs/dbraw/zinc/02/34/58/401023458.db2.gz RSSZMEYHNPZSQD-SOUVJXGZSA-N 2 3 265.445 2.016 20 0 CEADHP [NH3+][C@H]1C[C@H](NCCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762178 401036634 /nfs/dbraw/zinc/03/66/34/401036634.db2.gz VZSZZMAFTPSGFF-HOTGVXAUSA-N 2 3 259.397 2.111 20 0 CEADHP C[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1CC[NH3+] ZINC000652356082 401493076 /nfs/dbraw/zinc/49/30/76/401493076.db2.gz RRPWOXZCLAUEQC-KDOFPFPSSA-N 2 3 287.451 2.282 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000666955354 419492428 /nfs/dbraw/zinc/49/24/28/419492428.db2.gz BEVDLOXGFFMDIF-QLFBSQMISA-N 2 3 265.445 2.029 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925698123 628533861 /nfs/dbraw/zinc/53/38/61/628533861.db2.gz BZLFRIIPNJMDMK-BMFZPTHFSA-N 2 3 261.413 2.054 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925703922 628546995 /nfs/dbraw/zinc/54/69/95/628546995.db2.gz WEWKDTDKFFZNLU-DLBZAZTESA-N 2 3 279.472 2.134 20 0 CEADHP C[C@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727538 628646474 /nfs/dbraw/zinc/64/64/74/628646474.db2.gz HLBUMCHAFXTFGB-RRQGHBQHSA-N 2 3 279.472 2.132 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000903445409 635130198 /nfs/dbraw/zinc/13/01/98/635130198.db2.gz ZSCLTSOITNLVPQ-XHSDSOJGSA-N 2 3 265.445 2.064 20 0 CEADHP [NH3+]CCCCCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843363302 640405253 /nfs/dbraw/zinc/40/52/53/640405253.db2.gz VSFPTFCNBUPJAF-JKSUJKDBSA-N 2 3 267.461 2.360 20 0 CEADHP CC(C)[C@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246800210 814260991 /nfs/dbraw/zinc/26/09/91/814260991.db2.gz WLFZELHJKLNAJX-JKSUJKDBSA-N 2 3 267.461 2.085 20 0 CEADHP CC(C)[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246800210 814260995 /nfs/dbraw/zinc/26/09/95/814260995.db2.gz WLFZELHJKLNAJX-JKSUJKDBSA-N 2 3 267.461 2.085 20 0 CEADHP CC(C)(C)[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CCN1 ZINC001246109890 813703816 /nfs/dbraw/zinc/70/38/16/813703816.db2.gz LBLIDGJRUADKGE-HUUCEWRRSA-N 2 3 267.461 2.132 20 0 CEADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CCN1 ZINC001246109901 813703887 /nfs/dbraw/zinc/70/38/87/813703887.db2.gz LBLIDGJRUADKGE-LSDHHAIUSA-N 2 3 267.461 2.132 20 0 CEADHP C(C1CC1)C1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246380151 813807850 /nfs/dbraw/zinc/80/78/50/813807850.db2.gz FWSBKPNQYSEXFZ-UHFFFAOYSA-N 2 3 291.483 2.421 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339075598 539658326 /nfs/dbraw/zinc/65/83/26/539658326.db2.gz PRXLKULUYORYKI-IRXDYDNUSA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339075598 539658329 /nfs/dbraw/zinc/65/83/29/539658329.db2.gz PRXLKULUYORYKI-IRXDYDNUSA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339075598 539658330 /nfs/dbraw/zinc/65/83/30/539658330.db2.gz PRXLKULUYORYKI-IRXDYDNUSA-N 2 3 279.472 2.325 20 0 CEADHP CCC1([NH+](C)C)CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000635001641 369037182 /nfs/dbraw/zinc/03/71/82/369037182.db2.gz XDEZZKHVOGMJAP-LSDHHAIUSA-N 2 3 267.461 2.181 20 0 CEADHP CCC1(N(C)C)CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000635001641 369037190 /nfs/dbraw/zinc/03/71/90/369037190.db2.gz XDEZZKHVOGMJAP-LSDHHAIUSA-N 2 3 267.461 2.181 20 0 CEADHP C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC[NH+](C)CC1 ZINC000643523469 373177976 /nfs/dbraw/zinc/17/79/76/373177976.db2.gz PKNWBOAEZDMUGS-ZDUSSCGKSA-N 2 3 273.424 2.110 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704657 375932404 /nfs/dbraw/zinc/93/24/04/375932404.db2.gz KROYRHBQFZGVSL-PMPSAXMXSA-N 2 3 267.461 2.038 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704657 375932412 /nfs/dbraw/zinc/93/24/12/375932412.db2.gz KROYRHBQFZGVSL-PMPSAXMXSA-N 2 3 267.461 2.038 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000414971616 376014224 /nfs/dbraw/zinc/01/42/24/376014224.db2.gz WRCSGDGQWWLSTL-OAGGEKHMSA-N 2 3 267.461 2.419 20 0 CEADHP CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422735542 394747090 /nfs/dbraw/zinc/74/70/90/394747090.db2.gz FEACFVCHAFEKNV-CABCVRRESA-N 2 3 255.450 2.214 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422838713 394822593 /nfs/dbraw/zinc/82/25/93/394822593.db2.gz PAJJBJSJMZAGNL-DLBZAZTESA-N 2 3 281.488 2.462 20 0 CEADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422806705 394799581 /nfs/dbraw/zinc/79/95/81/394799581.db2.gz LBFVLMSOTDTMMD-LSDHHAIUSA-N 2 3 275.440 2.498 20 0 CEADHP CC(C)CC[NH+]1CCC(CN[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550555 395733620 /nfs/dbraw/zinc/73/36/20/395733620.db2.gz XWFAASGOCOPCCZ-DOTOQJQBSA-N 2 3 281.488 2.332 20 0 CEADHP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000650748323 401023565 /nfs/dbraw/zinc/02/35/65/401023565.db2.gz RSSZMEYHNPZSQD-QLFBSQMISA-N 2 3 265.445 2.016 20 0 CEADHP CC1CCN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401002167 414748532 /nfs/dbraw/zinc/74/85/32/414748532.db2.gz BYETULMEDCWAQP-GVDBMIGSSA-N 2 3 279.472 2.086 20 0 CEADHP CC(C)[C@H]([NH3+])CCNCc1ccc(OCC[NH+](C)C)cc1 ZINC000663497575 414971471 /nfs/dbraw/zinc/97/14/71/414971471.db2.gz CFANEUWOHAHBSI-QGZVFWFLSA-N 2 3 293.455 2.090 20 0 CEADHP C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815225 415092199 /nfs/dbraw/zinc/09/21/99/415092199.db2.gz NFJAVBJFICVCLD-ROUUACIJSA-N 2 3 291.483 2.325 20 0 CEADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN(CC2CC2)C1 ZINC000665300015 415689170 /nfs/dbraw/zinc/68/91/70/415689170.db2.gz WMJWLVXEIXNPDO-BRSBDYLESA-N 2 3 291.483 2.086 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422735493 270745509 /nfs/dbraw/zinc/74/55/09/270745509.db2.gz DWVCFENWIDGKLE-ZIAGYGMSSA-N 2 3 263.429 2.354 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422735493 270745511 /nfs/dbraw/zinc/74/55/11/270745511.db2.gz DWVCFENWIDGKLE-ZIAGYGMSSA-N 2 3 263.429 2.354 20 0 CEADHP C[NH+]1CCC(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000229937344 277026493 /nfs/dbraw/zinc/02/64/93/277026493.db2.gz NPBLZYCKIMACGZ-SJORKVTESA-N 2 3 273.424 2.453 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422838714 280932113 /nfs/dbraw/zinc/93/21/13/280932113.db2.gz PAJJBJSJMZAGNL-IAGOWNOFSA-N 2 3 281.488 2.462 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000423448367 281045773 /nfs/dbraw/zinc/04/57/73/281045773.db2.gz FATIFSRGZIYURY-HUUCEWRRSA-N 2 3 293.455 2.405 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465278 281048759 /nfs/dbraw/zinc/04/87/59/281048759.db2.gz HMXGTQQMGHQSJY-UAXWRAGISA-N 2 3 259.397 2.238 20 0 CEADHP C[C@@H]1C[C@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716562 297399801 /nfs/dbraw/zinc/39/98/01/297399801.db2.gz WWYBILGDQZMMPL-ZACQAIPSSA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+](CC)C[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899672 635335018 /nfs/dbraw/zinc/33/50/18/635335018.db2.gz WDKUOMVWGJDUKD-MGNMYUMUSA-N 2 3 279.472 2.181 20 0 CEADHP CCN(CC)C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899672 635335021 /nfs/dbraw/zinc/33/50/21/635335021.db2.gz WDKUOMVWGJDUKD-MGNMYUMUSA-N 2 3 279.472 2.181 20 0 CEADHP CCN(CC)C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899672 635335026 /nfs/dbraw/zinc/33/50/26/635335026.db2.gz WDKUOMVWGJDUKD-MGNMYUMUSA-N 2 3 279.472 2.181 20 0 CEADHP C[C@@H](NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000715553482 814979444 /nfs/dbraw/zinc/97/94/44/814979444.db2.gz RUDPLGQTWAJKKC-CIDNJEQPSA-N 2 3 267.461 2.370 20 0 CEADHP CC[NH+]1CCC(NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001169224731 811437780 /nfs/dbraw/zinc/43/77/80/811437780.db2.gz NCKBPAKLXJGATM-UHFFFAOYSA-N 2 3 275.440 2.322 20 0 CEADHP CC[C@H]1C[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202878 813727392 /nfs/dbraw/zinc/72/73/92/813727392.db2.gz SDZWJHRNDOIIRM-LJISPDSOSA-N 2 3 253.434 2.014 20 0 CEADHP C1CC2(C1)C[C@@H]([N@@H+]1CCCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246522168 813889084 /nfs/dbraw/zinc/88/90/84/813889084.db2.gz IPJWLBAWUPOMIV-HNNXBMFYSA-N 2 3 277.456 2.127 20 0 CEADHP C1CC2(C1)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CCN2 ZINC001246522168 813889096 /nfs/dbraw/zinc/88/90/96/813889096.db2.gz IPJWLBAWUPOMIV-HNNXBMFYSA-N 2 3 277.456 2.127 20 0 CEADHP CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246568378 814071294 /nfs/dbraw/zinc/07/12/94/814071294.db2.gz OAMGLSFHNCNTDT-JYJNAYRXSA-N 2 3 269.477 2.414 20 0 CEADHP CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246568378 814071301 /nfs/dbraw/zinc/07/13/01/814071301.db2.gz OAMGLSFHNCNTDT-JYJNAYRXSA-N 2 3 269.477 2.414 20 0 CEADHP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646974 814244019 /nfs/dbraw/zinc/24/40/19/814244019.db2.gz REEDGNNESUTXOE-IXDOHACOSA-N 2 3 279.472 2.371 20 0 CEADHP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646974 814244027 /nfs/dbraw/zinc/24/40/27/814244027.db2.gz REEDGNNESUTXOE-IXDOHACOSA-N 2 3 279.472 2.371 20 0 CEADHP CCC1(N(C)C)CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000631865889 367600136 /nfs/dbraw/zinc/60/01/36/367600136.db2.gz QLGHFILYOVTJQH-OAHLLOKOSA-N 2 3 267.461 2.182 20 0 CEADHP C[NH+]1CCC(C)(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000226344958 370337066 /nfs/dbraw/zinc/33/70/66/370337066.db2.gz FMLLEGAADIVWLS-JKSUJKDBSA-N 2 3 273.424 2.453 20 0 CEADHP C[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423225269 377141199 /nfs/dbraw/zinc/14/11/99/377141199.db2.gz LZHYKLNEBKARHO-KBPBESRZSA-N 2 3 279.428 2.015 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422737393 394748262 /nfs/dbraw/zinc/74/82/62/394748262.db2.gz HXQOMIFXLBVCCI-HOTGVXAUSA-N 2 3 267.461 2.216 20 0 CEADHP CCCC[N@H+](C)CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411665 396145975 /nfs/dbraw/zinc/14/59/75/396145975.db2.gz PRMOBYLKMXROIZ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCCC[N@@H+](C)CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411665 396145980 /nfs/dbraw/zinc/14/59/80/396145980.db2.gz PRMOBYLKMXROIZ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCCC[N@H+](C)CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411664 396146138 /nfs/dbraw/zinc/14/61/38/396146138.db2.gz PRMOBYLKMXROIZ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCCC[N@@H+](C)CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411664 396146142 /nfs/dbraw/zinc/14/61/42/396146142.db2.gz PRMOBYLKMXROIZ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363507 401495149 /nfs/dbraw/zinc/49/51/49/401495149.db2.gz GPFJQUIOSOQRCF-GVDBMIGSSA-N 2 3 297.487 2.079 20 0 CEADHP CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363507 401495154 /nfs/dbraw/zinc/49/51/54/401495154.db2.gz GPFJQUIOSOQRCF-GVDBMIGSSA-N 2 3 297.487 2.079 20 0 CEADHP C[NH+]1CCC(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000132065140 277026624 /nfs/dbraw/zinc/02/66/24/277026624.db2.gz VCMCYAHNEXQUKC-JKSUJKDBSA-N 2 3 259.397 2.063 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422874415 280944064 /nfs/dbraw/zinc/94/40/64/280944064.db2.gz CUJFFSSGBCDFDD-HZPDHXFCSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000423043707 281006156 /nfs/dbraw/zinc/00/61/56/281006156.db2.gz PTCGSKZNSQLIRP-QLFBSQMISA-N 2 3 267.461 2.356 20 0 CEADHP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465276 281048793 /nfs/dbraw/zinc/04/87/93/281048793.db2.gz HMXGTQQMGHQSJY-OJDYBEQGSA-N 2 3 259.397 2.238 20 0 CEADHP NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882773 628981703 /nfs/dbraw/zinc/98/17/03/628981703.db2.gz UGTBBPGGBLNGNW-BGTYHANMSA-N 2 3 287.451 2.153 20 0 CEADHP C[C@]1(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377537 635603166 /nfs/dbraw/zinc/60/31/66/635603166.db2.gz RYWWNJGDVPBWSW-SJORKVTESA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377537 635603173 /nfs/dbraw/zinc/60/31/73/635603173.db2.gz RYWWNJGDVPBWSW-SJORKVTESA-N 2 3 279.472 2.088 20 0 CEADHP C[C@H]1CCC[N@H+](CCCCCCC[NH3+])[C@H]1CCN ZINC000846226541 641234610 /nfs/dbraw/zinc/23/46/10/641234610.db2.gz OUPLXKOWSJLJQY-GJZGRUSLSA-N 2 3 255.450 2.345 20 0 CEADHP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CCN ZINC000846226541 641234619 /nfs/dbraw/zinc/23/46/19/641234619.db2.gz OUPLXKOWSJLJQY-GJZGRUSLSA-N 2 3 255.450 2.345 20 0 CEADHP C[C@H](Cc1ccccc1F)NCCC[NH2+]CCCC[NH3+] ZINC001246457553 813832433 /nfs/dbraw/zinc/83/24/33/813832433.db2.gz OLKDCEZAANFSLD-CQSZACIVSA-N 2 3 281.419 2.065 20 0 CEADHP CCCC[C@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)CCN1 ZINC001246499371 813869201 /nfs/dbraw/zinc/86/92/01/813869201.db2.gz XPUNUODMVCNUOX-KBMXLJTQSA-N 2 3 267.461 2.275 20 0 CEADHP CCCN1CC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000151141070 539766426 /nfs/dbraw/zinc/76/64/26/539766426.db2.gz CBDKYHIPVGVWMK-GJZGRUSLSA-N 2 3 267.461 2.038 20 0 CEADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCCC[NH3+] ZINC000415118818 540250629 /nfs/dbraw/zinc/25/06/29/540250629.db2.gz JXDFIHGIFIFGJZ-OAHLLOKOSA-N 2 3 275.440 2.499 20 0 CEADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCCC[NH3+] ZINC000415118818 540250634 /nfs/dbraw/zinc/25/06/34/540250634.db2.gz JXDFIHGIFIFGJZ-OAHLLOKOSA-N 2 3 275.440 2.499 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578248210 366468891 /nfs/dbraw/zinc/46/88/91/366468891.db2.gz YWDCUKCRVPCNGC-IRXDYDNUSA-N 2 3 275.440 2.498 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578248210 366468900 /nfs/dbraw/zinc/46/89/00/366468900.db2.gz YWDCUKCRVPCNGC-IRXDYDNUSA-N 2 3 275.440 2.498 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010395 369046333 /nfs/dbraw/zinc/04/63/33/369046333.db2.gz ZRCHGUUMYLILDZ-GOEBONIOSA-N 2 3 263.429 2.054 20 0 CEADHP C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000635009016 369045070 /nfs/dbraw/zinc/04/50/70/369045070.db2.gz GAYCLMRRRDSGDU-ZFWWWQNUSA-N 2 3 267.461 2.085 20 0 CEADHP C[N@@H+]1CCC[C@H](CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423165235 377069292 /nfs/dbraw/zinc/06/92/92/377069292.db2.gz AWYOLEHHLNMTIJ-XYPHTWIQSA-N 2 3 273.424 2.453 20 0 CEADHP C[N@H+]1CCC[C@H](CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423165235 377069295 /nfs/dbraw/zinc/06/92/95/377069295.db2.gz AWYOLEHHLNMTIJ-XYPHTWIQSA-N 2 3 273.424 2.453 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422782310 394780654 /nfs/dbraw/zinc/78/06/54/394780654.db2.gz JTFIHMFMCSJQTG-GOEBONIOSA-N 2 3 267.461 2.086 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874225 394842497 /nfs/dbraw/zinc/84/24/97/394842497.db2.gz CIGPHZREAUMPEB-FZKCQIBNSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874225 394842503 /nfs/dbraw/zinc/84/25/03/394842503.db2.gz CIGPHZREAUMPEB-FZKCQIBNSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422874938 394843179 /nfs/dbraw/zinc/84/31/79/394843179.db2.gz DQDWGLOPRUMSHW-ZNMIVQPWSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422874938 394843183 /nfs/dbraw/zinc/84/31/83/394843183.db2.gz DQDWGLOPRUMSHW-ZNMIVQPWSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422884611 394849233 /nfs/dbraw/zinc/84/92/33/394849233.db2.gz SEFDBFHNWPUIOO-OAGGEKHMSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422884611 394849236 /nfs/dbraw/zinc/84/92/36/394849236.db2.gz SEFDBFHNWPUIOO-OAGGEKHMSA-N 2 3 267.461 2.216 20 0 CEADHP CC[N@H+](CCC1CCN(CCC[NH3+])CC1)CC(C)C ZINC000420380977 395365532 /nfs/dbraw/zinc/36/55/32/395365532.db2.gz XEFKJCIPFFXBCN-UHFFFAOYSA-N 2 3 269.477 2.415 20 0 CEADHP CC[N@@H+](CCC1CCN(CCC[NH3+])CC1)CC(C)C ZINC000420380977 395365535 /nfs/dbraw/zinc/36/55/35/395365535.db2.gz XEFKJCIPFFXBCN-UHFFFAOYSA-N 2 3 269.477 2.415 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000663495243 414969995 /nfs/dbraw/zinc/96/99/95/414969995.db2.gz WICLTZDQPNRORZ-NVXWUHKLSA-N 2 3 275.440 2.083 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000663495243 414970000 /nfs/dbraw/zinc/97/00/00/414970000.db2.gz WICLTZDQPNRORZ-NVXWUHKLSA-N 2 3 275.440 2.083 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000423448342 281045720 /nfs/dbraw/zinc/04/57/20/281045720.db2.gz FATIFSRGZIYURY-CABCVRRESA-N 2 3 293.455 2.405 20 0 CEADHP NC[C@H]1CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000564825475 298851192 /nfs/dbraw/zinc/85/11/92/298851192.db2.gz KGTUILKCUSVKKM-NVXWUHKLSA-N 2 3 288.439 2.015 20 0 CEADHP [NH3+]CCC[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925705895 628551923 /nfs/dbraw/zinc/55/19/23/628551923.db2.gz IYFFNFMTEQJNNI-XHSDSOJGSA-N 2 3 273.424 2.326 20 0 CEADHP [NH3+]CCC[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925705892 628551936 /nfs/dbraw/zinc/55/19/36/628551936.db2.gz IYFFNFMTEQJNNI-JYJNAYRXSA-N 2 3 273.424 2.326 20 0 CEADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3C[C@H](C[NH3+])C3)CC2)C1 ZINC000902488713 634703996 /nfs/dbraw/zinc/70/39/96/634703996.db2.gz MTHNWXNATYBCDB-MUIFIZLQSA-N 2 3 279.472 2.356 20 0 CEADHP CC(C)CCN1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000924964694 629304028 /nfs/dbraw/zinc/30/40/28/629304028.db2.gz SKUGRPXGOMYSSH-UHFFFAOYSA-N 2 3 281.488 2.428 20 0 CEADHP C[NH+](C)CC[C@@H](NCC1CC[NH+](C)CC1)c1cccnc1 ZINC000896717550 630648729 /nfs/dbraw/zinc/64/87/29/630648729.db2.gz SBHWSSGMSLSXTI-QGZVFWFLSA-N 2 3 290.455 2.006 20 0 CEADHP NCCC[N@H+](CC1CCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916704 635364941 /nfs/dbraw/zinc/36/49/41/635364941.db2.gz IUJKVRLPJRGQPJ-ALOPSCKCSA-N 2 3 279.472 2.358 20 0 CEADHP NCCC[N@@H+](CC1CCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916704 635364943 /nfs/dbraw/zinc/36/49/43/635364943.db2.gz IUJKVRLPJRGQPJ-ALOPSCKCSA-N 2 3 279.472 2.358 20 0 CEADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000126168374 650443852 /nfs/dbraw/zinc/44/38/52/650443852.db2.gz BSKNEQBARFYRFY-UHFFFAOYSA-N 2 3 267.461 2.038 20 0 CEADHP C(CN1CC[NH2+]CCC12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923422898 643703147 /nfs/dbraw/zinc/70/31/47/643703147.db2.gz NMCBRPIPZUIVSH-MQVJKMGUSA-N 2 3 277.456 2.125 20 0 CEADHP C[NH2+]CCCN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157697 649300161 /nfs/dbraw/zinc/30/01/61/649300161.db2.gz PRRYXPZYNFXLMD-GOEBONIOSA-N 2 3 267.461 2.216 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398966127 802929098 /nfs/dbraw/zinc/92/90/98/802929098.db2.gz RBMRDNVMUFLXFN-QLFBSQMISA-N 2 3 255.450 2.227 20 0 CEADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715216680 807743199 /nfs/dbraw/zinc/74/31/99/807743199.db2.gz CKCHRSMTBTYSEB-GYTBAZASSA-N 2 3 267.461 2.322 20 0 CEADHP CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000703596159 809667308 /nfs/dbraw/zinc/66/73/08/809667308.db2.gz VXWMVGOKSJXUMY-OWCLPIDISA-N 2 3 279.472 2.085 20 0 CEADHP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)CCN1 ZINC001246254174 813753866 /nfs/dbraw/zinc/75/38/66/813753866.db2.gz XPUNUODMVCNUOX-IMJJTQAJSA-N 2 3 267.461 2.275 20 0 CEADHP CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246568388 814071068 /nfs/dbraw/zinc/07/10/68/814071068.db2.gz OAMGLSFHNCNTDT-OWCLPIDISA-N 2 3 269.477 2.414 20 0 CEADHP CCN(CC)CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246568388 814071074 /nfs/dbraw/zinc/07/10/74/814071074.db2.gz OAMGLSFHNCNTDT-OWCLPIDISA-N 2 3 269.477 2.414 20 0 CEADHP NC[C@H]1CCCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246583822 814165788 /nfs/dbraw/zinc/16/57/88/814165788.db2.gz SDHOHCQPZUUCSQ-KLAILNCOSA-N 2 3 279.472 2.360 20 0 CEADHP NC[C@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246583822 814165795 /nfs/dbraw/zinc/16/57/95/814165795.db2.gz SDHOHCQPZUUCSQ-KLAILNCOSA-N 2 3 279.472 2.360 20 0 CEADHP C1CC2(C1)C[C@@H](N1CCC[C@]13CCC[NH2+]CC3)CC[NH2+]2 ZINC001246604881 814204558 /nfs/dbraw/zinc/20/45/58/814204558.db2.gz JBAKKUAGALZITH-RDJZCZTQSA-N 2 3 277.456 2.269 20 0 CEADHP C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC[NH+](C)CC1 ZINC000624120795 350199146 /nfs/dbraw/zinc/19/91/46/350199146.db2.gz HAQQFSZGBQSAMV-LSDHHAIUSA-N 2 3 267.461 2.038 20 0 CEADHP [NH3+]CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000577626459 314397862 /nfs/dbraw/zinc/39/78/62/314397862.db2.gz GSWFWBUNLURHGF-PMPSAXMXSA-N 2 3 261.413 2.326 20 0 CEADHP CCCN1CC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675765331 540871852 /nfs/dbraw/zinc/87/18/52/540871852.db2.gz CBDKYHIPVGVWMK-CABCVRRESA-N 2 3 267.461 2.038 20 0 CEADHP CCN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733401 368844632 /nfs/dbraw/zinc/84/46/32/368844632.db2.gz DYYHGDRVSCTUFT-ILXRZTDVSA-N 2 3 267.461 2.085 20 0 CEADHP c1cc(CNC2CC[NH+](C3CC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000635005603 369041975 /nfs/dbraw/zinc/04/19/75/369041975.db2.gz VOQIDADKJAEVNX-UHFFFAOYSA-N 2 3 285.435 2.049 20 0 CEADHP CC[NH+](CC)C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359217593 371380401 /nfs/dbraw/zinc/38/04/01/371380401.db2.gz SKGNOGIOCXGQJK-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217593 371380405 /nfs/dbraw/zinc/38/04/05/371380405.db2.gz SKGNOGIOCXGQJK-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217593 371380408 /nfs/dbraw/zinc/38/04/08/371380408.db2.gz SKGNOGIOCXGQJK-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423295985 377225794 /nfs/dbraw/zinc/22/57/94/377225794.db2.gz YCCVZELPDKWFNG-WWGRRREGSA-N 2 3 261.413 2.184 20 0 CEADHP C[C@H]1CCCCN1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422754727 394761067 /nfs/dbraw/zinc/76/10/67/394761067.db2.gz ASEBQNUBBCGECB-FHERZECASA-N 2 3 267.461 2.358 20 0 CEADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422778551 394777759 /nfs/dbraw/zinc/77/77/59/394777759.db2.gz DUMOARGJAYWPOZ-IRXDYDNUSA-N 2 3 275.440 2.498 20 0 CEADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422778548 394777821 /nfs/dbraw/zinc/77/78/21/394777821.db2.gz DUMOARGJAYWPOZ-DLBZAZTESA-N 2 3 275.440 2.498 20 0 CEADHP N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794164 394791675 /nfs/dbraw/zinc/79/16/75/394791675.db2.gz YIIYBHQATIDRBN-SJORKVTESA-N 2 3 273.424 2.252 20 0 CEADHP CC(C)C[C@@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415051913 394864687 /nfs/dbraw/zinc/86/46/87/394864687.db2.gz JXOYAGJWNWWUKJ-CVEARBPZSA-N 2 3 263.429 2.430 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422876592 394844960 /nfs/dbraw/zinc/84/49/60/394844960.db2.gz GLFGXOZQWGSDAN-VGWMRTNUSA-N 2 3 269.477 2.460 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422876593 394844967 /nfs/dbraw/zinc/84/49/67/394844967.db2.gz GLFGXOZQWGSDAN-WCVJEAGWSA-N 2 3 269.477 2.460 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423461984 394927173 /nfs/dbraw/zinc/92/71/73/394927173.db2.gz DBYKWJPUVLSIIN-UKPHBRMFSA-N 2 3 293.430 2.236 20 0 CEADHP C1=C(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC[NH2+]C1 ZINC000423534682 394946930 /nfs/dbraw/zinc/94/69/30/394946930.db2.gz AQJBVIZAFVHOPL-IXDOHACOSA-N 2 3 277.456 2.197 20 0 CEADHP [NH3+]CCCN(CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420305462 395309610 /nfs/dbraw/zinc/30/96/10/395309610.db2.gz GJQNWBYKGMLYQN-MRXNPFEDSA-N 2 3 275.440 2.227 20 0 CEADHP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000647793669 395755804 /nfs/dbraw/zinc/75/58/04/395755804.db2.gz DHAAPVIOPAVSAA-YYIAUSFCSA-N 2 3 279.472 2.229 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977960 395794258 /nfs/dbraw/zinc/79/42/58/395794258.db2.gz KFCSWABEWLERRY-DLBZAZTESA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977960 395794260 /nfs/dbraw/zinc/79/42/60/395794260.db2.gz KFCSWABEWLERRY-DLBZAZTESA-N 2 3 281.488 2.430 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977960 395794262 /nfs/dbraw/zinc/79/42/62/395794262.db2.gz KFCSWABEWLERRY-DLBZAZTESA-N 2 3 281.488 2.430 20 0 CEADHP C[NH+]1CCC(C)(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000226344948 277025476 /nfs/dbraw/zinc/02/54/76/277025476.db2.gz FMLLEGAADIVWLS-HZPDHXFCSA-N 2 3 273.424 2.453 20 0 CEADHP CCCN(Cc1ccc2c(c1)C[NH2+]CC2)C1CC[NH2+]CC1 ZINC000571453677 314090894 /nfs/dbraw/zinc/09/08/94/314090894.db2.gz YIPQVPVGPGOESZ-UHFFFAOYSA-N 2 3 287.451 2.296 20 0 CEADHP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000580639560 322331891 /nfs/dbraw/zinc/33/18/91/322331891.db2.gz NBMMBQAESLRRHB-JZAWBGDQSA-N 2 3 279.472 2.404 20 0 CEADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925686444 628491791 /nfs/dbraw/zinc/49/17/91/628491791.db2.gz UGSCKLJWUIRORU-KBAYOESNSA-N 2 3 293.499 2.476 20 0 CEADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925686444 628491793 /nfs/dbraw/zinc/49/17/93/628491793.db2.gz UGSCKLJWUIRORU-KBAYOESNSA-N 2 3 293.499 2.476 20 0 CEADHP C[C@@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727534 628646661 /nfs/dbraw/zinc/64/66/61/628646661.db2.gz HLBUMCHAFXTFGB-COXVUDFISA-N 2 3 279.472 2.132 20 0 CEADHP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388549 635597910 /nfs/dbraw/zinc/59/79/10/635597910.db2.gz KCJRASBKRLMBFT-MCIONIFRSA-N 2 3 255.450 2.057 20 0 CEADHP C[C@]1(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377536 635603418 /nfs/dbraw/zinc/60/34/18/635603418.db2.gz RYWWNJGDVPBWSW-IRXDYDNUSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377536 635603420 /nfs/dbraw/zinc/60/34/20/635603420.db2.gz RYWWNJGDVPBWSW-IRXDYDNUSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000904416930 635621367 /nfs/dbraw/zinc/62/13/67/635621367.db2.gz UIOQIQGQZWMYDO-WBVHZDCISA-N 2 3 279.472 2.088 20 0 CEADHP CC[NH+](CC)C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220216 641229738 /nfs/dbraw/zinc/22/97/38/641229738.db2.gz KYYCAAUBZHLFHL-OAHLLOKOSA-N 2 3 255.450 2.169 20 0 CEADHP CC[NH+](CC)C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246090158 813679176 /nfs/dbraw/zinc/67/91/76/813679176.db2.gz JNVBFGHLMFKWJV-PCKAHOCUSA-N 2 3 267.461 2.371 20 0 CEADHP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@H]1C[NH3+] ZINC001246565706 814057095 /nfs/dbraw/zinc/05/70/95/814057095.db2.gz ICAAJBYTGKLHPM-QKPAOTATSA-N 2 3 281.488 2.460 20 0 CEADHP C[C@@H]1C[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC[C@H]1C[NH3+] ZINC001246565706 814057100 /nfs/dbraw/zinc/05/71/00/814057100.db2.gz ICAAJBYTGKLHPM-QKPAOTATSA-N 2 3 281.488 2.460 20 0 CEADHP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646967 814243854 /nfs/dbraw/zinc/24/38/54/814243854.db2.gz REEDGNNESUTXOE-BRWVUGGUSA-N 2 3 279.472 2.371 20 0 CEADHP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646967 814243860 /nfs/dbraw/zinc/24/38/60/814243860.db2.gz REEDGNNESUTXOE-BRWVUGGUSA-N 2 3 279.472 2.371 20 0 CEADHP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001276404010 816429692 /nfs/dbraw/zinc/42/96/92/816429692.db2.gz MPILNCKNIFSLSP-OKILXGFUSA-N 2 3 284.407 2.337 20 0 CEADHP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001276404010 816429695 /nfs/dbraw/zinc/42/96/95/816429695.db2.gz MPILNCKNIFSLSP-OKILXGFUSA-N 2 3 284.407 2.337 20 0 CEADHP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001276404010 816429699 /nfs/dbraw/zinc/42/96/99/816429699.db2.gz MPILNCKNIFSLSP-OKILXGFUSA-N 2 3 284.407 2.337 20 0 CEADHP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001276404010 816429704 /nfs/dbraw/zinc/42/97/04/816429704.db2.gz MPILNCKNIFSLSP-OKILXGFUSA-N 2 3 284.407 2.337 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578248209 366468780 /nfs/dbraw/zinc/46/87/80/366468780.db2.gz YWDCUKCRVPCNGC-IAGOWNOFSA-N 2 3 275.440 2.498 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578248209 366468782 /nfs/dbraw/zinc/46/87/82/366468782.db2.gz YWDCUKCRVPCNGC-IAGOWNOFSA-N 2 3 275.440 2.498 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010396 369047144 /nfs/dbraw/zinc/04/71/44/369047144.db2.gz ZRCHGUUMYLILDZ-HOCLYGCPSA-N 2 3 263.429 2.054 20 0 CEADHP C[NH+]1CCC(C)(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000226344953 370337037 /nfs/dbraw/zinc/33/70/37/370337037.db2.gz FMLLEGAADIVWLS-CVEARBPZSA-N 2 3 273.424 2.453 20 0 CEADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000423218495 377133421 /nfs/dbraw/zinc/13/34/21/377133421.db2.gz UOAZIBZVXRORFF-LXPRWKDFSA-N 2 3 287.451 2.381 20 0 CEADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000423218495 377133428 /nfs/dbraw/zinc/13/34/28/377133428.db2.gz UOAZIBZVXRORFF-LXPRWKDFSA-N 2 3 287.451 2.381 20 0 CEADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000423218494 377133879 /nfs/dbraw/zinc/13/38/79/377133879.db2.gz UOAZIBZVXRORFF-ADKAHSJRSA-N 2 3 287.451 2.381 20 0 CEADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000423218494 377133888 /nfs/dbraw/zinc/13/38/88/377133888.db2.gz UOAZIBZVXRORFF-ADKAHSJRSA-N 2 3 287.451 2.381 20 0 CEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422867247 394838332 /nfs/dbraw/zinc/83/83/32/394838332.db2.gz RUUYUXWKFGVWOU-XYPHTWIQSA-N 2 3 291.439 2.078 20 0 CEADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422913424 394860810 /nfs/dbraw/zinc/86/08/10/394860810.db2.gz QBOJABQYSLCBJJ-IRXDYDNUSA-N 2 3 275.440 2.496 20 0 CEADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422913424 394860813 /nfs/dbraw/zinc/86/08/13/394860813.db2.gz QBOJABQYSLCBJJ-IRXDYDNUSA-N 2 3 275.440 2.496 20 0 CEADHP NCCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000420316766 395320196 /nfs/dbraw/zinc/32/01/96/395320196.db2.gz NQKRASVMQPZFQB-HNNXBMFYSA-N 2 3 267.461 2.217 20 0 CEADHP NCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000420316766 395320197 /nfs/dbraw/zinc/32/01/97/395320197.db2.gz NQKRASVMQPZFQB-HNNXBMFYSA-N 2 3 267.461 2.217 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000650761971 401036295 /nfs/dbraw/zinc/03/62/95/401036295.db2.gz OUFOAEYYHLOURW-BBWFWOEESA-N 2 3 279.472 2.277 20 0 CEADHP CCCN(Cc1cccc2c1CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000662262336 415730047 /nfs/dbraw/zinc/73/00/47/415730047.db2.gz FYFGSTWFZSKSFQ-UHFFFAOYSA-N 2 3 287.451 2.296 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422734339 270745089 /nfs/dbraw/zinc/74/50/89/270745089.db2.gz CMSVRYHBBWWCGF-GDBMZVCRSA-N 2 3 267.461 2.086 20 0 CEADHP CC(C)(C)N1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415000416 278341613 /nfs/dbraw/zinc/34/16/13/278341613.db2.gz KFVHNCFRBOTYBM-KBPBESRZSA-N 2 3 267.461 2.356 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000423463783 281047621 /nfs/dbraw/zinc/04/76/21/281047621.db2.gz VFKKDCCFPXLYPP-GJZGRUSLSA-N 2 3 293.455 2.405 20 0 CEADHP C[NH+](C)CCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161942259 289108203 /nfs/dbraw/zinc/10/82/03/289108203.db2.gz NTJPQVYBLBTLJV-MRXNPFEDSA-N 2 3 267.461 2.134 20 0 CEADHP C[NH+](C)CCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161942259 289108206 /nfs/dbraw/zinc/10/82/06/289108206.db2.gz NTJPQVYBLBTLJV-MRXNPFEDSA-N 2 3 267.461 2.134 20 0 CEADHP CN1CCC[C@@H]1CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000161942259 289108208 /nfs/dbraw/zinc/10/82/08/289108208.db2.gz NTJPQVYBLBTLJV-MRXNPFEDSA-N 2 3 267.461 2.134 20 0 CEADHP C[C@H]1CCC[C@H](N2CCC([NH2+][C@H]3C[C@H](C[NH3+])C3)CC2)C1 ZINC000902488715 634703685 /nfs/dbraw/zinc/70/36/85/634703685.db2.gz MTHNWXNATYBCDB-OTRWWLKZSA-N 2 3 279.472 2.356 20 0 CEADHP C[C@H]([NH3+])c1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000904351485 635585425 /nfs/dbraw/zinc/58/54/25/635585425.db2.gz ZTQSAGCAJJKRQD-ZDUSSCGKSA-N 2 3 269.392 2.455 20 0 CEADHP CC(C)(C[NH3+])C1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904445396 635639144 /nfs/dbraw/zinc/63/91/44/635639144.db2.gz RPBBWDDWCNNNDH-INIZCTEOSA-N 2 3 267.461 2.073 20 0 CEADHP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCNC1 ZINC000866717344 647880604 /nfs/dbraw/zinc/88/06/04/647880604.db2.gz CCRXTXACYULFTR-KRWDZBQOSA-N 2 3 281.488 2.286 20 0 CEADHP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCNC1 ZINC000866717344 647880607 /nfs/dbraw/zinc/88/06/07/647880607.db2.gz CCRXTXACYULFTR-KRWDZBQOSA-N 2 3 281.488 2.286 20 0 CEADHP NCC1(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232230 649603156 /nfs/dbraw/zinc/60/31/56/649603156.db2.gz NMJIBLSIDHKWPX-HOCLYGCPSA-N 2 3 279.472 2.345 20 0 CEADHP NCC1(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232230 649603159 /nfs/dbraw/zinc/60/31/59/649603159.db2.gz NMJIBLSIDHKWPX-HOCLYGCPSA-N 2 3 279.472 2.345 20 0 CEADHP CC[NH+](CC)C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246090156 813678797 /nfs/dbraw/zinc/67/87/97/813678797.db2.gz JNVBFGHLMFKWJV-HWOWSKLDSA-N 2 3 267.461 2.371 20 0 CEADHP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208811 813730307 /nfs/dbraw/zinc/73/03/07/813730307.db2.gz FESITHOQWLHYQM-KLHDSHLOSA-N 2 3 267.461 2.404 20 0 CEADHP CN1C(C)(C)CC([NH+]2CCC(C[NH3+])CC2)CC1(C)C ZINC001246537817 813937852 /nfs/dbraw/zinc/93/78/52/813937852.db2.gz LYNFSSXXLGYDNS-UHFFFAOYSA-N 2 3 267.461 2.309 20 0 CEADHP CC[C@@H]1C[C@H](N2CC3(C2)CCC[NH2+]CC3)C[C@H](CC)[NH2+]1 ZINC001246878372 814331249 /nfs/dbraw/zinc/33/12/49/814331249.db2.gz LJKZNKJAMGMHMV-ZSHCYNCHSA-N 2 3 279.472 2.371 20 0 CEADHP CC[NH+](CC)C1CCC([N@H+](C)C[C@H](C)CN)CC1 ZINC001173107186 815581278 /nfs/dbraw/zinc/58/12/78/815581278.db2.gz KVUJKKNAMMFFRV-WLYUNCDWSA-N 2 3 255.450 2.166 20 0 CEADHP CC[NH+](CC)C1CCC([N@@H+](C)C[C@H](C)CN)CC1 ZINC001173107186 815581286 /nfs/dbraw/zinc/58/12/86/815581286.db2.gz KVUJKKNAMMFFRV-WLYUNCDWSA-N 2 3 255.450 2.166 20 0 CEADHP N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653724 299071134 /nfs/dbraw/zinc/07/11/34/299071134.db2.gz MGGMPVWFJDQCSH-HZMVEIRTSA-N 2 3 271.408 2.109 20 0 CEADHP CCC1([NH+](C)C)CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000635001640 369037410 /nfs/dbraw/zinc/03/74/10/369037410.db2.gz XDEZZKHVOGMJAP-HUUCEWRRSA-N 2 3 267.461 2.181 20 0 CEADHP CCC1(N(C)C)CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000635001640 369037415 /nfs/dbraw/zinc/03/74/15/369037415.db2.gz XDEZZKHVOGMJAP-HUUCEWRRSA-N 2 3 267.461 2.181 20 0 CEADHP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000380897455 375167319 /nfs/dbraw/zinc/16/73/19/375167319.db2.gz APHDGFTWKJQPDG-RCCFBDPRSA-N 2 3 287.451 2.368 20 0 CEADHP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000380897454 375167400 /nfs/dbraw/zinc/16/74/00/375167400.db2.gz APHDGFTWKJQPDG-KZNAEPCWSA-N 2 3 287.451 2.368 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423171373 377079786 /nfs/dbraw/zinc/07/97/86/377079786.db2.gz ZYNMBFZPAJAAAX-ZDUSSCGKSA-N 2 3 290.455 2.374 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423171373 377079790 /nfs/dbraw/zinc/07/97/90/377079790.db2.gz ZYNMBFZPAJAAAX-ZDUSSCGKSA-N 2 3 290.455 2.374 20 0 CEADHP NC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000564825474 377465931 /nfs/dbraw/zinc/46/59/31/377465931.db2.gz KGTUILKCUSVKKM-DOTOQJQBSA-N 2 3 288.439 2.015 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000519424807 379419183 /nfs/dbraw/zinc/41/91/83/379419183.db2.gz AQXVZEPCHSOEQU-BZUAXINKSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000519424807 379419190 /nfs/dbraw/zinc/41/91/90/379419190.db2.gz AQXVZEPCHSOEQU-BZUAXINKSA-N 2 3 267.461 2.358 20 0 CEADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000333809905 380152694 /nfs/dbraw/zinc/15/26/94/380152694.db2.gz JBMYNJUBISFIOJ-YIDVYQOGSA-N 2 3 265.445 2.014 20 0 CEADHP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000414899332 394794437 /nfs/dbraw/zinc/79/44/37/394794437.db2.gz FLHYRWTWJOEHMT-RCCFBDPRSA-N 2 3 287.451 2.226 20 0 CEADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422803159 394797909 /nfs/dbraw/zinc/79/79/09/394797909.db2.gz FQQPDLSHCPFJBA-MSOLQXFVSA-N 2 3 287.451 2.499 20 0 CEADHP C[C@H](CC[NH2+][C@@H](C)CCCC[NH3+])N1CCCCC1 ZINC000423028304 394884433 /nfs/dbraw/zinc/88/44/33/394884433.db2.gz FWNGSIGJSZWDMW-LSDHHAIUSA-N 2 3 255.450 2.358 20 0 CEADHP C1CCC(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000423543990 394948777 /nfs/dbraw/zinc/94/87/77/394948777.db2.gz NRVAONHBTMERHF-ZMSDIMECSA-N 2 3 291.483 2.371 20 0 CEADHP CCN(CC)CCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340592 395336500 /nfs/dbraw/zinc/33/65/00/395336500.db2.gz SYBZQHDNXQCZIO-INIZCTEOSA-N 2 3 267.461 2.182 20 0 CEADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789754 395755221 /nfs/dbraw/zinc/75/52/21/395755221.db2.gz KMKZROIYUBNUJA-FLXSYLCISA-N 2 3 293.499 2.332 20 0 CEADHP CC(C)CN(C)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000652222004 401466808 /nfs/dbraw/zinc/46/68/08/401466808.db2.gz CHJDQBULLVSKMO-OAHLLOKOSA-N 2 3 269.477 2.284 20 0 CEADHP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN1CCCCC1 ZINC000038041941 174044280 /nfs/dbraw/zinc/04/42/80/174044280.db2.gz ZBPANPOVQCTYEG-CVEARBPZSA-N 2 3 281.488 2.428 20 0 CEADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925632472 628327954 /nfs/dbraw/zinc/32/79/54/628327954.db2.gz RVLDPPPKNYKNHV-IAGOWNOFSA-N 2 3 293.499 2.476 20 0 CEADHP C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C[C@@H]1CCC[NH2+]1 ZINC000925707531 628554804 /nfs/dbraw/zinc/55/48/04/628554804.db2.gz LBBSJTHBRNWASE-GVDBMIGSSA-N 2 3 279.472 2.277 20 0 CEADHP NC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925713507 628565838 /nfs/dbraw/zinc/56/58/38/628565838.db2.gz WDJJYCJKSKBWJE-OAHLLOKOSA-N 2 3 261.413 2.328 20 0 CEADHP C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727535 628646391 /nfs/dbraw/zinc/64/63/91/628646391.db2.gz HLBUMCHAFXTFGB-IAOVAPTHSA-N 2 3 279.472 2.132 20 0 CEADHP CC1([NH+]2CCCC2)CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903476601 635146184 /nfs/dbraw/zinc/14/61/84/635146184.db2.gz BSDKPFGLZXXNDQ-CABCVRRESA-N 2 3 265.445 2.064 20 0 CEADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903482640 635150783 /nfs/dbraw/zinc/15/07/83/635150783.db2.gz NOQBRPIFHQZKJE-XYVMCAHJSA-N 2 3 293.499 2.462 20 0 CEADHP CC(C)(C)CC[C@H](N)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904374510 635595491 /nfs/dbraw/zinc/59/54/91/635595491.db2.gz SJJLGIIWDNRCLS-HNNXBMFYSA-N 2 3 263.429 2.389 20 0 CEADHP C[C@@]1(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377534 635603380 /nfs/dbraw/zinc/60/33/80/635603380.db2.gz RYWWNJGDVPBWSW-DLBZAZTESA-N 2 3 279.472 2.088 20 0 CEADHP C[C@@]1(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCCNC1 ZINC000904377534 635603384 /nfs/dbraw/zinc/60/33/84/635603384.db2.gz RYWWNJGDVPBWSW-DLBZAZTESA-N 2 3 279.472 2.088 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416074 635621488 /nfs/dbraw/zinc/62/14/88/635621488.db2.gz GEPWJTOPTDXVLY-RDJZCZTQSA-N 2 3 281.488 2.462 20 0 CEADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000925488540 644187108 /nfs/dbraw/zinc/18/71/08/644187108.db2.gz KLGNNARQRDRYBQ-HUUCEWRRSA-N 2 3 267.461 2.371 20 0 CEADHP CC[C@H]1C[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202897 813728938 /nfs/dbraw/zinc/72/89/38/813728938.db2.gz SDZWJHRNDOIIRM-XGUBFFRZSA-N 2 3 253.434 2.014 20 0 CEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208793 813729571 /nfs/dbraw/zinc/72/95/71/813729571.db2.gz DXQISCKARKJZBO-TUVASFSCSA-N 2 3 267.461 2.260 20 0 CEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210134 813729960 /nfs/dbraw/zinc/72/99/60/813729960.db2.gz IGHCFQRAKXKMKX-KGLIPLIRSA-N 2 3 267.461 2.132 20 0 CEADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246501169 813873761 /nfs/dbraw/zinc/87/37/61/813873761.db2.gz AORQMYGXFKACPG-YHUYYLMFSA-N 2 3 267.461 2.370 20 0 CEADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734258 375943066 /nfs/dbraw/zinc/94/30/66/375943066.db2.gz DJFVULNLALUSRW-PVAVHDDUSA-N 2 3 279.472 2.038 20 0 CEADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734258 375943071 /nfs/dbraw/zinc/94/30/71/375943071.db2.gz DJFVULNLALUSRW-PVAVHDDUSA-N 2 3 279.472 2.038 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003215 376015627 /nfs/dbraw/zinc/01/56/27/376015627.db2.gz FNGDBUBNIITOGX-MXASKKJJSA-N 2 3 279.472 2.275 20 0 CEADHP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423272332 377193094 /nfs/dbraw/zinc/19/30/94/377193094.db2.gz JXBXTQORDDSGIT-MWDXBVQZSA-N 2 3 279.472 2.277 20 0 CEADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422803162 394798172 /nfs/dbraw/zinc/79/81/72/394798172.db2.gz FQQPDLSHCPFJBA-ZWKOTPCHSA-N 2 3 287.451 2.499 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422874935 394843711 /nfs/dbraw/zinc/84/37/11/394843711.db2.gz DQDWGLOPRUMSHW-RRFJBIMHSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422874935 394843714 /nfs/dbraw/zinc/84/37/14/394843714.db2.gz DQDWGLOPRUMSHW-RRFJBIMHSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422881721 394847220 /nfs/dbraw/zinc/84/72/20/394847220.db2.gz OCYRBURVYQYAKF-RYTJFDOTSA-N 2 3 281.488 2.462 20 0 CEADHP CCCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323058 395325278 /nfs/dbraw/zinc/32/52/78/395325278.db2.gz TUQBOUFVZHXQIU-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323058 395325285 /nfs/dbraw/zinc/32/52/85/395325285.db2.gz TUQBOUFVZHXQIU-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323058 395325291 /nfs/dbraw/zinc/32/52/91/395325291.db2.gz TUQBOUFVZHXQIU-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323058 395325296 /nfs/dbraw/zinc/32/52/96/395325296.db2.gz TUQBOUFVZHXQIU-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323050 395326274 /nfs/dbraw/zinc/32/62/74/395326274.db2.gz TUQBOUFVZHXQIU-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323050 395326276 /nfs/dbraw/zinc/32/62/76/395326276.db2.gz TUQBOUFVZHXQIU-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323050 395326281 /nfs/dbraw/zinc/32/62/81/395326281.db2.gz TUQBOUFVZHXQIU-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323050 395326284 /nfs/dbraw/zinc/32/62/84/395326284.db2.gz TUQBOUFVZHXQIU-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CN(CC[C@H]1CCCC[N@@H+]1C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321648 395324446 /nfs/dbraw/zinc/32/44/46/395324446.db2.gz RIWPEZLSZGGYRC-JKSUJKDBSA-N 2 3 267.461 2.182 20 0 CEADHP CN(CC[C@H]1CCCC[N@H+]1C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321648 395324449 /nfs/dbraw/zinc/32/44/49/395324449.db2.gz RIWPEZLSZGGYRC-JKSUJKDBSA-N 2 3 267.461 2.182 20 0 CEADHP C(C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326829 395329106 /nfs/dbraw/zinc/32/91/06/395329106.db2.gz XSIPSSQJITWUJG-SJORKVTESA-N 2 3 279.472 2.184 20 0 CEADHP C(C[N@H+]1CC[C@@H](CN2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326829 395329108 /nfs/dbraw/zinc/32/91/08/395329108.db2.gz XSIPSSQJITWUJG-SJORKVTESA-N 2 3 279.472 2.184 20 0 CEADHP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326829 395329110 /nfs/dbraw/zinc/32/91/10/395329110.db2.gz XSIPSSQJITWUJG-SJORKVTESA-N 2 3 279.472 2.184 20 0 CEADHP C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C[NH+]1CCCCC1 ZINC000420335400 395332563 /nfs/dbraw/zinc/33/25/63/395332563.db2.gz UVCUQDWHSSWFMN-IRXDYDNUSA-N 2 3 279.472 2.184 20 0 CEADHP CCN(CC)CCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340593 395336153 /nfs/dbraw/zinc/33/61/53/395336153.db2.gz SYBZQHDNXQCZIO-MRXNPFEDSA-N 2 3 267.461 2.182 20 0 CEADHP CCCN(CCC)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647784456 395754136 /nfs/dbraw/zinc/75/41/36/395754136.db2.gz UOONSKJWCUSVMG-GVDBMIGSSA-N 2 3 281.488 2.476 20 0 CEADHP CC[N@H+](CCC1CCN(C[C@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000647989917 395796706 /nfs/dbraw/zinc/79/67/06/395796706.db2.gz DWNRRLLSDJEUQJ-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP CC[N@@H+](CCC1CCN(C[C@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000647989917 395796709 /nfs/dbraw/zinc/79/67/09/395796709.db2.gz DWNRRLLSDJEUQJ-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363508 401495421 /nfs/dbraw/zinc/49/54/21/401495421.db2.gz GPFJQUIOSOQRCF-ZACQAIPSSA-N 2 3 297.487 2.079 20 0 CEADHP CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363508 401495424 /nfs/dbraw/zinc/49/54/24/401495424.db2.gz GPFJQUIOSOQRCF-ZACQAIPSSA-N 2 3 297.487 2.079 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000656200839 415635974 /nfs/dbraw/zinc/63/59/74/415635974.db2.gz RQRFRHMTRFQXAP-KOZAUXTDSA-N 2 3 259.397 2.061 20 0 CEADHP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c2c(c1)CNCC2 ZINC000662275205 415741463 /nfs/dbraw/zinc/74/14/63/415741463.db2.gz VTGIZBVFVCVOMM-IBGZPJMESA-N 2 3 299.462 2.296 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000423043706 281006165 /nfs/dbraw/zinc/00/61/65/281006165.db2.gz PTCGSKZNSQLIRP-KFWWJZLASA-N 2 3 267.461 2.356 20 0 CEADHP C[NH+](C)CC1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000358354244 289103735 /nfs/dbraw/zinc/10/37/35/289103735.db2.gz PSMOFSUOTHEJOM-GQGLESIBSA-N 2 3 279.472 2.323 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000577274564 314358978 /nfs/dbraw/zinc/35/89/78/314358978.db2.gz OVCMEIOLAWWJTN-XEMSXLGGSA-N 2 3 291.483 2.403 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000581022164 322363147 /nfs/dbraw/zinc/36/31/47/322363147.db2.gz MSPSJYYIPUQNIN-HOTGVXAUSA-N 2 3 267.461 2.358 20 0 CEADHP CC1(C)C[C@@H](NCc2ccc(CC[NH3+])cc2)C[C@@H]([NH3+])C1 ZINC000925689468 628500888 /nfs/dbraw/zinc/50/08/88/628500888.db2.gz ABFYVPIYHOXGNJ-CVEARBPZSA-N 2 3 275.440 2.183 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925703924 628546815 /nfs/dbraw/zinc/54/68/15/628546815.db2.gz WEWKDTDKFFZNLU-IRXDYDNUSA-N 2 3 279.472 2.134 20 0 CEADHP C[C@@H]1C[C@H](CN2CCC([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000261646436 628958436 /nfs/dbraw/zinc/95/84/36/628958436.db2.gz NWDOQGNKJNCRQO-HZPDHXFCSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@@H]1C[C@H](C[NH+]2CCC(N3CCCCC3)CC2)CC[NH2+]1 ZINC000261646436 628958438 /nfs/dbraw/zinc/95/84/38/628958438.db2.gz NWDOQGNKJNCRQO-HZPDHXFCSA-N 2 3 279.472 2.325 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456734 635139004 /nfs/dbraw/zinc/13/90/04/635139004.db2.gz KDMZGDARDRNQDK-LJIGWXMPSA-N 2 3 277.456 2.063 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456734 635139012 /nfs/dbraw/zinc/13/90/12/635139012.db2.gz KDMZGDARDRNQDK-LJIGWXMPSA-N 2 3 277.456 2.063 20 0 CEADHP c1cc(C[N@@H+]2CCNCCC23CCC3)c2c(c1)C[NH2+]CC2 ZINC000883459830 652477320 /nfs/dbraw/zinc/47/73/20/652477320.db2.gz IIQUJNPQYZTZSQ-UHFFFAOYSA-N 2 3 285.435 2.050 20 0 CEADHP c1cc(C[N@H+]2CCNCCC23CCC3)c2c(c1)C[NH2+]CC2 ZINC000883459830 652477321 /nfs/dbraw/zinc/47/73/21/652477321.db2.gz IIQUJNPQYZTZSQ-UHFFFAOYSA-N 2 3 285.435 2.050 20 0 CEADHP C[NH+](C)C1CCC(N2CCC([NH3+])(CC3CC3)CC2)CC1 ZINC001168305555 806641328 /nfs/dbraw/zinc/64/13/28/806641328.db2.gz MRSDCAADJRDMKK-UHFFFAOYSA-N 2 3 279.472 2.453 20 0 CEADHP C[NH+](C)C1CCC(N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001168314854 806648715 /nfs/dbraw/zinc/64/87/15/806648715.db2.gz GETLATGRKXDGQU-UHFFFAOYSA-N 2 3 288.439 2.076 20 0 CEADHP C[NH+](C)C1CCC([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001168314854 806648717 /nfs/dbraw/zinc/64/87/17/806648717.db2.gz GETLATGRKXDGQU-UHFFFAOYSA-N 2 3 288.439 2.076 20 0 CEADHP CCN(CC)CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715234046 807760450 /nfs/dbraw/zinc/76/04/50/807760450.db2.gz IJLIYBWZBCFYIK-UHFFFAOYSA-N 2 3 255.450 2.181 20 0 CEADHP CC(C)C[N@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550420 808111491 /nfs/dbraw/zinc/11/14/91/808111491.db2.gz IHAQASKZICITJQ-JYJNAYRXSA-N 2 3 267.461 2.214 20 0 CEADHP CC(C)C[N@@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550420 808111499 /nfs/dbraw/zinc/11/14/99/808111499.db2.gz IHAQASKZICITJQ-JYJNAYRXSA-N 2 3 267.461 2.214 20 0 CEADHP C[NH+](C)CCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000701412157 809429674 /nfs/dbraw/zinc/42/96/74/809429674.db2.gz NDBZVKIAPJFVKY-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202876 813727378 /nfs/dbraw/zinc/72/73/78/813727378.db2.gz SDZWJHRNDOIIRM-BARDWOONSA-N 2 3 253.434 2.014 20 0 CEADHP C[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)CC(C)(C)CC[NH3+] ZINC001246331435 813781969 /nfs/dbraw/zinc/78/19/69/813781969.db2.gz ACFVZOZUEZAEKV-MJBXVCDLSA-N 2 3 255.450 2.118 20 0 CEADHP CC1(C)CNCC[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246375395 813811726 /nfs/dbraw/zinc/81/17/26/813811726.db2.gz YHHHMYDJGBVQFJ-HNNXBMFYSA-N 2 3 279.472 2.277 20 0 CEADHP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571313 814093418 /nfs/dbraw/zinc/09/34/18/814093418.db2.gz BBSKBOMZZXHGOS-QKPAOTATSA-N 2 3 265.445 2.110 20 0 CEADHP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571313 814093424 /nfs/dbraw/zinc/09/34/24/814093424.db2.gz BBSKBOMZZXHGOS-QKPAOTATSA-N 2 3 265.445 2.110 20 0 CEADHP N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653726 299071185 /nfs/dbraw/zinc/07/11/85/299071185.db2.gz MGGMPVWFJDQCSH-MWDXBVQZSA-N 2 3 271.408 2.109 20 0 CEADHP c1cc(N2CCC([NH2+]CCCN3CCCC3)CC2)cc[nH+]1 ZINC000036961223 361874802 /nfs/dbraw/zinc/87/48/02/361874802.db2.gz ZMDDMIADYDGRIM-UHFFFAOYSA-N 2 3 288.439 2.126 20 0 CEADHP CCC1([NH+](C)C)CCN(CCC2CC[NH2+]CC2)CC1 ZINC000631865263 367600428 /nfs/dbraw/zinc/60/04/28/367600428.db2.gz FNJDVFCDKGHLSF-UHFFFAOYSA-N 2 3 267.461 2.182 20 0 CEADHP CCC1(N(C)C)CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000631865263 367600429 /nfs/dbraw/zinc/60/04/29/367600429.db2.gz FNJDVFCDKGHLSF-UHFFFAOYSA-N 2 3 267.461 2.182 20 0 CEADHP CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422998070 376914994 /nfs/dbraw/zinc/91/49/94/376914994.db2.gz PKJVBBFCDSPCJH-GJZGRUSLSA-N 2 3 255.450 2.071 20 0 CEADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423138491 377037745 /nfs/dbraw/zinc/03/77/45/377037745.db2.gz SYZWLEATXIWTSQ-HOTGVXAUSA-N 2 3 267.461 2.360 20 0 CEADHP CC(C)C[C@@H](N)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000414705752 394749295 /nfs/dbraw/zinc/74/92/95/394749295.db2.gz LWSIMAZGCVLXMJ-MRXNPFEDSA-N 2 3 269.477 2.414 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422737394 394748282 /nfs/dbraw/zinc/74/82/82/394748282.db2.gz HXQOMIFXLBVCCI-HZPDHXFCSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H](N)C[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876323 394843117 /nfs/dbraw/zinc/84/31/17/394843117.db2.gz GEALWTFWHUKWDV-HUUCEWRRSA-N 2 3 255.450 2.214 20 0 CEADHP CN(CC[C@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@@H+]1C ZINC000420321645 395323385 /nfs/dbraw/zinc/32/33/85/395323385.db2.gz RIWPEZLSZGGYRC-CVEARBPZSA-N 2 3 267.461 2.182 20 0 CEADHP CN(CC[C@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@H+]1C ZINC000420321645 395323387 /nfs/dbraw/zinc/32/33/87/395323387.db2.gz RIWPEZLSZGGYRC-CVEARBPZSA-N 2 3 267.461 2.182 20 0 CEADHP C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C[NH+]1CCCCC1 ZINC000420335401 395332737 /nfs/dbraw/zinc/33/27/37/395332737.db2.gz UVCUQDWHSSWFMN-SJORKVTESA-N 2 3 279.472 2.184 20 0 CEADHP C[C@@H](NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000665299426 415688770 /nfs/dbraw/zinc/68/87/70/415688770.db2.gz MSQLUPGXVJSYBF-PBHICJAKSA-N 2 3 279.472 2.229 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787319 415862055 /nfs/dbraw/zinc/86/20/55/415862055.db2.gz XHDGJCZSFYEJRT-HOTGVXAUSA-N 2 3 267.461 2.071 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787318 415862310 /nfs/dbraw/zinc/86/23/10/415862310.db2.gz XHDGJCZSFYEJRT-CVEARBPZSA-N 2 3 267.461 2.071 20 0 CEADHP C[C@H]([NH3+])CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423222705 270875020 /nfs/dbraw/zinc/87/50/20/270875020.db2.gz CEWWEDOBXHCFJI-KBPBESRZSA-N 2 3 279.428 2.015 20 0 CEADHP C[NH+]1CCC(C)(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000226344962 277025540 /nfs/dbraw/zinc/02/55/40/277025540.db2.gz FMLLEGAADIVWLS-HOTGVXAUSA-N 2 3 273.424 2.453 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422838716 280932101 /nfs/dbraw/zinc/93/21/01/280932101.db2.gz PAJJBJSJMZAGNL-SJORKVTESA-N 2 3 281.488 2.462 20 0 CEADHP [NH3+]CCCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000846220049 623360348 /nfs/dbraw/zinc/36/03/48/623360348.db2.gz KCZDLKPKARCYHF-INIZCTEOSA-N 2 3 267.461 2.313 20 0 CEADHP [NH3+]CCCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000846220049 623360354 /nfs/dbraw/zinc/36/03/54/623360354.db2.gz KCZDLKPKARCYHF-INIZCTEOSA-N 2 3 267.461 2.313 20 0 CEADHP [NH3+]CCCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000846220049 623360362 /nfs/dbraw/zinc/36/03/62/623360362.db2.gz KCZDLKPKARCYHF-INIZCTEOSA-N 2 3 267.461 2.313 20 0 CEADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911075 635344757 /nfs/dbraw/zinc/34/47/57/635344757.db2.gz WFFOLPIKGMXHIK-OOKSDGMUSA-N 2 3 291.483 2.181 20 0 CEADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911075 635344760 /nfs/dbraw/zinc/34/47/60/635344760.db2.gz WFFOLPIKGMXHIK-OOKSDGMUSA-N 2 3 291.483 2.181 20 0 CEADHP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388550 635597959 /nfs/dbraw/zinc/59/79/59/635597959.db2.gz KCJRASBKRLMBFT-MGPQQGTHSA-N 2 3 255.450 2.057 20 0 CEADHP C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329501 643661319 /nfs/dbraw/zinc/66/13/19/643661319.db2.gz UXYIZTLGYBEANO-GUMUBFQMSA-N 2 3 291.483 2.371 20 0 CEADHP C[NH2+]CCCN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157698 649300683 /nfs/dbraw/zinc/30/06/83/649300683.db2.gz PRRYXPZYNFXLMD-HOCLYGCPSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1C[N@H+](Cc2cc3c(s2)CNCC3)CCC[C@@H]1C[NH3+] ZINC001206014835 811607669 /nfs/dbraw/zinc/60/76/69/811607669.db2.gz YGRXRWYVTKVTRC-TZMCWYRMSA-N 2 3 293.480 2.201 20 0 CEADHP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CNCC3)CCC[C@@H]1C[NH3+] ZINC001206014835 811607672 /nfs/dbraw/zinc/60/76/72/811607672.db2.gz YGRXRWYVTKVTRC-TZMCWYRMSA-N 2 3 293.480 2.201 20 0 CEADHP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246580147 814150727 /nfs/dbraw/zinc/15/07/27/814150727.db2.gz VZABQMFDLKLFIG-PMPSAXMXSA-N 2 3 267.461 2.214 20 0 CEADHP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246580147 814150732 /nfs/dbraw/zinc/15/07/32/814150732.db2.gz VZABQMFDLKLFIG-PMPSAXMXSA-N 2 3 267.461 2.214 20 0 CEADHP NC[C@@H]1CCCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246583820 814166834 /nfs/dbraw/zinc/16/68/34/814166834.db2.gz SDHOHCQPZUUCSQ-GTPINHCMSA-N 2 3 279.472 2.360 20 0 CEADHP NC[C@@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246583820 814166836 /nfs/dbraw/zinc/16/68/36/814166836.db2.gz SDHOHCQPZUUCSQ-GTPINHCMSA-N 2 3 279.472 2.360 20 0 CEADHP CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000125995358 539226969 /nfs/dbraw/zinc/22/69/69/539226969.db2.gz LCZQIMXWIXWENW-HOTGVXAUSA-N 2 3 281.488 2.427 20 0 CEADHP C[NH+](C)CC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351533426 219117155 /nfs/dbraw/zinc/11/71/55/219117155.db2.gz NLDDPIYNWUZBMS-INIZCTEOSA-N 2 3 267.461 2.134 20 0 CEADHP C[NH+](C)CC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351533426 219117157 /nfs/dbraw/zinc/11/71/57/219117157.db2.gz NLDDPIYNWUZBMS-INIZCTEOSA-N 2 3 267.461 2.134 20 0 CEADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093491254 539851021 /nfs/dbraw/zinc/85/10/21/539851021.db2.gz LBHJPBGEGUDDBJ-WCXIOVBPSA-N 2 3 279.472 2.229 20 0 CEADHP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058282 367137014 /nfs/dbraw/zinc/13/70/14/367137014.db2.gz PICDVGLFKBEBBE-MSOLQXFVSA-N 2 3 299.462 2.154 20 0 CEADHP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058282 367137016 /nfs/dbraw/zinc/13/70/16/367137016.db2.gz PICDVGLFKBEBBE-MSOLQXFVSA-N 2 3 299.462 2.154 20 0 CEADHP CCC1([NH+](C)C)CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000635001638 369037746 /nfs/dbraw/zinc/03/77/46/369037746.db2.gz XDEZZKHVOGMJAP-CABCVRRESA-N 2 3 267.461 2.181 20 0 CEADHP CCC1(N(C)C)CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000635001638 369037750 /nfs/dbraw/zinc/03/77/50/369037750.db2.gz XDEZZKHVOGMJAP-CABCVRRESA-N 2 3 267.461 2.181 20 0 CEADHP C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359209450 371377286 /nfs/dbraw/zinc/37/72/86/371377286.db2.gz KMVBGFNKQBTIBC-QGZVFWFLSA-N 2 3 279.472 2.326 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422999271 376917371 /nfs/dbraw/zinc/91/73/71/376917371.db2.gz XPXVPERMIXNEOO-HNNXBMFYSA-N 2 3 290.455 2.405 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)CN1CCCC1 ZINC000423068581 376960084 /nfs/dbraw/zinc/96/00/84/376960084.db2.gz CDDXUPKHDADKCR-AWEZNQCLSA-N 2 3 255.450 2.216 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423171031 377079649 /nfs/dbraw/zinc/07/96/49/377079649.db2.gz NETJEMCLKUSRFK-HIFRSBDPSA-N 2 3 290.455 2.231 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171031 377079655 /nfs/dbraw/zinc/07/96/55/377079655.db2.gz NETJEMCLKUSRFK-HIFRSBDPSA-N 2 3 290.455 2.231 20 0 CEADHP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(OCCN(C)C)cc1 ZINC000423326061 377257837 /nfs/dbraw/zinc/25/78/37/377257837.db2.gz JDVGNCFGSXMCBO-CQSZACIVSA-N 2 3 279.428 2.017 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000415079161 394879544 /nfs/dbraw/zinc/87/95/44/394879544.db2.gz HRIWJCSPZKMVRZ-QGZVFWFLSA-N 2 3 281.488 2.476 20 0 CEADHP C(CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475362 394985993 /nfs/dbraw/zinc/98/59/93/394985993.db2.gz ACKIILFVZXKLJL-DLBZAZTESA-N 2 3 279.472 2.469 20 0 CEADHP C(CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475362 394985995 /nfs/dbraw/zinc/98/59/95/394985995.db2.gz ACKIILFVZXKLJL-DLBZAZTESA-N 2 3 279.472 2.469 20 0 CEADHP C(CC[NH2+][C@H]1CCN2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475362 394985997 /nfs/dbraw/zinc/98/59/97/394985997.db2.gz ACKIILFVZXKLJL-DLBZAZTESA-N 2 3 279.472 2.469 20 0 CEADHP C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887486 395501244 /nfs/dbraw/zinc/50/12/44/395501244.db2.gz ULOPPJUYSOHRGA-RDJZCZTQSA-N 2 3 277.456 2.077 20 0 CEADHP CCCN(CCC)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647784457 395753989 /nfs/dbraw/zinc/75/39/89/395753989.db2.gz UOONSKJWCUSVMG-IXDOHACOSA-N 2 3 281.488 2.476 20 0 CEADHP CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647788529 395754706 /nfs/dbraw/zinc/75/47/06/395754706.db2.gz LIYFSYFMNKZAPB-KZNAEPCWSA-N 2 3 287.451 2.226 20 0 CEADHP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CN1CCCC1 ZINC000647794900 395756124 /nfs/dbraw/zinc/75/61/24/395756124.db2.gz FKGRKBHJHQAEGS-ARFHVFGLSA-N 2 3 279.472 2.086 20 0 CEADHP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CN1CCCC1 ZINC000647794903 395756136 /nfs/dbraw/zinc/75/61/36/395756136.db2.gz FKGRKBHJHQAEGS-OWCLPIDISA-N 2 3 279.472 2.086 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977963 395794363 /nfs/dbraw/zinc/79/43/63/395794363.db2.gz KFCSWABEWLERRY-SJORKVTESA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977963 395794365 /nfs/dbraw/zinc/79/43/65/395794365.db2.gz KFCSWABEWLERRY-SJORKVTESA-N 2 3 281.488 2.430 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977963 395794366 /nfs/dbraw/zinc/79/43/66/395794366.db2.gz KFCSWABEWLERRY-SJORKVTESA-N 2 3 281.488 2.430 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000649413798 396147251 /nfs/dbraw/zinc/14/72/51/396147251.db2.gz GIBDYUHZNJOZNE-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000649413798 396147254 /nfs/dbraw/zinc/14/72/54/396147254.db2.gz GIBDYUHZNJOZNE-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000649413798 396147256 /nfs/dbraw/zinc/14/72/56/396147256.db2.gz GIBDYUHZNJOZNE-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CN1CCCCC1 ZINC000401021333 414750077 /nfs/dbraw/zinc/75/00/77/414750077.db2.gz KZBFWZSVFXYTMX-YYIAUSFCSA-N 2 3 279.472 2.086 20 0 CEADHP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258612 415654555 /nfs/dbraw/zinc/65/45/55/415654555.db2.gz GFBZQSMFXKVTOF-IAOVAPTHSA-N 2 3 293.430 2.378 20 0 CEADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298848 415684783 /nfs/dbraw/zinc/68/47/83/415684783.db2.gz AUWGBIWVPDRCCI-DLBZAZTESA-N 2 3 279.472 2.216 20 0 CEADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665298851 415685019 /nfs/dbraw/zinc/68/50/19/415685019.db2.gz AUWGBIWVPDRCCI-SJORKVTESA-N 2 3 279.472 2.216 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000665299976 415686976 /nfs/dbraw/zinc/68/69/76/415686976.db2.gz VWIDKRLKAAUVHF-HOCLYGCPSA-N 2 3 267.461 2.216 20 0 CEADHP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000250615540 289879719 /nfs/dbraw/zinc/87/97/19/289879719.db2.gz NVDNKTQJNYLOBA-GVDBMIGSSA-N 2 3 279.472 2.229 20 0 CEADHP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000577499469 314383420 /nfs/dbraw/zinc/38/34/20/314383420.db2.gz MQUODKMUWIOMQI-CYBMUJFWSA-N 2 3 290.455 2.231 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925703063 628544342 /nfs/dbraw/zinc/54/43/42/628544342.db2.gz SJPUZZBTASXZCH-XLNGHYISSA-N 2 3 279.472 2.085 20 0 CEADHP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334263 635577612 /nfs/dbraw/zinc/57/76/12/635577612.db2.gz QMPUHYCONXKUDP-KGLIPLIRSA-N 2 3 255.450 2.201 20 0 CEADHP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334263 635577613 /nfs/dbraw/zinc/57/76/13/635577613.db2.gz QMPUHYCONXKUDP-KGLIPLIRSA-N 2 3 255.450 2.201 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896286 635332364 /nfs/dbraw/zinc/33/23/64/635332364.db2.gz AEUXVZJEQHYYBS-XYTVBORESA-N 2 3 279.472 2.181 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896286 635332369 /nfs/dbraw/zinc/33/23/69/635332369.db2.gz AEUXVZJEQHYYBS-XYTVBORESA-N 2 3 279.472 2.181 20 0 CEADHP CCC[N@H+](C)C[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896286 635332371 /nfs/dbraw/zinc/33/23/71/635332371.db2.gz AEUXVZJEQHYYBS-XYTVBORESA-N 2 3 279.472 2.181 20 0 CEADHP CCC[N@@H+](C)C[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896286 635332375 /nfs/dbraw/zinc/33/23/75/635332375.db2.gz AEUXVZJEQHYYBS-XYTVBORESA-N 2 3 279.472 2.181 20 0 CEADHP C[C@@H]([NH3+])C1CC[NH+](C[C@H](N)CCC(C)(C)C)CC1 ZINC000904299895 635553680 /nfs/dbraw/zinc/55/36/80/635553680.db2.gz QVQPODUYOQYZHF-TZMCWYRMSA-N 2 3 255.450 2.199 20 0 CEADHP c1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)sc2c1CNCC2 ZINC000873211519 649591481 /nfs/dbraw/zinc/59/14/81/649591481.db2.gz AZJXUPYQCXCJNB-CYBMUJFWSA-N 2 3 279.453 2.016 20 0 CEADHP C[C@@H]1CC([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C[C@@H](C)N1 ZINC001246249315 813752825 /nfs/dbraw/zinc/75/28/25/813752825.db2.gz NZPFMEIZBZHKHZ-ZIAGYGMSSA-N 2 3 279.472 2.417 20 0 CEADHP CC[C@@]1(CN[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001246455155 813829670 /nfs/dbraw/zinc/82/96/70/813829670.db2.gz HHRQPIHQVKZXSL-PMPSAXMXSA-N 2 3 265.445 2.031 20 0 CEADHP CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246568365 814071451 /nfs/dbraw/zinc/07/14/51/814071451.db2.gz OAMGLSFHNCNTDT-HRCADAONSA-N 2 3 269.477 2.414 20 0 CEADHP CCN(CC)CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246568365 814071459 /nfs/dbraw/zinc/07/14/59/814071459.db2.gz OAMGLSFHNCNTDT-HRCADAONSA-N 2 3 269.477 2.414 20 0 CEADHP C[NH+](C)CCCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340714464 366999863 /nfs/dbraw/zinc/99/98/63/366999863.db2.gz YFYWIBNPXCSWPA-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733404 368845718 /nfs/dbraw/zinc/84/57/18/368845718.db2.gz DYYHGDRVSCTUFT-ZNMIVQPWSA-N 2 3 267.461 2.085 20 0 CEADHP NC1(C[NH2+]C2CCC(C[NH3+])CC2)C2CC3CC(C2)CC1C3 ZINC000643544945 373203302 /nfs/dbraw/zinc/20/33/02/373203302.db2.gz VUYBWJBHCRDLHE-UHFFFAOYSA-N 2 3 291.483 2.247 20 0 CEADHP CC[N@H+](CCC1CCN(CCC[NH3+])CC1)CC1CC1 ZINC000414747443 375949859 /nfs/dbraw/zinc/94/98/59/375949859.db2.gz SCEYWPBCGYPMKU-UHFFFAOYSA-N 2 3 267.461 2.169 20 0 CEADHP CC[N@@H+](CCC1CCN(CCC[NH3+])CC1)CC1CC1 ZINC000414747443 375949864 /nfs/dbraw/zinc/94/98/64/375949864.db2.gz SCEYWPBCGYPMKU-UHFFFAOYSA-N 2 3 267.461 2.169 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+]CCCN(C)C1CCCCC1 ZINC000310869099 376639003 /nfs/dbraw/zinc/63/90/03/376639003.db2.gz LRPOHZFHUCKPAB-CQSZACIVSA-N 2 3 255.450 2.358 20 0 CEADHP C[NH2+]CCNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423250302 377171048 /nfs/dbraw/zinc/17/10/48/377171048.db2.gz UEZZHWWLLFSEFH-UHFFFAOYSA-N 2 3 275.440 2.239 20 0 CEADHP C[NH2+]CCNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423250302 377171053 /nfs/dbraw/zinc/17/10/53/377171053.db2.gz UEZZHWWLLFSEFH-UHFFFAOYSA-N 2 3 275.440 2.239 20 0 CEADHP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423337988 377269541 /nfs/dbraw/zinc/26/95/41/377269541.db2.gz HWXGDPWBZRLYRT-QFBILLFUSA-N 2 3 299.462 2.406 20 0 CEADHP C[C@H](NCC1=CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337988 377269545 /nfs/dbraw/zinc/26/95/45/377269545.db2.gz HWXGDPWBZRLYRT-QFBILLFUSA-N 2 3 299.462 2.406 20 0 CEADHP C[C@H](NCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337988 377269546 /nfs/dbraw/zinc/26/95/46/377269546.db2.gz HWXGDPWBZRLYRT-QFBILLFUSA-N 2 3 299.462 2.406 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000519424809 379419812 /nfs/dbraw/zinc/41/98/12/379419812.db2.gz AQXVZEPCHSOEQU-OWCLPIDISA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000519424809 379419819 /nfs/dbraw/zinc/41/98/19/379419819.db2.gz AQXVZEPCHSOEQU-OWCLPIDISA-N 2 3 267.461 2.358 20 0 CEADHP N[C@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000583641262 322559387 /nfs/dbraw/zinc/55/93/87/322559387.db2.gz KKUJWQQBVXNBRD-GJZGRUSLSA-N 2 3 253.434 2.112 20 0 CEADHP CC(C)CN1CCC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422990838 394876151 /nfs/dbraw/zinc/87/61/51/394876151.db2.gz ABIIJFBZRSKBTA-CGZBRXJRSA-N 2 3 281.488 2.462 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NCCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487370 394932766 /nfs/dbraw/zinc/93/27/66/394932766.db2.gz UGJKULLERSJYCB-DAXOMENPSA-N 2 3 259.397 2.253 20 0 CEADHP NC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324120 395327762 /nfs/dbraw/zinc/32/77/62/395327762.db2.gz ZENLJKJYJMUSRY-JQHSSLGASA-N 2 3 287.451 2.050 20 0 CEADHP NC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324120 395327764 /nfs/dbraw/zinc/32/77/64/395327764.db2.gz ZENLJKJYJMUSRY-JQHSSLGASA-N 2 3 287.451 2.050 20 0 CEADHP [NH3+]C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324120 395327767 /nfs/dbraw/zinc/32/77/67/395327767.db2.gz ZENLJKJYJMUSRY-JQHSSLGASA-N 2 3 287.451 2.050 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000666955352 419492078 /nfs/dbraw/zinc/49/20/78/419492078.db2.gz BEVDLOXGFFMDIF-ILXRZTDVSA-N 2 3 265.445 2.029 20 0 CEADHP CC[NH+](CC)CCCC1CCN(CCC[NH2+]C)CC1 ZINC000420365335 270528832 /nfs/dbraw/zinc/52/88/32/270528832.db2.gz RWLWDKFIOXRPHN-UHFFFAOYSA-N 2 3 269.477 2.430 20 0 CEADHP CC1CC[NH+](C2CCC([NH2+]C3CCNCC3)CC2)CC1 ZINC000334863396 278536717 /nfs/dbraw/zinc/53/67/17/278536717.db2.gz NYLAKTNERUWDCB-UHFFFAOYSA-N 2 3 279.472 2.371 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000423448358 281045708 /nfs/dbraw/zinc/04/57/08/281045708.db2.gz FATIFSRGZIYURY-GJZGRUSLSA-N 2 3 293.455 2.405 20 0 CEADHP [NH3+][C@H]1C[C@@H](NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465277 281048735 /nfs/dbraw/zinc/04/87/35/281048735.db2.gz HMXGTQQMGHQSJY-SHUKQUCYSA-N 2 3 259.397 2.238 20 0 CEADHP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000580639559 322331738 /nfs/dbraw/zinc/33/17/38/322331738.db2.gz NBMMBQAESLRRHB-DMRKSPOLSA-N 2 3 279.472 2.404 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925698125 628534117 /nfs/dbraw/zinc/53/41/17/628534117.db2.gz BZLFRIIPNJMDMK-KBMXLJTQSA-N 2 3 261.413 2.054 20 0 CEADHP C1=C(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925710663 628558342 /nfs/dbraw/zinc/55/83/42/628558342.db2.gz XTYBTBSRNBYHTL-SJORKVTESA-N 2 3 277.456 2.054 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456732 635139590 /nfs/dbraw/zinc/13/95/90/635139590.db2.gz KDMZGDARDRNQDK-HWMZRRJGSA-N 2 3 277.456 2.063 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456732 635139592 /nfs/dbraw/zinc/13/95/92/635139592.db2.gz KDMZGDARDRNQDK-HWMZRRJGSA-N 2 3 277.456 2.063 20 0 CEADHP C[C@]1(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350308 635584408 /nfs/dbraw/zinc/58/44/08/635584408.db2.gz KRBYMYLSYQASSB-IKGGRYGDSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350308 635584412 /nfs/dbraw/zinc/58/44/12/635584412.db2.gz KRBYMYLSYQASSB-IKGGRYGDSA-N 2 3 279.472 2.088 20 0 CEADHP [NH3+]Cc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000904359053 635587958 /nfs/dbraw/zinc/58/79/58/635587958.db2.gz WXPNHLVPSFSMHE-IRXDYDNUSA-N 2 3 273.424 2.109 20 0 CEADHP CC(C)[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC001206581469 813022942 /nfs/dbraw/zinc/02/29/42/813022942.db2.gz JENPHMZJYNXQOJ-HZPDHXFCSA-N 2 3 267.461 2.229 20 0 CEADHP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC001206581469 813022952 /nfs/dbraw/zinc/02/29/52/813022952.db2.gz JENPHMZJYNXQOJ-HZPDHXFCSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@H](C[NH2+][C@H]1CCN[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001246331409 813780656 /nfs/dbraw/zinc/78/06/56/813780656.db2.gz ACFVZOZUEZAEKV-IHRRRGAJSA-N 2 3 255.450 2.118 20 0 CEADHP [NH3+]CC1CCN([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246541067 813956425 /nfs/dbraw/zinc/95/64/25/813956425.db2.gz YICWWKBGEIWBNO-HNNXBMFYSA-N 2 3 265.445 2.112 20 0 CEADHP C1[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CC[NH2+]CC2 ZINC000643536058 373192190 /nfs/dbraw/zinc/19/21/90/373192190.db2.gz MNMHNARPBLPTDH-XUWVNRHRSA-N 2 3 277.456 2.029 20 0 CEADHP C1[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCCN2)C12CC[NH2+]CC2 ZINC000643536058 373192197 /nfs/dbraw/zinc/19/21/97/373192197.db2.gz MNMHNARPBLPTDH-XUWVNRHRSA-N 2 3 277.456 2.029 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)CN1CCCCC1 ZINC000310945164 376647574 /nfs/dbraw/zinc/64/75/74/376647574.db2.gz XPDQTXRKJUNWQP-LSDHHAIUSA-N 2 3 255.450 2.216 20 0 CEADHP C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422985935 376907278 /nfs/dbraw/zinc/90/72/78/376907278.db2.gz FZBJZKODLYDTNB-YOEHRIQHSA-N 2 3 288.439 2.028 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422998854 376917432 /nfs/dbraw/zinc/91/74/32/376917432.db2.gz RFASBHNJVRXEFF-HZPDHXFCSA-N 2 3 269.477 2.462 20 0 CEADHP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)CN1CCCC1 ZINC000423069575 376961427 /nfs/dbraw/zinc/96/14/27/376961427.db2.gz DWMQZVQFCWZRHO-UHFFFAOYSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423295984 377224360 /nfs/dbraw/zinc/22/43/60/377224360.db2.gz YCCVZELPDKWFNG-HEHGZKQESA-N 2 3 261.413 2.184 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422882633 394848356 /nfs/dbraw/zinc/84/83/56/394848356.db2.gz PIAWPPIMUCMPGP-VVLHAWIVSA-N 2 3 281.488 2.462 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422882633 394848358 /nfs/dbraw/zinc/84/83/58/394848358.db2.gz PIAWPPIMUCMPGP-VVLHAWIVSA-N 2 3 281.488 2.462 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422886099 394850487 /nfs/dbraw/zinc/85/04/87/394850487.db2.gz WBRSWVBJJHROFQ-IRXDYDNUSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@H](CCC[NH3+])N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369359 394904217 /nfs/dbraw/zinc/90/42/17/394904217.db2.gz OMAICTGADINJQA-KFNAQCHYSA-N 2 3 297.393 2.127 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423421266 394917951 /nfs/dbraw/zinc/91/79/51/394917951.db2.gz JYLUNGYMJURWCT-MGBSGCIJSA-N 2 3 273.424 2.486 20 0 CEADHP C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C[NH+]1CCCCC1 ZINC000420335398 395332927 /nfs/dbraw/zinc/33/29/27/395332927.db2.gz UVCUQDWHSSWFMN-IAGOWNOFSA-N 2 3 279.472 2.184 20 0 CEADHP C[C@@H]1CNC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000647547949 395732503 /nfs/dbraw/zinc/73/25/03/395732503.db2.gz MXWQZNVGOQELMM-IMJJTQAJSA-N 2 3 261.413 2.054 20 0 CEADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300101 415688799 /nfs/dbraw/zinc/68/87/99/415688799.db2.gz YJOGACGHXRLQKU-WMLDXEAASA-N 2 3 279.472 2.086 20 0 CEADHP N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794158 270771961 /nfs/dbraw/zinc/77/19/61/270771961.db2.gz YIIYBHQATIDRBN-DLBZAZTESA-N 2 3 273.424 2.252 20 0 CEADHP C[NH+]1CCC(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000132065559 277026629 /nfs/dbraw/zinc/02/66/29/277026629.db2.gz VCMCYAHNEXQUKC-HZPDHXFCSA-N 2 3 259.397 2.063 20 0 CEADHP C1[C@@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437443 281041780 /nfs/dbraw/zinc/04/17/80/281041780.db2.gz QOVHNAQSVXPBTC-CWQOZTLDSA-N 2 3 291.483 2.275 20 0 CEADHP C1[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437443 281041782 /nfs/dbraw/zinc/04/17/82/281041782.db2.gz QOVHNAQSVXPBTC-CWQOZTLDSA-N 2 3 291.483 2.275 20 0 CEADHP C1[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437446 281041866 /nfs/dbraw/zinc/04/18/66/281041866.db2.gz QOVHNAQSVXPBTC-QXDIGNSFSA-N 2 3 291.483 2.275 20 0 CEADHP C1[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437446 281041869 /nfs/dbraw/zinc/04/18/69/281041869.db2.gz QOVHNAQSVXPBTC-QXDIGNSFSA-N 2 3 291.483 2.275 20 0 CEADHP C[C@@H]([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727537 628646575 /nfs/dbraw/zinc/64/65/75/628646575.db2.gz HLBUMCHAFXTFGB-KBRIMQKVSA-N 2 3 279.472 2.132 20 0 CEADHP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472548 628833930 /nfs/dbraw/zinc/83/39/30/628833930.db2.gz CPLCVXJUXPHUBA-MJGOQNOKSA-N 2 3 299.462 2.248 20 0 CEADHP C[N@H+]1CCC[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472548 628833934 /nfs/dbraw/zinc/83/39/34/628833934.db2.gz CPLCVXJUXPHUBA-MJGOQNOKSA-N 2 3 299.462 2.248 20 0 CEADHP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)CN1CCCCC1 ZINC000054243336 630755127 /nfs/dbraw/zinc/75/51/27/630755127.db2.gz CZUYDRQXHGWNHF-HNNXBMFYSA-N 2 3 267.461 2.040 20 0 CEADHP CC1([NH+]2CCCC2)CCC([NH2+]C2CCNCC2)CC1 ZINC000903985756 635404682 /nfs/dbraw/zinc/40/46/82/635404682.db2.gz AUTHMRKMNOAWTM-UHFFFAOYSA-N 2 3 265.445 2.125 20 0 CEADHP C[C@]1(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350310 635583910 /nfs/dbraw/zinc/58/39/10/635583910.db2.gz KRBYMYLSYQASSB-ZACQAIPSSA-N 2 3 279.472 2.088 20 0 CEADHP C[C@]1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCCNC1 ZINC000904350310 635583916 /nfs/dbraw/zinc/58/39/16/635583916.db2.gz KRBYMYLSYQASSB-ZACQAIPSSA-N 2 3 279.472 2.088 20 0 CEADHP CC(C)N1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841031884 639624209 /nfs/dbraw/zinc/62/42/09/639624209.db2.gz AEJSBCLXAJFCFC-UHFFFAOYSA-N 2 3 275.440 2.150 20 0 CEADHP CC(C)[C@H]([NH2+]C1CCC2(CCC[NH2+]C2)CC1)C1CNC1 ZINC001246520451 813887110 /nfs/dbraw/zinc/88/71/10/813887110.db2.gz WBAFBBBVTXMKMA-CGZBRXJRSA-N 2 3 279.472 2.132 20 0 CEADHP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246580124 814150708 /nfs/dbraw/zinc/15/07/08/814150708.db2.gz VZABQMFDLKLFIG-JYJNAYRXSA-N 2 3 267.461 2.214 20 0 CEADHP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246580124 814150711 /nfs/dbraw/zinc/15/07/11/814150711.db2.gz VZABQMFDLKLFIG-JYJNAYRXSA-N 2 3 267.461 2.214 20 0 CEADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423138490 377036717 /nfs/dbraw/zinc/03/67/17/377036717.db2.gz SYZWLEATXIWTSQ-CVEARBPZSA-N 2 3 267.461 2.360 20 0 CEADHP CN(C)Cc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422801605 394797059 /nfs/dbraw/zinc/79/70/59/394797059.db2.gz CCEUMFRLLRPBRR-UHFFFAOYSA-N 2 3 275.440 2.355 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422991174 394876056 /nfs/dbraw/zinc/87/60/56/394876056.db2.gz ONUPUPBSZVZCFE-CQSZACIVSA-N 2 3 276.428 2.015 20 0 CEADHP C[C@@H](N)C[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876321 394843904 /nfs/dbraw/zinc/84/39/04/394843904.db2.gz GEALWTFWHUKWDV-CABCVRRESA-N 2 3 255.450 2.214 20 0 CEADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422879701 394846242 /nfs/dbraw/zinc/84/62/42/394846242.db2.gz KTLVQRAYDSJQBI-BZUAXINKSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422879701 394846244 /nfs/dbraw/zinc/84/62/44/394846244.db2.gz KTLVQRAYDSJQBI-BZUAXINKSA-N 2 3 267.461 2.358 20 0 CEADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422913422 394860942 /nfs/dbraw/zinc/86/09/42/394860942.db2.gz QBOJABQYSLCBJJ-DLBZAZTESA-N 2 3 275.440 2.496 20 0 CEADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422913422 394860943 /nfs/dbraw/zinc/86/09/43/394860943.db2.gz QBOJABQYSLCBJJ-DLBZAZTESA-N 2 3 275.440 2.496 20 0 CEADHP C1=C(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC[NH2+]C1 ZINC000423534681 394947147 /nfs/dbraw/zinc/94/71/47/394947147.db2.gz AQJBVIZAFVHOPL-GVDBMIGSSA-N 2 3 277.456 2.197 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323593 395326115 /nfs/dbraw/zinc/32/61/15/395326115.db2.gz GFQZCFPQGSHUMM-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323593 395326118 /nfs/dbraw/zinc/32/61/18/395326118.db2.gz GFQZCFPQGSHUMM-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323593 395326120 /nfs/dbraw/zinc/32/61/20/395326120.db2.gz GFQZCFPQGSHUMM-CVEARBPZSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652355615 401493095 /nfs/dbraw/zinc/49/30/95/401493095.db2.gz BCDLGGFZFOLHNO-HOCLYGCPSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1CCN ZINC000652355615 401493097 /nfs/dbraw/zinc/49/30/97/401493097.db2.gz BCDLGGFZFOLHNO-HOCLYGCPSA-N 2 3 267.461 2.216 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363506 401495456 /nfs/dbraw/zinc/49/54/56/401495456.db2.gz GPFJQUIOSOQRCF-BRWVUGGUSA-N 2 3 297.487 2.079 20 0 CEADHP CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363506 401495459 /nfs/dbraw/zinc/49/54/59/401495459.db2.gz GPFJQUIOSOQRCF-BRWVUGGUSA-N 2 3 297.487 2.079 20 0 CEADHP CC[NH+]1CCC(CCN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422779287 270764634 /nfs/dbraw/zinc/76/46/34/270764634.db2.gz FSMSAEZPMAHZOW-ZBFHGGJFSA-N 2 3 267.461 2.229 20 0 CEADHP C[NH+]1CCC(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000132065768 277026827 /nfs/dbraw/zinc/02/68/27/277026827.db2.gz VCMCYAHNEXQUKC-CVEARBPZSA-N 2 3 259.397 2.063 20 0 CEADHP C[NH+]1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000054243200 289878796 /nfs/dbraw/zinc/87/87/96/289878796.db2.gz VFYRZUBTAVUKOZ-UHFFFAOYSA-N 2 3 267.461 2.181 20 0 CEADHP [NH3+]CCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000577626460 314397932 /nfs/dbraw/zinc/39/79/32/314397932.db2.gz GSWFWBUNLURHGF-XHSDSOJGSA-N 2 3 261.413 2.326 20 0 CEADHP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CN1CCCC1 ZINC000062078338 538750597 /nfs/dbraw/zinc/75/05/97/538750597.db2.gz KVFPKGISALNHOL-HUUCEWRRSA-N 2 3 267.461 2.038 20 0 CEADHP NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882775 628981912 /nfs/dbraw/zinc/98/19/12/628981912.db2.gz UGTBBPGGBLNGNW-DZJNRPSUSA-N 2 3 287.451 2.153 20 0 CEADHP [NH3+]Cc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000904359054 635587914 /nfs/dbraw/zinc/58/79/14/635587914.db2.gz WXPNHLVPSFSMHE-SJORKVTESA-N 2 3 273.424 2.109 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416075 635621269 /nfs/dbraw/zinc/62/12/69/635621269.db2.gz GEPWJTOPTDXVLY-WBVHZDCISA-N 2 3 281.488 2.462 20 0 CEADHP NCC1(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232228 649603484 /nfs/dbraw/zinc/60/34/84/649603484.db2.gz NMJIBLSIDHKWPX-GOEBONIOSA-N 2 3 279.472 2.345 20 0 CEADHP NCC1(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232228 649603486 /nfs/dbraw/zinc/60/34/86/649603486.db2.gz NMJIBLSIDHKWPX-GOEBONIOSA-N 2 3 279.472 2.345 20 0 CEADHP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000715544900 814974741 /nfs/dbraw/zinc/97/47/41/814974741.db2.gz UZIZBXRNJJCGCW-UIDBIOKJSA-N 2 3 267.461 2.356 20 0 CEADHP C[C@]1(CNC2CCC3(CCC[NH2+]C3)CC2)CCC[NH2+]1 ZINC001246458546 813839389 /nfs/dbraw/zinc/83/93/89/813839389.db2.gz YWWGZPSVMGYRPC-HWOWSKLDSA-N 2 3 265.445 2.031 20 0 CEADHP CC[NH+](CC)C1CCC([N@H+](C)C[C@@H](C)CN)CC1 ZINC001173107183 815581341 /nfs/dbraw/zinc/58/13/41/815581341.db2.gz KVUJKKNAMMFFRV-NFOMZHRRSA-N 2 3 255.450 2.166 20 0 CEADHP CC[NH+](CC)C1CCC([N@@H+](C)C[C@@H](C)CN)CC1 ZINC001173107183 815581346 /nfs/dbraw/zinc/58/13/46/815581346.db2.gz KVUJKKNAMMFFRV-NFOMZHRRSA-N 2 3 255.450 2.166 20 0 CEADHP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCCC[NH3+] ZINC000415118817 540250493 /nfs/dbraw/zinc/25/04/93/540250493.db2.gz JXDFIHGIFIFGJZ-HNNXBMFYSA-N 2 3 275.440 2.499 20 0 CEADHP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCCC[NH3+] ZINC000415118817 540250495 /nfs/dbraw/zinc/25/04/95/540250495.db2.gz JXDFIHGIFIFGJZ-HNNXBMFYSA-N 2 3 275.440 2.499 20 0 CEADHP CC1CC[NH+](C[C@H]2CCCN(CC3CC[NH2+]CC3)C2)CC1 ZINC000178979505 368318859 /nfs/dbraw/zinc/31/88/59/368318859.db2.gz ZOYXZCBDOOTDOK-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC000178979505 368318867 /nfs/dbraw/zinc/31/88/67/368318867.db2.gz ZOYXZCBDOOTDOK-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC000178979505 368318876 /nfs/dbraw/zinc/31/88/76/368318876.db2.gz ZOYXZCBDOOTDOK-GOSISDBHSA-N 2 3 293.499 2.430 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423171372 377079254 /nfs/dbraw/zinc/07/92/54/377079254.db2.gz ZYNMBFZPAJAAAX-CYBMUJFWSA-N 2 3 290.455 2.374 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423171372 377079259 /nfs/dbraw/zinc/07/92/59/377079259.db2.gz ZYNMBFZPAJAAAX-CYBMUJFWSA-N 2 3 290.455 2.374 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000423295630 377225411 /nfs/dbraw/zinc/22/54/11/377225411.db2.gz XDEPVKRAZYIJHN-DVOMOZLQSA-N 2 3 261.413 2.136 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000423295630 377225416 /nfs/dbraw/zinc/22/54/16/377225416.db2.gz XDEPVKRAZYIJHN-DVOMOZLQSA-N 2 3 261.413 2.136 20 0 CEADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCC[NH3+])CC1 ZINC000414897128 296329362 /nfs/dbraw/zinc/32/93/62/296329362.db2.gz AVPHSGKRXBQWPQ-ZBFHGGJFSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC[NH3+])CC1 ZINC000414897128 296329364 /nfs/dbraw/zinc/32/93/64/296329364.db2.gz AVPHSGKRXBQWPQ-ZBFHGGJFSA-N 2 3 267.461 2.358 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422736761 394748677 /nfs/dbraw/zinc/74/86/77/394748677.db2.gz WODUXRCTZOBTQE-LSVZVQIISA-N 2 3 267.461 2.370 20 0 CEADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422698420 394725401 /nfs/dbraw/zinc/72/54/01/394725401.db2.gz ZFHNGVASIUSIRS-IRXDYDNUSA-N 2 3 275.440 2.498 20 0 CEADHP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000422777997 394777597 /nfs/dbraw/zinc/77/75/97/394777597.db2.gz DHMHIAVUGZYFCR-AEFFLSMTSA-N 2 3 289.467 2.486 20 0 CEADHP CC[NH+]1CCC(CCN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422779282 394778329 /nfs/dbraw/zinc/77/83/29/394778329.db2.gz FSMSAEZPMAHZOW-GDBMZVCRSA-N 2 3 267.461 2.229 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422782309 394780763 /nfs/dbraw/zinc/78/07/63/394780763.db2.gz JTFIHMFMCSJQTG-GDBMZVCRSA-N 2 3 267.461 2.086 20 0 CEADHP CCC[NH+]1CCC(CN[C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422739719 394750493 /nfs/dbraw/zinc/75/04/93/394750493.db2.gz LPAVMXOMTMPGPD-HOTGVXAUSA-N 2 3 267.461 2.229 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@@H](CC)[C@@H]2CCCN2)CC1 ZINC000422739719 394750495 /nfs/dbraw/zinc/75/04/95/394750495.db2.gz LPAVMXOMTMPGPD-HOTGVXAUSA-N 2 3 267.461 2.229 20 0 CEADHP [NH3+]CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415057626 394867495 /nfs/dbraw/zinc/86/74/95/394867495.db2.gz RUYHRPLPRDQFRH-JKSUJKDBSA-N 2 3 261.413 2.198 20 0 CEADHP C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311527 395315222 /nfs/dbraw/zinc/31/52/22/395315222.db2.gz HDMKXJVQHUYXFP-NVXWUHKLSA-N 2 3 279.472 2.040 20 0 CEADHP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311527 395315225 /nfs/dbraw/zinc/31/52/25/395315225.db2.gz HDMKXJVQHUYXFP-NVXWUHKLSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311527 395315229 /nfs/dbraw/zinc/31/52/29/395315229.db2.gz HDMKXJVQHUYXFP-NVXWUHKLSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311527 395315234 /nfs/dbraw/zinc/31/52/34/395315234.db2.gz HDMKXJVQHUYXFP-NVXWUHKLSA-N 2 3 279.472 2.040 20 0 CEADHP C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420312028 395317035 /nfs/dbraw/zinc/31/70/35/395317035.db2.gz HPIWIOBYSOCBFY-IAGOWNOFSA-N 2 3 279.472 2.326 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904110 395770751 /nfs/dbraw/zinc/77/07/51/395770751.db2.gz WYIBANSHLOEGOO-IAGOWNOFSA-N 2 3 279.472 2.230 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000649413799 396147420 /nfs/dbraw/zinc/14/74/20/396147420.db2.gz GIBDYUHZNJOZNE-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000649413799 396147423 /nfs/dbraw/zinc/14/74/23/396147423.db2.gz GIBDYUHZNJOZNE-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000649413799 396147425 /nfs/dbraw/zinc/14/74/25/396147425.db2.gz GIBDYUHZNJOZNE-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC[NH+](C)CC1 ZINC000643523468 400703202 /nfs/dbraw/zinc/70/32/02/400703202.db2.gz PKNWBOAEZDMUGS-CYBMUJFWSA-N 2 3 273.424 2.110 20 0 CEADHP [NH3+][C@@H]1C[C@H](NCCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762177 401035630 /nfs/dbraw/zinc/03/56/30/401035630.db2.gz VZSZZMAFTPSGFF-CVEARBPZSA-N 2 3 259.397 2.111 20 0 CEADHP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CN1CCCCC1 ZINC000401021325 414749940 /nfs/dbraw/zinc/74/99/40/414749940.db2.gz KZBFWZSVFXYTMX-LTIDMASMSA-N 2 3 279.472 2.086 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000656199690 415634182 /nfs/dbraw/zinc/63/41/82/415634182.db2.gz AXRUKKHETMNFMM-ZHCJQAHYSA-N 2 3 279.472 2.227 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000656199689 415634529 /nfs/dbraw/zinc/63/45/29/415634529.db2.gz AXRUKKHETMNFMM-DMRKSPOLSA-N 2 3 279.472 2.227 20 0 CEADHP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253842 415652121 /nfs/dbraw/zinc/65/21/21/415652121.db2.gz AXLREDYZULFZKN-IAOVAPTHSA-N 2 3 293.430 2.378 20 0 CEADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1=CC[N@H+](C)CC1 ZINC000392212424 270340497 /nfs/dbraw/zinc/34/04/97/270340497.db2.gz KBUOKCRVXLYHDH-GOEBONIOSA-N 2 3 265.445 2.149 20 0 CEADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1=CC[N@@H+](C)CC1 ZINC000392212424 270340499 /nfs/dbraw/zinc/34/04/99/270340499.db2.gz KBUOKCRVXLYHDH-GOEBONIOSA-N 2 3 265.445 2.149 20 0 CEADHP CC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000335568842 276168566 /nfs/dbraw/zinc/16/85/66/276168566.db2.gz MKGHRZUSGJVBRD-LSDHHAIUSA-N 2 3 259.397 2.111 20 0 CEADHP C[NH+]1CCC(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000229937337 277026310 /nfs/dbraw/zinc/02/63/10/277026310.db2.gz NPBLZYCKIMACGZ-IAGOWNOFSA-N 2 3 273.424 2.453 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344347 622929607 /nfs/dbraw/zinc/92/96/07/622929607.db2.gz WROMCTDLERSUSL-LBPRGKRZSA-N 2 3 264.417 2.018 20 0 CEADHP CC1(C)C[NH2+]CC[C@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000902390491 634631832 /nfs/dbraw/zinc/63/18/32/634631832.db2.gz MPYKQIFKIBTXAG-INIZCTEOSA-N 2 3 275.440 2.056 20 0 CEADHP [NH3+]CCCCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925713795 628565342 /nfs/dbraw/zinc/56/53/42/628565342.db2.gz UECJXLDAXLEEOJ-JKSUJKDBSA-N 2 3 267.461 2.263 20 0 CEADHP C[C@H]([NH3+])[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724843 628627020 /nfs/dbraw/zinc/62/70/20/628627020.db2.gz DZAHCMOIWIMNOU-DARAHFNDSA-N 2 3 261.413 2.182 20 0 CEADHP CCN(C)C[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000844221899 640635654 /nfs/dbraw/zinc/63/56/54/640635654.db2.gz XYSHOMBNQKIBGY-OAHLLOKOSA-N 2 3 255.450 2.169 20 0 CEADHP CCN(C)C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844221899 640635658 /nfs/dbraw/zinc/63/56/58/640635658.db2.gz XYSHOMBNQKIBGY-OAHLLOKOSA-N 2 3 255.450 2.169 20 0 CEADHP CC[N@H+](C)C[C@H]1CCN(CCCCCCC[NH3+])C1 ZINC000844221899 640635660 /nfs/dbraw/zinc/63/56/60/640635660.db2.gz XYSHOMBNQKIBGY-OAHLLOKOSA-N 2 3 255.450 2.169 20 0 CEADHP CC[N@@H+](C)C[C@H]1CCN(CCCCCCC[NH3+])C1 ZINC000844221899 640635662 /nfs/dbraw/zinc/63/56/62/640635662.db2.gz XYSHOMBNQKIBGY-OAHLLOKOSA-N 2 3 255.450 2.169 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873213308 649592328 /nfs/dbraw/zinc/59/23/28/649592328.db2.gz UYVYIPHQZXOZAC-JOCQHMNTSA-N 2 3 293.480 2.249 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262329 649616016 /nfs/dbraw/zinc/61/60/16/649616016.db2.gz WYECVHSIVMEISH-RAZVHJQOSA-N 2 3 271.408 2.251 20 0 CEADHP CCCN1C[C@@H]2C[NH+](C3CCC([NH+](C)C)CC3)C[C@H]2C1 ZINC001168329587 806658346 /nfs/dbraw/zinc/65/83/46/806658346.db2.gz YHVLWWPDSWRQBJ-NUWOQIAWSA-N 2 3 279.472 2.133 20 0 CEADHP CC[NH+](CC)CCC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398966122 802928894 /nfs/dbraw/zinc/92/88/94/802928894.db2.gz RBMRDNVMUFLXFN-ILXRZTDVSA-N 2 3 255.450 2.227 20 0 CEADHP CC(C)(C)[C@H]1C[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246502540 813871193 /nfs/dbraw/zinc/87/11/93/813871193.db2.gz FTFSYCOFWDDOCB-HUUCEWRRSA-N 2 3 279.472 2.275 20 0 CEADHP CC[NH+]1CCC(CC2CC[NH+](C[C@@H](C)N)CC2)CC1 ZINC001236193315 808009925 /nfs/dbraw/zinc/00/99/25/808009925.db2.gz JRSZCVXIESKJIT-CQSZACIVSA-N 2 3 267.461 2.168 20 0 CEADHP C1[NH2+]CC12CCC(N1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246651483 814245294 /nfs/dbraw/zinc/24/52/94/814245294.db2.gz LRQYLNYDLQASTB-QGZVFWFLSA-N 2 3 277.456 2.127 20 0 CEADHP C1[NH2+]CC12CCC([N@@H+]1CCCC[C@]13CCCNC3)CC2 ZINC001246651483 814245296 /nfs/dbraw/zinc/24/52/96/814245296.db2.gz LRQYLNYDLQASTB-QGZVFWFLSA-N 2 3 277.456 2.127 20 0 CEADHP C1[NH2+]CC12CCC([N@H+]1CCCC[C@]13CCCNC3)CC2 ZINC001246651483 814245303 /nfs/dbraw/zinc/24/53/03/814245303.db2.gz LRQYLNYDLQASTB-QGZVFWFLSA-N 2 3 277.456 2.127 20 0 CEADHP C[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000635009015 369045831 /nfs/dbraw/zinc/04/58/31/369045831.db2.gz GAYCLMRRRDSGDU-UKRRQHHQSA-N 2 3 267.461 2.085 20 0 CEADHP CC(C)N1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635016510 369056306 /nfs/dbraw/zinc/05/63/06/369056306.db2.gz CHHKGRSKYNWVMQ-UHFFFAOYSA-N 2 3 287.451 2.295 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704654 375929930 /nfs/dbraw/zinc/92/99/30/375929930.db2.gz KROYRHBQFZGVSL-OAGGEKHMSA-N 2 3 267.461 2.038 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704654 375929934 /nfs/dbraw/zinc/92/99/34/375929934.db2.gz KROYRHBQFZGVSL-OAGGEKHMSA-N 2 3 267.461 2.038 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284964 377212719 /nfs/dbraw/zinc/21/27/19/377212719.db2.gz ZBFJQXDKPKZKBR-APHBMKBZSA-N 2 3 259.397 2.111 20 0 CEADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000423294955 377221548 /nfs/dbraw/zinc/22/15/48/377221548.db2.gz VVIJWQZHVKAQKM-VBNZEHGJSA-N 2 3 261.413 2.456 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000423295632 377225204 /nfs/dbraw/zinc/22/52/04/377225204.db2.gz XDEPVKRAZYIJHN-WWGRRREGSA-N 2 3 261.413 2.136 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000423295632 377225212 /nfs/dbraw/zinc/22/52/12/377225212.db2.gz XDEPVKRAZYIJHN-WWGRRREGSA-N 2 3 261.413 2.136 20 0 CEADHP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423337985 377269955 /nfs/dbraw/zinc/26/99/55/377269955.db2.gz HWXGDPWBZRLYRT-LPHOPBHVSA-N 2 3 299.462 2.406 20 0 CEADHP C[C@H](NCC1=CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337985 377269960 /nfs/dbraw/zinc/26/99/60/377269960.db2.gz HWXGDPWBZRLYRT-LPHOPBHVSA-N 2 3 299.462 2.406 20 0 CEADHP C[C@H](NCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337985 377269967 /nfs/dbraw/zinc/26/99/67/377269967.db2.gz HWXGDPWBZRLYRT-LPHOPBHVSA-N 2 3 299.462 2.406 20 0 CEADHP COC[C@H](CCC[NH3+])NC1CC[NH+](C2CCCCC2)CC1 ZINC000422826616 394814757 /nfs/dbraw/zinc/81/47/57/394814757.db2.gz RCBWXEVMWNGWAV-INIZCTEOSA-N 2 3 297.487 2.127 20 0 CEADHP COC[C@H](CCC[NH3+])[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422826616 394814762 /nfs/dbraw/zinc/81/47/62/394814762.db2.gz RCBWXEVMWNGWAV-INIZCTEOSA-N 2 3 297.487 2.127 20 0 CEADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422879704 394846116 /nfs/dbraw/zinc/84/61/16/394846116.db2.gz KTLVQRAYDSJQBI-OWCLPIDISA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422879704 394846118 /nfs/dbraw/zinc/84/61/18/394846118.db2.gz KTLVQRAYDSJQBI-OWCLPIDISA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423420550 394917937 /nfs/dbraw/zinc/91/79/37/394917937.db2.gz BNOSIPFMHJJBHI-QKPAOTATSA-N 2 3 267.461 2.404 20 0 CEADHP [NH3+][C@@H]1C[C@H](NCCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487371 394931983 /nfs/dbraw/zinc/93/19/83/394931983.db2.gz UGJKULLERSJYCB-MAZHCROVSA-N 2 3 259.397 2.253 20 0 CEADHP C[NH2+]CCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420354768 395343108 /nfs/dbraw/zinc/34/31/08/395343108.db2.gz DIPHRSZVYLQZKK-UHFFFAOYSA-N 2 3 267.461 2.184 20 0 CEADHP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000650756108 401032521 /nfs/dbraw/zinc/03/25/21/401032521.db2.gz USHOIGFZQWKLNM-JKSUJKDBSA-N 2 3 261.413 2.156 20 0 CEADHP CCN(CC)CCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293857 415758265 /nfs/dbraw/zinc/75/82/65/415758265.db2.gz UCWLHERTCLOSGB-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414847128 278341599 /nfs/dbraw/zinc/34/15/99/278341599.db2.gz VGQIDJBTQVWFAU-AWEZNQCLSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CN(C)C)CCCC1 ZINC000423037861 281004371 /nfs/dbraw/zinc/00/43/71/281004371.db2.gz NHYHWLIIGCTXNK-GJZGRUSLSA-N 2 3 267.461 2.086 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC1=CC[NH2+]CC1 ZINC000423540512 281065922 /nfs/dbraw/zinc/06/59/22/281065922.db2.gz QODBMNOUZFQGMX-ZBFHGGJFSA-N 2 3 265.445 2.197 20 0 CEADHP [NH3+]CCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000577626457 314398016 /nfs/dbraw/zinc/39/80/16/314398016.db2.gz GSWFWBUNLURHGF-JYJNAYRXSA-N 2 3 261.413 2.326 20 0 CEADHP NC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925713506 628565684 /nfs/dbraw/zinc/56/56/84/628565684.db2.gz WDJJYCJKSKBWJE-HNNXBMFYSA-N 2 3 261.413 2.328 20 0 CEADHP CN(CCCC[NH+]1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000903948364 635380295 /nfs/dbraw/zinc/38/02/95/635380295.db2.gz OLNSYAVVWQEIJP-MRXNPFEDSA-N 2 3 267.461 2.184 20 0 CEADHP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH3+])CC1 ZINC000414708021 540245277 /nfs/dbraw/zinc/24/52/77/540245277.db2.gz OLTFSMOJVABGAP-OAHLLOKOSA-N 2 3 267.461 2.312 20 0 CEADHP C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC[NH3+])CC1 ZINC000414708021 540245278 /nfs/dbraw/zinc/24/52/78/540245278.db2.gz OLTFSMOJVABGAP-OAHLLOKOSA-N 2 3 267.461 2.312 20 0 CEADHP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN1CCCC1 ZINC000062078332 538750933 /nfs/dbraw/zinc/75/09/33/538750933.db2.gz KVFPKGISALNHOL-GJZGRUSLSA-N 2 3 267.461 2.038 20 0 CEADHP C[NH+](C)CCCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340714465 366999877 /nfs/dbraw/zinc/99/98/77/366999877.db2.gz YFYWIBNPXCSWPA-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000635004684 369040380 /nfs/dbraw/zinc/04/03/80/369040380.db2.gz FXEPQUQOQJQBEJ-YJBOKZPZSA-N 2 3 289.467 2.266 20 0 CEADHP C[NH+]1CCC2(CCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC000639757847 371548565 /nfs/dbraw/zinc/54/85/65/371548565.db2.gz PZVCDYAZIBQOMF-UHFFFAOYSA-N 2 3 279.472 2.280 20 0 CEADHP C1[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CC[NH2+]CC2 ZINC000643536060 373191324 /nfs/dbraw/zinc/19/13/24/373191324.db2.gz MNMHNARPBLPTDH-ZJIFWQFVSA-N 2 3 277.456 2.029 20 0 CEADHP C1[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C12CC[NH2+]CC2 ZINC000643536060 373191330 /nfs/dbraw/zinc/19/13/30/373191330.db2.gz MNMHNARPBLPTDH-ZJIFWQFVSA-N 2 3 277.456 2.029 20 0 CEADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734250 375944015 /nfs/dbraw/zinc/94/40/15/375944015.db2.gz DJFVULNLALUSRW-HYVNUMGLSA-N 2 3 279.472 2.038 20 0 CEADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734250 375944020 /nfs/dbraw/zinc/94/40/20/375944020.db2.gz DJFVULNLALUSRW-HYVNUMGLSA-N 2 3 279.472 2.038 20 0 CEADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422708097 394730483 /nfs/dbraw/zinc/73/04/83/394730483.db2.gz BKSNJQVCHDKYCJ-GJZGRUSLSA-N 2 3 293.455 2.233 20 0 CEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422708098 394730902 /nfs/dbraw/zinc/73/09/02/394730902.db2.gz BKSNJQVCHDKYCJ-HUUCEWRRSA-N 2 3 293.455 2.233 20 0 CEADHP N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794160 394791258 /nfs/dbraw/zinc/79/12/58/394791258.db2.gz YIIYBHQATIDRBN-IAGOWNOFSA-N 2 3 273.424 2.252 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422874413 394842549 /nfs/dbraw/zinc/84/25/49/394842549.db2.gz CUJFFSSGBCDFDD-CVEARBPZSA-N 2 3 267.461 2.216 20 0 CEADHP CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647788530 395754811 /nfs/dbraw/zinc/75/48/11/395754811.db2.gz LIYFSYFMNKZAPB-OKZBNKHCSA-N 2 3 287.451 2.226 20 0 CEADHP CCN(C)C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414035 396148396 /nfs/dbraw/zinc/14/83/96/396148396.db2.gz CGKCWXMRVYXEMJ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(C)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414035 396148399 /nfs/dbraw/zinc/14/83/99/396148399.db2.gz CGKCWXMRVYXEMJ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CC[N@H+](C)C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414035 396148401 /nfs/dbraw/zinc/14/84/01/396148401.db2.gz CGKCWXMRVYXEMJ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CC[N@@H+](C)C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414035 396148404 /nfs/dbraw/zinc/14/84/04/396148404.db2.gz CGKCWXMRVYXEMJ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468039 414962493 /nfs/dbraw/zinc/96/24/93/414962493.db2.gz JYHQXNCAZRLPQA-NVXWUHKLSA-N 2 3 293.499 2.428 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000663495245 414969030 /nfs/dbraw/zinc/96/90/30/414969030.db2.gz WICLTZDQPNRORZ-WBVHZDCISA-N 2 3 275.440 2.083 20 0 CEADHP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000663495245 414969034 /nfs/dbraw/zinc/96/90/34/414969034.db2.gz WICLTZDQPNRORZ-WBVHZDCISA-N 2 3 275.440 2.083 20 0 CEADHP C[C@H]1CCNCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423126073 270844288 /nfs/dbraw/zinc/84/42/88/270844288.db2.gz AOPHSPXNYZTBMC-JKSUJKDBSA-N 2 3 267.461 2.230 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000423043708 281006139 /nfs/dbraw/zinc/00/61/39/281006139.db2.gz PTCGSKZNSQLIRP-RBSFLKMASA-N 2 3 267.461 2.356 20 0 CEADHP CCC[N@H+](C)C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220495 641228257 /nfs/dbraw/zinc/22/82/57/641228257.db2.gz QZZFOJNFQUYDKT-OAHLLOKOSA-N 2 3 255.450 2.169 20 0 CEADHP CCC[N@@H+](C)C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220495 641228262 /nfs/dbraw/zinc/22/82/62/641228262.db2.gz QZZFOJNFQUYDKT-OAHLLOKOSA-N 2 3 255.450 2.169 20 0 CEADHP NCC[C@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354908 643678499 /nfs/dbraw/zinc/67/84/99/643678499.db2.gz WXACWDKPWKHKNI-WTXIUTQJSA-N 2 3 265.445 2.110 20 0 CEADHP NCC[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354908 643678502 /nfs/dbraw/zinc/67/85/02/643678502.db2.gz WXACWDKPWKHKNI-WTXIUTQJSA-N 2 3 265.445 2.110 20 0 CEADHP [NH3+]CC[C@H]1CCCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354908 643678504 /nfs/dbraw/zinc/67/85/04/643678504.db2.gz WXACWDKPWKHKNI-WTXIUTQJSA-N 2 3 265.445 2.110 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261144 649615154 /nfs/dbraw/zinc/61/51/54/649615154.db2.gz LVCLGNPRFQYULM-REBRKWNGSA-N 2 3 288.439 2.030 20 0 CEADHP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695388205 803673563 /nfs/dbraw/zinc/67/35/63/803673563.db2.gz HCNSPYHWTVTBAB-GBESFXJTSA-N 2 3 299.462 2.050 20 0 CEADHP c1ccc(CN2CC[C@H]3C[N@H+](C[C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695388205 803673566 /nfs/dbraw/zinc/67/35/66/803673566.db2.gz HCNSPYHWTVTBAB-GBESFXJTSA-N 2 3 299.462 2.050 20 0 CEADHP CC(C)[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC001206581464 813022170 /nfs/dbraw/zinc/02/21/70/813022170.db2.gz JENPHMZJYNXQOJ-CVEARBPZSA-N 2 3 267.461 2.229 20 0 CEADHP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC001206581464 813022178 /nfs/dbraw/zinc/02/21/78/813022178.db2.gz JENPHMZJYNXQOJ-CVEARBPZSA-N 2 3 267.461 2.229 20 0 CEADHP CCCC[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)CCN1 ZINC001246254175 813753596 /nfs/dbraw/zinc/75/35/96/813753596.db2.gz XPUNUODMVCNUOX-NUEKZKHPSA-N 2 3 267.461 2.275 20 0 CEADHP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246580118 814151960 /nfs/dbraw/zinc/15/19/60/814151960.db2.gz VZABQMFDLKLFIG-HRCADAONSA-N 2 3 267.461 2.214 20 0 CEADHP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246580118 814151963 /nfs/dbraw/zinc/15/19/63/814151963.db2.gz VZABQMFDLKLFIG-HRCADAONSA-N 2 3 267.461 2.214 20 0 CEADHP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000093489626 364192486 /nfs/dbraw/zinc/19/24/86/364192486.db2.gz DHKJSFHQMAHCIO-OWLYRPNTSA-N 2 3 291.483 2.371 20 0 CEADHP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058285 367136059 /nfs/dbraw/zinc/13/60/59/367136059.db2.gz PICDVGLFKBEBBE-ZWKOTPCHSA-N 2 3 299.462 2.154 20 0 CEADHP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058285 367136064 /nfs/dbraw/zinc/13/60/64/367136064.db2.gz PICDVGLFKBEBBE-ZWKOTPCHSA-N 2 3 299.462 2.154 20 0 CEADHP CC1CC[NH+](C2CCC(NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000634996901 369026673 /nfs/dbraw/zinc/02/66/73/369026673.db2.gz YKHFVLQHXNLUCK-UHFFFAOYSA-N 2 3 291.483 2.371 20 0 CEADHP CC1CC[NH+](C2CCC([NH2+]CC34CC(C3)CN4)CC2)CC1 ZINC000634996901 369026676 /nfs/dbraw/zinc/02/66/76/369026676.db2.gz YKHFVLQHXNLUCK-UHFFFAOYSA-N 2 3 291.483 2.371 20 0 CEADHP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000380897452 375167284 /nfs/dbraw/zinc/16/72/84/375167284.db2.gz APHDGFTWKJQPDG-KSZLIROESA-N 2 3 287.451 2.368 20 0 CEADHP C[C@H]1C[C@@H](C[N@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732928 375942889 /nfs/dbraw/zinc/94/28/89/375942889.db2.gz JAUWKTCWZHZBSJ-RDJZCZTQSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@H]1C[C@@H](C[N@@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732928 375942892 /nfs/dbraw/zinc/94/28/92/375942892.db2.gz JAUWKTCWZHZBSJ-RDJZCZTQSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@H]1C[C@@H](CN(CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732928 375942895 /nfs/dbraw/zinc/94/28/95/375942895.db2.gz JAUWKTCWZHZBSJ-RDJZCZTQSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423292910 377222053 /nfs/dbraw/zinc/22/20/53/377222053.db2.gz OXWWVIXIHQBHHQ-APHBMKBZSA-N 2 3 261.413 2.313 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422735545 394747512 /nfs/dbraw/zinc/74/75/12/394747512.db2.gz FEACFVCHAFEKNV-LSDHHAIUSA-N 2 3 255.450 2.214 20 0 CEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422742844 394752896 /nfs/dbraw/zinc/75/28/96/394752896.db2.gz QUBTXORFMMJPMG-CYBMUJFWSA-N 2 3 290.455 2.231 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422745151 394755338 /nfs/dbraw/zinc/75/53/38/394755338.db2.gz UPWLZBLRQVPGNE-DLBZAZTESA-N 2 3 275.440 2.355 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422745151 394755341 /nfs/dbraw/zinc/75/53/41/394755341.db2.gz UPWLZBLRQVPGNE-DLBZAZTESA-N 2 3 275.440 2.355 20 0 CEADHP CC(C)C[C@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415051917 394864853 /nfs/dbraw/zinc/86/48/53/394864853.db2.gz JXOYAGJWNWWUKJ-JKSUJKDBSA-N 2 3 263.429 2.430 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876324 394843144 /nfs/dbraw/zinc/84/31/44/394843144.db2.gz GEALWTFWHUKWDV-LSDHHAIUSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000422885011 394849301 /nfs/dbraw/zinc/84/93/01/394849301.db2.gz SYRNGBYNBHZTBU-SOUVJXGZSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422885011 394849303 /nfs/dbraw/zinc/84/93/03/394849303.db2.gz SYRNGBYNBHZTBU-SOUVJXGZSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H](CCC[NH3+])N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369358 394904231 /nfs/dbraw/zinc/90/42/31/394904231.db2.gz OMAICTGADINJQA-FFSVYQOJSA-N 2 3 297.393 2.127 20 0 CEADHP CCCN(CCC)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647784458 395753864 /nfs/dbraw/zinc/75/38/64/395753864.db2.gz UOONSKJWCUSVMG-YESZJQIVSA-N 2 3 281.488 2.476 20 0 CEADHP CC(C)CN(C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000650741077 401017128 /nfs/dbraw/zinc/01/71/28/401017128.db2.gz XJMQVUKLWZEAEV-UHFFFAOYSA-N 2 3 255.450 2.071 20 0 CEADHP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2c(c1)CNCC2 ZINC000662275206 415741513 /nfs/dbraw/zinc/74/15/13/415741513.db2.gz VTGIZBVFVCVOMM-LJQANCHMSA-N 2 3 299.462 2.296 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422838715 280931893 /nfs/dbraw/zinc/93/18/93/280931893.db2.gz PAJJBJSJMZAGNL-IRXDYDNUSA-N 2 3 281.488 2.462 20 0 CEADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925632474 628327583 /nfs/dbraw/zinc/32/75/83/628327583.db2.gz RVLDPPPKNYKNHV-SJORKVTESA-N 2 3 293.499 2.476 20 0 CEADHP C[C@H]([NH3+])[C@H](N[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000925727779 628647186 /nfs/dbraw/zinc/64/71/86/628647186.db2.gz HXJSLWPSJVLYAH-XEZPLFJOSA-N 2 3 261.413 2.053 20 0 CEADHP C[N@@H+]1CCC[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472540 628834424 /nfs/dbraw/zinc/83/44/24/628834424.db2.gz CPLCVXJUXPHUBA-HKUYNNGSSA-N 2 3 299.462 2.248 20 0 CEADHP C[N@H+]1CCC[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472540 628834426 /nfs/dbraw/zinc/83/44/26/628834426.db2.gz CPLCVXJUXPHUBA-HKUYNNGSSA-N 2 3 299.462 2.248 20 0 CEADHP CC[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925488896 644321862 /nfs/dbraw/zinc/32/18/62/644321862.db2.gz VXWMVGOKSJXUMY-PMPSAXMXSA-N 2 3 279.472 2.085 20 0 CEADHP CCCN1C[C@H]2C[NH+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168329586 806658672 /nfs/dbraw/zinc/65/86/72/806658672.db2.gz YHVLWWPDSWRQBJ-JUVOFCAFSA-N 2 3 279.472 2.133 20 0 CEADHP C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000715545771 814975118 /nfs/dbraw/zinc/97/51/18/814975118.db2.gz YDGPEYBYWZJPBP-CWRNSKLLSA-N 2 3 267.461 2.179 20 0 CEADHP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CNC3)CCC[C@@H]1C[NH3+] ZINC001206023563 811691046 /nfs/dbraw/zinc/69/10/46/811691046.db2.gz FUZZNJBKERUDOZ-DZGCQCFKSA-N 2 3 273.424 2.097 20 0 CEADHP C[C@H]1C[N@H+](Cc2ccc3c(c2)CNC3)CCC[C@@H]1C[NH3+] ZINC001206023563 811691043 /nfs/dbraw/zinc/69/10/43/811691043.db2.gz FUZZNJBKERUDOZ-DZGCQCFKSA-N 2 3 273.424 2.097 20 0 CEADHP CCC1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNCC1 ZINC001246422240 813817277 /nfs/dbraw/zinc/81/72/77/813817277.db2.gz AYVYGTPJRSUTBE-UHFFFAOYSA-N 2 3 279.472 2.421 20 0 CEADHP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646972 814243351 /nfs/dbraw/zinc/24/33/51/814243351.db2.gz REEDGNNESUTXOE-IKGGRYGDSA-N 2 3 279.472 2.371 20 0 CEADHP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246646972 814243357 /nfs/dbraw/zinc/24/33/57/814243357.db2.gz REEDGNNESUTXOE-IKGGRYGDSA-N 2 3 279.472 2.371 20 0 CEADHP NCC[C@@H]1CCC[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246832626 814272376 /nfs/dbraw/zinc/27/23/76/814272376.db2.gz ISLZYYXAINVWGH-AWEZNQCLSA-N 2 3 265.445 2.112 20 0 CEADHP NCC[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246832626 814272380 /nfs/dbraw/zinc/27/23/80/814272380.db2.gz ISLZYYXAINVWGH-AWEZNQCLSA-N 2 3 265.445 2.112 20 0 CEADHP CC(C)N(C)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000221927707 539222792 /nfs/dbraw/zinc/22/27/92/539222792.db2.gz RGYOAQKMDKQPHS-CQSZACIVSA-N 2 3 255.450 2.037 20 0 CEADHP CCCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093451421 283320951 /nfs/dbraw/zinc/32/09/51/283320951.db2.gz MIVZAMOMSVHZIZ-IXDOHACOSA-N 2 3 279.472 2.371 20 0 CEADHP C[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000635009014 369045409 /nfs/dbraw/zinc/04/54/09/369045409.db2.gz GAYCLMRRRDSGDU-HIFRSBDPSA-N 2 3 267.461 2.085 20 0 CEADHP CC[NH+](CC)C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359217584 371380328 /nfs/dbraw/zinc/38/03/28/371380328.db2.gz SKGNOGIOCXGQJK-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217584 371380333 /nfs/dbraw/zinc/38/03/33/371380333.db2.gz SKGNOGIOCXGQJK-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217584 371380337 /nfs/dbraw/zinc/38/03/37/371380337.db2.gz SKGNOGIOCXGQJK-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CC[NH+](CC)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261803755 371738193 /nfs/dbraw/zinc/73/81/93/371738193.db2.gz HEYJFYHEIPIKNQ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000261803755 371738196 /nfs/dbraw/zinc/73/81/96/371738196.db2.gz HEYJFYHEIPIKNQ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422998069 376914792 /nfs/dbraw/zinc/91/47/92/376914792.db2.gz PKJVBBFCDSPCJH-CABCVRRESA-N 2 3 255.450 2.071 20 0 CEADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423126070 377024359 /nfs/dbraw/zinc/02/43/59/377024359.db2.gz AOPHSPXNYZTBMC-CVEARBPZSA-N 2 3 267.461 2.230 20 0 CEADHP C[C@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)CNCC3)CC[NH2+]CC2 ZINC000563270801 377150748 /nfs/dbraw/zinc/15/07/48/377150748.db2.gz ASEVTAWDEPDCGY-HNNXBMFYSA-N 2 3 299.462 2.296 20 0 CEADHP C[C@H]1CC2(C[N@H+]1Cc1ccc3c(c1)CNCC3)CC[NH2+]CC2 ZINC000563270801 377150753 /nfs/dbraw/zinc/15/07/53/377150753.db2.gz ASEVTAWDEPDCGY-HNNXBMFYSA-N 2 3 299.462 2.296 20 0 CEADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000423294952 377223224 /nfs/dbraw/zinc/22/32/24/377223224.db2.gz VVIJWQZHVKAQKM-APHBMKBZSA-N 2 3 261.413 2.456 20 0 CEADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423295986 377224739 /nfs/dbraw/zinc/22/47/39/377224739.db2.gz YCCVZELPDKWFNG-XEZPLFJOSA-N 2 3 261.413 2.184 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166713515 542211185 /nfs/dbraw/zinc/21/11/85/542211185.db2.gz PRXLKULUYORYKI-DLBZAZTESA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166713515 542211190 /nfs/dbraw/zinc/21/11/90/542211190.db2.gz PRXLKULUYORYKI-DLBZAZTESA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166713515 542211194 /nfs/dbraw/zinc/21/11/94/542211194.db2.gz PRXLKULUYORYKI-DLBZAZTESA-N 2 3 279.472 2.325 20 0 CEADHP C[N@H+](CCCCN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894748 /nfs/dbraw/zinc/89/47/48/378894748.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCCN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894750 /nfs/dbraw/zinc/89/47/50/378894750.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894752 /nfs/dbraw/zinc/89/47/52/378894752.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894754 /nfs/dbraw/zinc/89/47/54/378894754.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@H+](CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894757 /nfs/dbraw/zinc/89/47/57/378894757.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894760 /nfs/dbraw/zinc/89/47/60/378894760.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 2 3 265.445 2.077 20 0 CEADHP C(CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359209447 394744199 /nfs/dbraw/zinc/74/41/99/394744199.db2.gz KMVBGFNKQBTIBC-KRWDZBQOSA-N 2 3 279.472 2.326 20 0 CEADHP CCC[NH+]1CCC(CN[C@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422739718 394750744 /nfs/dbraw/zinc/75/07/44/394750744.db2.gz LPAVMXOMTMPGPD-CVEARBPZSA-N 2 3 267.461 2.229 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@H](CC)[C@@H]2CCCN2)CC1 ZINC000422739718 394750747 /nfs/dbraw/zinc/75/07/47/394750747.db2.gz LPAVMXOMTMPGPD-CVEARBPZSA-N 2 3 267.461 2.229 20 0 CEADHP CC(C)C[C@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415051914 394864535 /nfs/dbraw/zinc/86/45/35/394864535.db2.gz JXOYAGJWNWWUKJ-HOTGVXAUSA-N 2 3 263.429 2.430 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000415079159 394878868 /nfs/dbraw/zinc/87/88/68/394878868.db2.gz HRIWJCSPZKMVRZ-KRWDZBQOSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876591 394844501 /nfs/dbraw/zinc/84/45/01/394844501.db2.gz GLFGXOZQWGSDAN-FZKCQIBNSA-N 2 3 269.477 2.460 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876591 394844504 /nfs/dbraw/zinc/84/45/04/394844504.db2.gz GLFGXOZQWGSDAN-FZKCQIBNSA-N 2 3 269.477 2.460 20 0 CEADHP CCN(C)C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414034 396148475 /nfs/dbraw/zinc/14/84/75/396148475.db2.gz CGKCWXMRVYXEMJ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(C)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414034 396148477 /nfs/dbraw/zinc/14/84/77/396148477.db2.gz CGKCWXMRVYXEMJ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CC[N@H+](C)C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414034 396148479 /nfs/dbraw/zinc/14/84/79/396148479.db2.gz CGKCWXMRVYXEMJ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP CC[N@@H+](C)C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414034 396148482 /nfs/dbraw/zinc/14/84/82/396148482.db2.gz CGKCWXMRVYXEMJ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCC[NH3+])CC1 ZINC000414897125 287310987 /nfs/dbraw/zinc/31/09/87/287310987.db2.gz AVPHSGKRXBQWPQ-GDBMZVCRSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCC[NH3+])CC1 ZINC000414897125 287310990 /nfs/dbraw/zinc/31/09/90/287310990.db2.gz AVPHSGKRXBQWPQ-GDBMZVCRSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300102 415687685 /nfs/dbraw/zinc/68/76/85/415687685.db2.gz YJOGACGHXRLQKU-YOEHRIQHSA-N 2 3 279.472 2.086 20 0 CEADHP C[C@@H](NCCCCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000423135316 281018467 /nfs/dbraw/zinc/01/84/67/281018467.db2.gz NNESEYVLSKMNGR-HZPDHXFCSA-N 2 3 267.461 2.373 20 0 CEADHP C[C@H]([NH2+]CCCN(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924539147 625637027 /nfs/dbraw/zinc/63/70/27/625637027.db2.gz IBZYGGZFXLYLKN-AWEZNQCLSA-N 2 3 263.429 2.351 20 0 CEADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925686445 628492313 /nfs/dbraw/zinc/49/23/13/628492313.db2.gz UGSCKLJWUIRORU-NJAFHUGGSA-N 2 3 293.499 2.476 20 0 CEADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925686445 628492315 /nfs/dbraw/zinc/49/23/15/628492315.db2.gz UGSCKLJWUIRORU-NJAFHUGGSA-N 2 3 293.499 2.476 20 0 CEADHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(CC[NH3+])cc2)C1 ZINC000925689470 628500629 /nfs/dbraw/zinc/50/06/29/628500629.db2.gz ABFYVPIYHOXGNJ-HZPDHXFCSA-N 2 3 275.440 2.183 20 0 CEADHP C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C[C@@H]1CCC[NH2+]1 ZINC000925707533 628554814 /nfs/dbraw/zinc/55/48/14/628554814.db2.gz LBBSJTHBRNWASE-YESZJQIVSA-N 2 3 279.472 2.277 20 0 CEADHP [NH3+]CCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223477 641233349 /nfs/dbraw/zinc/23/33/49/641233349.db2.gz LJXGTPNHNPWYBB-RDJZCZTQSA-N 2 3 279.472 2.454 20 0 CEADHP [NH3+]CCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000846223477 641233355 /nfs/dbraw/zinc/23/33/55/641233355.db2.gz LJXGTPNHNPWYBB-RDJZCZTQSA-N 2 3 279.472 2.454 20 0 CEADHP C[C@H]1C[N@H+](Cc2cc3c(s2)CNCC3)CCC[C@@H]1C[NH3+] ZINC001206014827 811604970 /nfs/dbraw/zinc/60/49/70/811604970.db2.gz YGRXRWYVTKVTRC-GXTWGEPZSA-N 2 3 293.480 2.201 20 0 CEADHP C[C@H]1C[N@@H+](Cc2cc3c(s2)CNCC3)CCC[C@@H]1C[NH3+] ZINC001206014827 811604975 /nfs/dbraw/zinc/60/49/75/811604975.db2.gz YGRXRWYVTKVTRC-GXTWGEPZSA-N 2 3 293.480 2.201 20 0 CEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246226620 813740930 /nfs/dbraw/zinc/74/09/30/813740930.db2.gz AXMAQQXJIHOPSO-KFWWJZLASA-N 2 3 267.461 2.132 20 0 CEADHP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246501518 813874187 /nfs/dbraw/zinc/87/41/87/813874187.db2.gz AORQMYGXFKACPG-LVQVYYBASA-N 2 3 267.461 2.370 20 0 CEADHP C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246911064 814384316 /nfs/dbraw/zinc/38/43/16/814384316.db2.gz PDCZIWKKZMZNLY-AJNGGQMLSA-N 2 3 267.461 2.355 20 0 CEADHP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246911064 814384322 /nfs/dbraw/zinc/38/43/22/814384322.db2.gz PDCZIWKKZMZNLY-AJNGGQMLSA-N 2 3 267.461 2.355 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874228 394842171 /nfs/dbraw/zinc/84/21/71/394842171.db2.gz CIGPHZREAUMPEB-XUWVNRHRSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874228 394842174 /nfs/dbraw/zinc/84/21/74/394842174.db2.gz CIGPHZREAUMPEB-XUWVNRHRSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422884613 394848884 /nfs/dbraw/zinc/84/88/84/394848884.db2.gz SEFDBFHNWPUIOO-PMPSAXMXSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422884613 394848887 /nfs/dbraw/zinc/84/88/87/394848887.db2.gz SEFDBFHNWPUIOO-PMPSAXMXSA-N 2 3 267.461 2.216 20 0 CEADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311531 395314942 /nfs/dbraw/zinc/31/49/42/395314942.db2.gz HDMKXJVQHUYXFP-RDJZCZTQSA-N 2 3 279.472 2.040 20 0 CEADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311531 395314945 /nfs/dbraw/zinc/31/49/45/395314945.db2.gz HDMKXJVQHUYXFP-RDJZCZTQSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311531 395314949 /nfs/dbraw/zinc/31/49/49/395314949.db2.gz HDMKXJVQHUYXFP-RDJZCZTQSA-N 2 3 279.472 2.040 20 0 CEADHP CN(CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311531 395314952 /nfs/dbraw/zinc/31/49/52/395314952.db2.gz HDMKXJVQHUYXFP-RDJZCZTQSA-N 2 3 279.472 2.040 20 0 CEADHP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CN1CCCC1 ZINC000647794902 395756243 /nfs/dbraw/zinc/75/62/43/395756243.db2.gz FKGRKBHJHQAEGS-HRCADAONSA-N 2 3 279.472 2.086 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1=CC[N@H+](C)CC1 ZINC000392212426 270340050 /nfs/dbraw/zinc/34/00/50/270340050.db2.gz KBUOKCRVXLYHDH-ZBFHGGJFSA-N 2 3 265.445 2.149 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1=CC[N@@H+](C)CC1 ZINC000392212426 270340052 /nfs/dbraw/zinc/34/00/52/270340052.db2.gz KBUOKCRVXLYHDH-ZBFHGGJFSA-N 2 3 265.445 2.149 20 0 CEADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1=CC[N@H+](C)CC1 ZINC000392212425 270340110 /nfs/dbraw/zinc/34/01/10/270340110.db2.gz KBUOKCRVXLYHDH-HOCLYGCPSA-N 2 3 265.445 2.149 20 0 CEADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1=CC[N@@H+](C)CC1 ZINC000392212425 270340112 /nfs/dbraw/zinc/34/01/12/270340112.db2.gz KBUOKCRVXLYHDH-HOCLYGCPSA-N 2 3 265.445 2.149 20 0 CEADHP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CNC1 ZINC000422960044 270807985 /nfs/dbraw/zinc/80/79/85/270807985.db2.gz ALLBTNSQXQKZCE-OOHWJJMZSA-N 2 3 279.472 2.227 20 0 CEADHP C1[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437444 281041807 /nfs/dbraw/zinc/04/18/07/281041807.db2.gz QOVHNAQSVXPBTC-IECFSIQFSA-N 2 3 291.483 2.275 20 0 CEADHP C1[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCCN2)[C@@H]1C1CC[NH2+]CC1 ZINC000423437444 281041808 /nfs/dbraw/zinc/04/18/08/281041808.db2.gz QOVHNAQSVXPBTC-IECFSIQFSA-N 2 3 291.483 2.275 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423469062 281050791 /nfs/dbraw/zinc/05/07/91/281050791.db2.gz YJVNCUFRQCFUMB-LXTVHRRPSA-N 2 3 253.434 2.014 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCC[NH2+]C1CCCCCC1 ZINC000925699357 628535601 /nfs/dbraw/zinc/53/56/01/628535601.db2.gz OHTZVKUZGHECAT-KWOWKCNFSA-N 2 3 279.472 2.404 20 0 CEADHP [NH3+]CCC[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925705889 628551746 /nfs/dbraw/zinc/55/17/46/628551746.db2.gz IYFFNFMTEQJNNI-HRCADAONSA-N 2 3 273.424 2.326 20 0 CEADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000841033475 631827019 /nfs/dbraw/zinc/82/70/19/631827019.db2.gz OUAAJVNRCOMHGH-FGTMMUONSA-N 2 3 287.451 2.198 20 0 CEADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903482639 635150625 /nfs/dbraw/zinc/15/06/25/635150625.db2.gz NOQBRPIFHQZKJE-MXSMSXNCSA-N 2 3 293.499 2.462 20 0 CEADHP C[C@H]([NH3+])C1CC[NH+](C[C@@H](N)CCC(C)(C)C)CC1 ZINC000904299893 635552790 /nfs/dbraw/zinc/55/27/90/635552790.db2.gz QVQPODUYOQYZHF-JSGCOSHPSA-N 2 3 255.450 2.199 20 0 CEADHP C[C@@H]([NH3+])c1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000904351484 635585553 /nfs/dbraw/zinc/58/55/53/635585553.db2.gz ZTQSAGCAJJKRQD-CYBMUJFWSA-N 2 3 269.392 2.455 20 0 CEADHP [NH3+]CCCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000844221913 640635769 /nfs/dbraw/zinc/63/57/69/640635769.db2.gz YMAJXVHINVHZDC-UHFFFAOYSA-N 2 3 276.428 2.113 20 0 CEADHP C[NH+]1CCC(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000126373462 650604683 /nfs/dbraw/zinc/60/46/83/650604683.db2.gz YLTPNXYTSHEADH-UHFFFAOYSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923383057 810090100 /nfs/dbraw/zinc/09/01/00/810090100.db2.gz PLHIUARCMVWWRW-YKZFTENLSA-N 2 3 279.472 2.212 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923383057 810090104 /nfs/dbraw/zinc/09/01/04/810090104.db2.gz PLHIUARCMVWWRW-YKZFTENLSA-N 2 3 279.472 2.212 20 0 CEADHP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208810 813729816 /nfs/dbraw/zinc/72/98/16/813729816.db2.gz FESITHOQWLHYQM-FPCVCCKLSA-N 2 3 267.461 2.404 20 0 CEADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246227413 813740496 /nfs/dbraw/zinc/74/04/96/813740496.db2.gz CTYJJTXRXUCXQQ-ARFHVFGLSA-N 2 3 267.461 2.277 20 0 CEADHP C[C@@H](C[NH2+][C@H]1CCN[C@H](C)C1)CC(C)(C)CC[NH3+] ZINC001246331414 813781606 /nfs/dbraw/zinc/78/16/06/813781606.db2.gz ACFVZOZUEZAEKV-MCIONIFRSA-N 2 3 255.450 2.118 20 0 CEADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246501167 813874020 /nfs/dbraw/zinc/87/40/20/813874020.db2.gz AORQMYGXFKACPG-FPCVCCKLSA-N 2 3 267.461 2.370 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+]CC23CC(C2)CN3)CC1 ZINC000634995632 369025128 /nfs/dbraw/zinc/02/51/28/369025128.db2.gz KXVCGMJRRUMECN-UHFFFAOYSA-N 2 3 279.472 2.086 20 0 CEADHP CC(C)CC[NH+]1CCC(CNCC23CC(C2)C[NH2+]3)CC1 ZINC000634995632 369025131 /nfs/dbraw/zinc/02/51/31/369025131.db2.gz KXVCGMJRRUMECN-UHFFFAOYSA-N 2 3 279.472 2.086 20 0 CEADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008666 369045346 /nfs/dbraw/zinc/04/53/46/369045346.db2.gz GHQAZSWHICNESQ-SJORKVTESA-N 2 3 273.424 2.082 20 0 CEADHP CSC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000353649736 370121083 /nfs/dbraw/zinc/12/10/83/370121083.db2.gz OGUKTWAQNCBKSQ-HUUCEWRRSA-N 2 3 297.512 2.030 20 0 CEADHP CSC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000353649736 370121086 /nfs/dbraw/zinc/12/10/86/370121086.db2.gz OGUKTWAQNCBKSQ-HUUCEWRRSA-N 2 3 297.512 2.030 20 0 CEADHP CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422998853 376917002 /nfs/dbraw/zinc/91/70/02/376917002.db2.gz RFASBHNJVRXEFF-HOTGVXAUSA-N 2 3 269.477 2.462 20 0 CEADHP C[C@@H](NCC[C@H](C)[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423225271 377140487 /nfs/dbraw/zinc/14/04/87/377140487.db2.gz LZHYKLNEBKARHO-UONOGXRCSA-N 2 3 279.428 2.015 20 0 CEADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783055 394781747 /nfs/dbraw/zinc/78/17/47/394781747.db2.gz KNTHGRZEPQOPFZ-GJZGRUSLSA-N 2 3 275.440 2.498 20 0 CEADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422806702 394800164 /nfs/dbraw/zinc/80/01/64/394800164.db2.gz LBFVLMSOTDTMMD-CABCVRRESA-N 2 3 275.440 2.498 20 0 CEADHP CCO[C@H](CC[NH+](C)C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422866604 394838340 /nfs/dbraw/zinc/83/83/40/394838340.db2.gz QXEFZDMEZUXQCZ-BRWVUGGUSA-N 2 3 299.503 2.244 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323595 395325988 /nfs/dbraw/zinc/32/59/88/395325988.db2.gz GFQZCFPQGSHUMM-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323595 395325991 /nfs/dbraw/zinc/32/59/91/395325991.db2.gz GFQZCFPQGSHUMM-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323595 395325994 /nfs/dbraw/zinc/32/59/94/395325994.db2.gz GFQZCFPQGSHUMM-HZPDHXFCSA-N 2 3 267.461 2.040 20 0 CEADHP [NH3+][C@H]1C[C@@H](NCCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762180 401038160 /nfs/dbraw/zinc/03/81/60/401038160.db2.gz VZSZZMAFTPSGFF-JKSUJKDBSA-N 2 3 259.397 2.111 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000414971617 298892691 /nfs/dbraw/zinc/89/26/91/298892691.db2.gz WRCSGDGQWWLSTL-OWCLPIDISA-N 2 3 267.461 2.419 20 0 CEADHP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CN1CCCCC1 ZINC000401021328 414750412 /nfs/dbraw/zinc/75/04/12/414750412.db2.gz KZBFWZSVFXYTMX-QBPKDAKJSA-N 2 3 279.472 2.086 20 0 CEADHP CCN(CC)CCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293855 415758676 /nfs/dbraw/zinc/75/86/76/415758676.db2.gz UCWLHERTCLOSGB-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000335568841 276168516 /nfs/dbraw/zinc/16/85/16/276168516.db2.gz MKGHRZUSGJVBRD-HUUCEWRRSA-N 2 3 259.397 2.111 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000577274565 314358793 /nfs/dbraw/zinc/35/87/93/314358793.db2.gz OVCMEIOLAWWJTN-YFFKTUFESA-N 2 3 291.483 2.403 20 0 CEADHP C[C@@H]1C[C@@H](CN2CCC([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000235411865 625424432 /nfs/dbraw/zinc/42/44/32/625424432.db2.gz NWDOQGNKJNCRQO-CVEARBPZSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@@H]1C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)CC[NH2+]1 ZINC000235411865 625424436 /nfs/dbraw/zinc/42/44/36/625424436.db2.gz NWDOQGNKJNCRQO-CVEARBPZSA-N 2 3 279.472 2.325 20 0 CEADHP C[NH+]1CCC(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000229937353 622740412 /nfs/dbraw/zinc/74/04/12/622740412.db2.gz NPBLZYCKIMACGZ-IRXDYDNUSA-N 2 3 273.424 2.453 20 0 CEADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925686446 628492364 /nfs/dbraw/zinc/49/23/64/628492364.db2.gz UGSCKLJWUIRORU-NXHRZFHOSA-N 2 3 293.499 2.476 20 0 CEADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925686446 628492365 /nfs/dbraw/zinc/49/23/65/628492365.db2.gz UGSCKLJWUIRORU-NXHRZFHOSA-N 2 3 293.499 2.476 20 0 CEADHP [NH3+]CCCCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925713794 628565830 /nfs/dbraw/zinc/56/58/30/628565830.db2.gz UECJXLDAXLEEOJ-HZPDHXFCSA-N 2 3 267.461 2.263 20 0 CEADHP C[NH+]1CCC(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000895479182 630213823 /nfs/dbraw/zinc/21/38/23/630213823.db2.gz LLPFBRIXTOFBRQ-QGZVFWFLSA-N 2 3 279.472 2.040 20 0 CEADHP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](N)CCC(C)(C)C)CC1 ZINC000904299894 635554225 /nfs/dbraw/zinc/55/42/25/635554225.db2.gz QVQPODUYOQYZHF-OCCSQVGLSA-N 2 3 255.450 2.199 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000817880372 633750818 /nfs/dbraw/zinc/75/08/18/633750818.db2.gz QRHQRXXQXVPXIG-KFWWJZLASA-N 2 3 255.450 2.201 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000817880372 633750822 /nfs/dbraw/zinc/75/08/22/633750822.db2.gz QRHQRXXQXVPXIG-KFWWJZLASA-N 2 3 255.450 2.201 20 0 CEADHP CCC1(N2CCC2)CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903481544 635148190 /nfs/dbraw/zinc/14/81/90/635148190.db2.gz FRERBYCMJDCIED-CABCVRRESA-N 2 3 265.445 2.064 20 0 CEADHP CCC1([NH+]2CCC2)CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903481544 635148194 /nfs/dbraw/zinc/14/81/94/635148194.db2.gz FRERBYCMJDCIED-CABCVRRESA-N 2 3 265.445 2.064 20 0 CEADHP CC[NH+](CC)CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903734518 635250055 /nfs/dbraw/zinc/25/00/55/635250055.db2.gz ZMHWLVRHLULKPD-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CC(C)(C[NH3+])C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903791321 635263031 /nfs/dbraw/zinc/26/30/31/635263031.db2.gz SQCFOOBMVBEJOB-AWEZNQCLSA-N 2 3 267.461 2.073 20 0 CEADHP CCC1(N2CCC2)CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903953879 635386013 /nfs/dbraw/zinc/38/60/13/635386013.db2.gz MKZUBFAQHOPMPB-HOTGVXAUSA-N 2 3 279.472 2.325 20 0 CEADHP CCC1([NH+]2CCC2)CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903953879 635386015 /nfs/dbraw/zinc/38/60/15/635386015.db2.gz MKZUBFAQHOPMPB-HOTGVXAUSA-N 2 3 279.472 2.325 20 0 CEADHP C[C@@]1(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC000904416723 635621541 /nfs/dbraw/zinc/62/15/41/635621541.db2.gz QKABLFDUJVRQSY-FUHWJXTLSA-N 2 3 293.499 2.478 20 0 CEADHP NCC[C@@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354907 643678187 /nfs/dbraw/zinc/67/81/87/643678187.db2.gz WXACWDKPWKHKNI-UYTSQGDYSA-N 2 3 265.445 2.110 20 0 CEADHP NCC[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354907 643678189 /nfs/dbraw/zinc/67/81/89/643678189.db2.gz WXACWDKPWKHKNI-UYTSQGDYSA-N 2 3 265.445 2.110 20 0 CEADHP [NH3+]CC[C@@H]1CCCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354907 643678190 /nfs/dbraw/zinc/67/81/90/643678190.db2.gz WXACWDKPWKHKNI-UYTSQGDYSA-N 2 3 265.445 2.110 20 0 CEADHP [NH3+][C@H](C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156029 649299649 /nfs/dbraw/zinc/29/96/49/649299649.db2.gz CTZKGQCCNJKNEZ-ZMSDIMECSA-N 2 3 279.472 2.216 20 0 CEADHP [NH3+][C@H](C[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156027 649299695 /nfs/dbraw/zinc/29/96/95/649299695.db2.gz CTZKGQCCNJKNEZ-HLLBOEOZSA-N 2 3 279.472 2.216 20 0 CEADHP C[NH2+]CCCN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157699 649300390 /nfs/dbraw/zinc/30/03/90/649300390.db2.gz PRRYXPZYNFXLMD-ZBFHGGJFSA-N 2 3 267.461 2.216 20 0 CEADHP [NH3+]Cc1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873214014 649592443 /nfs/dbraw/zinc/59/24/43/649592443.db2.gz USSLCROYQOWGIR-UHFFFAOYSA-N 2 3 287.432 2.142 20 0 CEADHP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000873243155 649606851 /nfs/dbraw/zinc/60/68/51/649606851.db2.gz VNXKXBDDOIMSPK-JKSUJKDBSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923383052 810090433 /nfs/dbraw/zinc/09/04/33/810090433.db2.gz PLHIUARCMVWWRW-RGQNTSTHSA-N 2 3 279.472 2.212 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000923383052 810090435 /nfs/dbraw/zinc/09/04/35/810090435.db2.gz PLHIUARCMVWWRW-RGQNTSTHSA-N 2 3 279.472 2.212 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000635005860 369043142 /nfs/dbraw/zinc/04/31/42/369043142.db2.gz PSGFQLOJXPHJKR-CZPYZCIJSA-N 2 3 259.397 2.238 20 0 CEADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008664 369045797 /nfs/dbraw/zinc/04/57/97/369045797.db2.gz GHQAZSWHICNESQ-IAGOWNOFSA-N 2 3 273.424 2.082 20 0 CEADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCC[NH3+])CC1 ZINC000414897126 376011225 /nfs/dbraw/zinc/01/12/25/376011225.db2.gz AVPHSGKRXBQWPQ-GOEBONIOSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCC[NH3+])CC1 ZINC000414897126 376011229 /nfs/dbraw/zinc/01/12/29/376011229.db2.gz AVPHSGKRXBQWPQ-GOEBONIOSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423126071 377025639 /nfs/dbraw/zinc/02/56/39/377025639.db2.gz AOPHSPXNYZTBMC-HOTGVXAUSA-N 2 3 267.461 2.230 20 0 CEADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423165233 377069060 /nfs/dbraw/zinc/06/90/60/377069060.db2.gz AWYOLEHHLNMTIJ-KBRIMQKVSA-N 2 3 273.424 2.453 20 0 CEADHP C[N@H+]1CCC[C@H](CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423165233 377069063 /nfs/dbraw/zinc/06/90/63/377069063.db2.gz AWYOLEHHLNMTIJ-KBRIMQKVSA-N 2 3 273.424 2.453 20 0 CEADHP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC[NH2+]CC1 ZINC000423325339 377258616 /nfs/dbraw/zinc/25/86/16/377258616.db2.gz JLORKRZPYVDFAY-OWCLPIDISA-N 2 3 279.472 2.277 20 0 CEADHP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)CN1CCCCC1 ZINC000422708836 394731634 /nfs/dbraw/zinc/73/16/34/394731634.db2.gz JLTXLZKGUMGIND-QQFBHYJXSA-N 2 3 267.461 2.216 20 0 CEADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422698419 394725392 /nfs/dbraw/zinc/72/53/92/394725392.db2.gz ZFHNGVASIUSIRS-IAGOWNOFSA-N 2 3 275.440 2.498 20 0 CEADHP CCN(CC)CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420323526 395325927 /nfs/dbraw/zinc/32/59/27/395325927.db2.gz YLJLQOKEYPPCIQ-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793219 395755426 /nfs/dbraw/zinc/75/54/26/395755426.db2.gz PPNMFLLBBCYFLE-ZJPYXAASSA-N 2 3 293.499 2.332 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904109 395770919 /nfs/dbraw/zinc/77/09/19/395770919.db2.gz WYIBANSHLOEGOO-DLBZAZTESA-N 2 3 279.472 2.230 20 0 CEADHP CC[NH+](CC)CCCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647989146 395796437 /nfs/dbraw/zinc/79/64/37/395796437.db2.gz OYHCFMOGFNUCFE-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCC[N@H+](C)C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414406 396148539 /nfs/dbraw/zinc/14/85/39/396148539.db2.gz YGUBVGLNVLCFTH-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCC[N@@H+](C)C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414406 396148542 /nfs/dbraw/zinc/14/85/42/396148542.db2.gz YGUBVGLNVLCFTH-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414406 396148545 /nfs/dbraw/zinc/14/85/45/396148545.db2.gz YGUBVGLNVLCFTH-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414406 396148548 /nfs/dbraw/zinc/14/85/48/396148548.db2.gz YGUBVGLNVLCFTH-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP C[NH2+]Cc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000650755858 401032586 /nfs/dbraw/zinc/03/25/86/401032586.db2.gz OJVHDCKPAJNIEF-BBRMVZONSA-N 2 3 261.413 2.013 20 0 CEADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN(CC2CC2)C1 ZINC000665300016 415688715 /nfs/dbraw/zinc/68/87/15/415688715.db2.gz WMJWLVXEIXNPDO-VSZNYVQBSA-N 2 3 291.483 2.086 20 0 CEADHP [NH3+]Cc1ccc(CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656787289 415861679 /nfs/dbraw/zinc/86/16/79/415861679.db2.gz WNSGKGJCJVFMKG-UHFFFAOYSA-N 2 3 281.403 2.081 20 0 CEADHP C[C@H](NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423135315 281018504 /nfs/dbraw/zinc/01/85/04/281018504.db2.gz NNESEYVLSKMNGR-HOTGVXAUSA-N 2 3 267.461 2.373 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418259 281036306 /nfs/dbraw/zinc/03/63/06/281036306.db2.gz HGDRNIAEVWLKHB-QEJZJMRPSA-N 2 3 290.455 2.264 20 0 CEADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC1=CC[NH2+]CC1 ZINC000423540510 281066098 /nfs/dbraw/zinc/06/60/98/281066098.db2.gz QODBMNOUZFQGMX-HOCLYGCPSA-N 2 3 265.445 2.197 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003213 289728646 /nfs/dbraw/zinc/72/86/46/289728646.db2.gz FNGDBUBNIITOGX-BSWAZPDLSA-N 2 3 279.472 2.275 20 0 CEADHP C(CC[NH2+][C@H]1CCNC12CCC2)CCC1CC[NH2+]CC1 ZINC000925806720 628858188 /nfs/dbraw/zinc/85/81/88/628858188.db2.gz GXVDKDDIQRYYGK-INIZCTEOSA-N 2 3 279.472 2.421 20 0 CEADHP C[N@@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000817948844 633794910 /nfs/dbraw/zinc/79/49/10/633794910.db2.gz LWECJWNWEYUZHV-OKZBNKHCSA-N 2 3 287.451 2.150 20 0 CEADHP C[N@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000817948844 633794915 /nfs/dbraw/zinc/79/49/15/633794915.db2.gz LWECJWNWEYUZHV-OKZBNKHCSA-N 2 3 287.451 2.150 20 0 CEADHP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000873243154 649606742 /nfs/dbraw/zinc/60/67/42/649606742.db2.gz VNXKXBDDOIMSPK-HZPDHXFCSA-N 2 3 267.461 2.214 20 0 CEADHP C(C1CCN(C[C@H]2CCCC[NH2+]C2)CC1)[NH+]1CCCC1 ZINC000700314596 809295399 /nfs/dbraw/zinc/29/53/99/809295399.db2.gz XDFOYFDIBQUDRD-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP CN(CCCCCC[NH3+])CCC[NH+]1CCCCC1 ZINC000710833828 809995662 /nfs/dbraw/zinc/99/56/62/809995662.db2.gz MTJBLDMYCDEUFL-UHFFFAOYSA-N 2 3 255.450 2.313 20 0 CEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210147 813730322 /nfs/dbraw/zinc/73/03/22/813730322.db2.gz IIRJMTAGCFQLFE-CABCVRRESA-N 2 3 267.461 2.277 20 0 CEADHP CCC[C@@]1(CN[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246458272 813835825 /nfs/dbraw/zinc/83/58/25/813835825.db2.gz XWWRGPMVGSIWSO-JYJNAYRXSA-N 2 3 265.445 2.031 20 0 CEADHP C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246911189 814384610 /nfs/dbraw/zinc/38/46/10/814384610.db2.gz PDCZIWKKZMZNLY-ZQDZILKHSA-N 2 3 267.461 2.355 20 0 CEADHP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246911189 814384621 /nfs/dbraw/zinc/38/46/21/814384621.db2.gz PDCZIWKKZMZNLY-ZQDZILKHSA-N 2 3 267.461 2.355 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709312 283062794 /nfs/dbraw/zinc/06/27/94/283062794.db2.gz QBICPCLWFIJTCQ-JYJNAYRXSA-N 2 3 267.461 2.038 20 0 CEADHP CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709312 283062797 /nfs/dbraw/zinc/06/27/97/283062797.db2.gz QBICPCLWFIJTCQ-JYJNAYRXSA-N 2 3 267.461 2.038 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010394 369046634 /nfs/dbraw/zinc/04/66/34/369046634.db2.gz ZRCHGUUMYLILDZ-GDBMZVCRSA-N 2 3 263.429 2.054 20 0 CEADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713521 375936920 /nfs/dbraw/zinc/93/69/20/375936920.db2.gz WBFDJPJBALXQBW-BRWVUGGUSA-N 2 3 279.472 2.182 20 0 CEADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC[NH2+]1 ZINC000414713521 375936924 /nfs/dbraw/zinc/93/69/24/375936924.db2.gz WBFDJPJBALXQBW-BRWVUGGUSA-N 2 3 279.472 2.182 20 0 CEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000414971618 376014120 /nfs/dbraw/zinc/01/41/20/376014120.db2.gz WRCSGDGQWWLSTL-PMPSAXMXSA-N 2 3 267.461 2.419 20 0 CEADHP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])CN1CCCCC1 ZINC000310945161 376644481 /nfs/dbraw/zinc/64/44/81/376644481.db2.gz XPDQTXRKJUNWQP-CABCVRRESA-N 2 3 255.450 2.216 20 0 CEADHP C(CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC[NH+]1CCCC1 ZINC000423128751 377027900 /nfs/dbraw/zinc/02/79/00/377027900.db2.gz DIPQWRBTQHQSTE-XYPWUTKMSA-N 2 3 265.445 2.125 20 0 CEADHP NC[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719753 394739159 /nfs/dbraw/zinc/73/91/59/394739159.db2.gz RFKBNLJVFMAWLU-CVEARBPZSA-N 2 3 267.461 2.360 20 0 CEADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422778549 394777283 /nfs/dbraw/zinc/77/72/83/394777283.db2.gz DUMOARGJAYWPOZ-IAGOWNOFSA-N 2 3 275.440 2.498 20 0 CEADHP [NH3+]CCC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415056238 394867373 /nfs/dbraw/zinc/86/73/73/394867373.db2.gz PPVSVJQZNLCXHU-GDBMZVCRSA-N 2 3 261.413 2.056 20 0 CEADHP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000415056238 394867376 /nfs/dbraw/zinc/86/73/76/394867376.db2.gz PPVSVJQZNLCXHU-GDBMZVCRSA-N 2 3 261.413 2.056 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422886782 394850127 /nfs/dbraw/zinc/85/01/27/394850127.db2.gz XRGGTYDDGZZYGC-BRWVUGGUSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422886782 394850128 /nfs/dbraw/zinc/85/01/28/394850128.db2.gz XRGGTYDDGZZYGC-BRWVUGGUSA-N 2 3 281.488 2.476 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422886098 394850262 /nfs/dbraw/zinc/85/02/62/394850262.db2.gz WBRSWVBJJHROFQ-IAGOWNOFSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423420549 394917623 /nfs/dbraw/zinc/91/76/23/394917623.db2.gz BNOSIPFMHJJBHI-LVQVYYBASA-N 2 3 267.461 2.404 20 0 CEADHP C1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000423543987 394948915 /nfs/dbraw/zinc/94/89/15/394948915.db2.gz NRVAONHBTMERHF-BFYDXBDKSA-N 2 3 291.483 2.371 20 0 CEADHP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[C@H]([C@H]2CCCCN2)C1 ZINC000423551052 394949855 /nfs/dbraw/zinc/94/98/55/394949855.db2.gz OJFCTKJLKIXKDN-SOMFZHDCSA-N 2 3 291.483 2.275 20 0 CEADHP CC[NH+](CC)C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649413937 396148116 /nfs/dbraw/zinc/14/81/16/396148116.db2.gz UOEJSYQOCULYBT-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413937 396148119 /nfs/dbraw/zinc/14/81/19/396148119.db2.gz UOEJSYQOCULYBT-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413937 396148122 /nfs/dbraw/zinc/14/81/22/396148122.db2.gz UOEJSYQOCULYBT-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP [NH3+]CC[C@H]1CCCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662272275 415739232 /nfs/dbraw/zinc/73/92/32/415739232.db2.gz DEBODFFXUBAQLK-MRXNPFEDSA-N 2 3 273.424 2.036 20 0 CEADHP [NH3+]CCCN(CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359309771 295229502 /nfs/dbraw/zinc/22/95/02/295229502.db2.gz PVCZMSQREOQBAZ-UHFFFAOYSA-N 2 3 275.440 2.227 20 0 CEADHP C[C@H]([NH3+])[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724846 628626898 /nfs/dbraw/zinc/62/68/98/628626898.db2.gz DZAHCMOIWIMNOU-SDADXPQNSA-N 2 3 261.413 2.182 20 0 CEADHP C[NH+](C)C1(C)CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000904383931 635605861 /nfs/dbraw/zinc/60/58/61/635605861.db2.gz DEBLOFYRWFZFQD-PCKAHOCUSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211835 649591751 /nfs/dbraw/zinc/59/17/51/649591751.db2.gz FDHVCDMZHCTCMT-LLVKDONJSA-N 2 3 267.442 2.001 20 0 CEADHP C[C@@H]1C[C@H](C)[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923383055 810090018 /nfs/dbraw/zinc/09/00/18/810090018.db2.gz PLHIUARCMVWWRW-TTYBHXTHSA-N 2 3 279.472 2.212 20 0 CEADHP C[C@@H]1C[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CN ZINC000923383055 810090021 /nfs/dbraw/zinc/09/00/21/810090021.db2.gz PLHIUARCMVWWRW-TTYBHXTHSA-N 2 3 279.472 2.212 20 0 CEADHP CCCC[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208813 813730148 /nfs/dbraw/zinc/73/01/48/813730148.db2.gz FESITHOQWLHYQM-YHUYYLMFSA-N 2 3 267.461 2.404 20 0 CEADHP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571304 814094443 /nfs/dbraw/zinc/09/44/43/814094443.db2.gz BBSKBOMZZXHGOS-FXUDXRNXSA-N 2 3 265.445 2.110 20 0 CEADHP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246571304 814094446 /nfs/dbraw/zinc/09/44/46/814094446.db2.gz BBSKBOMZZXHGOS-FXUDXRNXSA-N 2 3 265.445 2.110 20 0 CEADHP C1CC2(C1)C[C@H](N1CCC[C@@]13CCC[NH2+]CC3)CC[NH2+]2 ZINC001246604868 814204297 /nfs/dbraw/zinc/20/42/97/814204297.db2.gz JBAKKUAGALZITH-NVXWUHKLSA-N 2 3 277.456 2.269 20 0 CEADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250605189 539966672 /nfs/dbraw/zinc/96/66/72/539966672.db2.gz LBHJPBGEGUDDBJ-LTIDMASMSA-N 2 3 279.472 2.229 20 0 CEADHP CCCN1CC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675765332 540872000 /nfs/dbraw/zinc/87/20/00/540872000.db2.gz CBDKYHIPVGVWMK-HUUCEWRRSA-N 2 3 267.461 2.038 20 0 CEADHP CCCN1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635009664 369045359 /nfs/dbraw/zinc/04/53/59/369045359.db2.gz JZTUKMDVSAUYBI-UHFFFAOYSA-N 2 3 287.451 2.296 20 0 CEADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734246 375943152 /nfs/dbraw/zinc/94/31/52/375943152.db2.gz DJFVULNLALUSRW-DJIMGWMZSA-N 2 3 279.472 2.038 20 0 CEADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CN(C)CC3CC3)C2)CC[NH2+]1 ZINC000414734246 375943157 /nfs/dbraw/zinc/94/31/57/375943157.db2.gz DJFVULNLALUSRW-DJIMGWMZSA-N 2 3 279.472 2.038 20 0 CEADHP CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422998071 376914931 /nfs/dbraw/zinc/91/49/31/376914931.db2.gz PKJVBBFCDSPCJH-HUUCEWRRSA-N 2 3 255.450 2.071 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000519424810 379419746 /nfs/dbraw/zinc/41/97/46/379419746.db2.gz AQXVZEPCHSOEQU-PMPSAXMXSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000519424810 379419753 /nfs/dbraw/zinc/41/97/53/379419753.db2.gz AQXVZEPCHSOEQU-PMPSAXMXSA-N 2 3 267.461 2.358 20 0 CEADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000333809903 380152748 /nfs/dbraw/zinc/15/27/48/380152748.db2.gz JBMYNJUBISFIOJ-LYYZXLFJSA-N 2 3 265.445 2.014 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422745154 394755554 /nfs/dbraw/zinc/75/55/54/394755554.db2.gz UPWLZBLRQVPGNE-SJORKVTESA-N 2 3 275.440 2.355 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422745154 394755555 /nfs/dbraw/zinc/75/55/55/394755555.db2.gz UPWLZBLRQVPGNE-SJORKVTESA-N 2 3 275.440 2.355 20 0 CEADHP C[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000423026847 394884711 /nfs/dbraw/zinc/88/47/11/394884711.db2.gz CHLWYGLFPOENQJ-QQFBHYJXSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422886784 394850298 /nfs/dbraw/zinc/85/02/98/394850298.db2.gz XRGGTYDDGZZYGC-IXDOHACOSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422886784 394850301 /nfs/dbraw/zinc/85/03/01/394850301.db2.gz XRGGTYDDGZZYGC-IXDOHACOSA-N 2 3 281.488 2.476 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000422888059 394851437 /nfs/dbraw/zinc/85/14/37/394851437.db2.gz ZYMOYJXCOXNJPJ-OAGGEKHMSA-N 2 3 269.477 2.462 20 0 CEADHP C(CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475365 394986126 /nfs/dbraw/zinc/98/61/26/394986126.db2.gz ACKIILFVZXKLJL-SJORKVTESA-N 2 3 279.472 2.469 20 0 CEADHP C(CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475365 394986131 /nfs/dbraw/zinc/98/61/31/394986131.db2.gz ACKIILFVZXKLJL-SJORKVTESA-N 2 3 279.472 2.469 20 0 CEADHP C(CC[NH2+][C@@H]1CCN2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475365 394986132 /nfs/dbraw/zinc/98/61/32/394986132.db2.gz ACKIILFVZXKLJL-SJORKVTESA-N 2 3 279.472 2.469 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786401 395754281 /nfs/dbraw/zinc/75/42/81/395754281.db2.gz OIXOGQOJPNBTLV-YYIAUSFCSA-N 2 3 279.472 2.085 20 0 CEADHP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000650719284 401010352 /nfs/dbraw/zinc/01/03/52/401010352.db2.gz KLHXWDUSHCSFGI-UHFFFAOYSA-N 2 3 287.451 2.370 20 0 CEADHP C[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000652356081 401492715 /nfs/dbraw/zinc/49/27/15/401492715.db2.gz RRPWOXZCLAUEQC-KBXCAEBGSA-N 2 3 287.451 2.282 20 0 CEADHP C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815226 415093824 /nfs/dbraw/zinc/09/38/24/415093824.db2.gz NFJAVBJFICVCLD-ZWKOTPCHSA-N 2 3 291.483 2.325 20 0 CEADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN(CC2CC2)C1 ZINC000665300017 415688993 /nfs/dbraw/zinc/68/89/93/415688993.db2.gz WMJWLVXEIXNPDO-XMTFNYHQSA-N 2 3 291.483 2.086 20 0 CEADHP C[C@@H]1C[C@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000662284072 415750956 /nfs/dbraw/zinc/75/09/56/415750956.db2.gz SQXARBCYNUNDOF-JKIFEVAISA-N 2 3 287.451 2.138 20 0 CEADHP C[C@@H]1CC2(C[N@@H+]1Cc1cccc3c1CCNC3)CC[NH2+]CC2 ZINC000662283455 415753935 /nfs/dbraw/zinc/75/39/35/415753935.db2.gz OLAXDZTWRFQADO-OAHLLOKOSA-N 2 3 299.462 2.296 20 0 CEADHP C[C@@H]1CC2(C[N@H+]1Cc1cccc3c1CCNC3)CC[NH2+]CC2 ZINC000662283455 415753938 /nfs/dbraw/zinc/75/39/38/415753938.db2.gz OLAXDZTWRFQADO-OAHLLOKOSA-N 2 3 299.462 2.296 20 0 CEADHP C[C@H]1C[C@H](C[N@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774331 263043265 /nfs/dbraw/zinc/04/32/65/263043265.db2.gz BFPHVOXGSLYUBF-GOEBONIOSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H]1C[C@H](C[N@@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774331 263043266 /nfs/dbraw/zinc/04/32/66/263043266.db2.gz BFPHVOXGSLYUBF-GOEBONIOSA-N 2 3 267.461 2.216 20 0 CEADHP C1=C(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925710657 628558558 /nfs/dbraw/zinc/55/85/58/628558558.db2.gz XTYBTBSRNBYHTL-IRXDYDNUSA-N 2 3 277.456 2.054 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000925715593 628575944 /nfs/dbraw/zinc/57/59/44/628575944.db2.gz FFGBGNNWUQAOLI-HYLCPLCXSA-N 2 3 291.483 2.214 20 0 CEADHP [NH3+]CCCCCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873213561 632401501 /nfs/dbraw/zinc/40/15/01/632401501.db2.gz HQIFDGDDNNFJLE-UHFFFAOYSA-N 2 3 267.442 2.003 20 0 CEADHP [NH3+]Cc1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903932803 635358360 /nfs/dbraw/zinc/35/83/60/635358360.db2.gz WAMCLYQCDYMMDR-UHFFFAOYSA-N 2 3 281.403 2.081 20 0 CEADHP CC[N@H+](CCCNC1CC(C[NH3+])C1)C1CCCCC1 ZINC000904376888 635601806 /nfs/dbraw/zinc/60/18/06/635601806.db2.gz YHFZKXGKCIMDRV-UHFFFAOYSA-N 2 3 267.461 2.358 20 0 CEADHP CC[N@@H+](CCCNC1CC(C[NH3+])C1)C1CCCCC1 ZINC000904376888 635601811 /nfs/dbraw/zinc/60/18/11/635601811.db2.gz YHFZKXGKCIMDRV-UHFFFAOYSA-N 2 3 267.461 2.358 20 0 CEADHP C[NH+](C)C1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873213640 649592632 /nfs/dbraw/zinc/59/26/32/649592632.db2.gz JYYVLYHDHAHRPB-UHFFFAOYSA-N 2 3 293.480 2.356 20 0 CEADHP C(C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)[NH+]1CCCC1 ZINC000700314597 809294786 /nfs/dbraw/zinc/29/47/86/809294786.db2.gz XDFOYFDIBQUDRD-QGZVFWFLSA-N 2 3 279.472 2.184 20 0 CEADHP CC[C@@]1(CN[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC001246455147 813829728 /nfs/dbraw/zinc/82/97/28/813829728.db2.gz HHRQPIHQVKZXSL-OAGGEKHMSA-N 2 3 265.445 2.031 20 0 CEADHP C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246911079 814384438 /nfs/dbraw/zinc/38/44/38/814384438.db2.gz PDCZIWKKZMZNLY-TUVASFSCSA-N 2 3 267.461 2.355 20 0 CEADHP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246911079 814384447 /nfs/dbraw/zinc/38/44/47/814384447.db2.gz PDCZIWKKZMZNLY-TUVASFSCSA-N 2 3 267.461 2.355 20 0 CEADHP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001206317766 816690500 /nfs/dbraw/zinc/69/05/00/816690500.db2.gz IGIUMNXHHMWHDT-MRXNPFEDSA-N 2 3 293.480 2.345 20 0 CEADHP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001206317766 816690504 /nfs/dbraw/zinc/69/05/04/816690504.db2.gz IGIUMNXHHMWHDT-MRXNPFEDSA-N 2 3 293.480 2.345 20 0 CEADHP CC[NH+](CC)CCOCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000349664538 369364981 /nfs/dbraw/zinc/36/49/81/369364981.db2.gz MJIAALZCJGTUIE-UHFFFAOYSA-N 2 3 299.503 2.197 20 0 CEADHP CC[NH+](CC)CC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414735726 375943948 /nfs/dbraw/zinc/94/39/48/375943948.db2.gz MHQDIVXYDIIQRP-INIZCTEOSA-N 2 3 269.477 2.414 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284965 377213381 /nfs/dbraw/zinc/21/33/81/377213381.db2.gz ZBFJQXDKPKZKBR-DAXOMENPSA-N 2 3 259.397 2.111 20 0 CEADHP C[N@H+](CCCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894278 /nfs/dbraw/zinc/89/42/78/378894278.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894285 /nfs/dbraw/zinc/89/42/85/378894285.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894293 /nfs/dbraw/zinc/89/42/93/378894293.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894297 /nfs/dbraw/zinc/89/42/97/378894297.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@H+](CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894303 /nfs/dbraw/zinc/89/43/03/378894303.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894307 /nfs/dbraw/zinc/89/43/07/378894307.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2CNC2)CC1 ZINC000423338455 394891428 /nfs/dbraw/zinc/89/14/28/394891428.db2.gz ZFIDQQYWCKGXSD-UHFFFAOYSA-N 2 3 287.451 2.239 20 0 CEADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CNC2)CC1 ZINC000423338455 394891431 /nfs/dbraw/zinc/89/14/31/394891431.db2.gz ZFIDQQYWCKGXSD-UHFFFAOYSA-N 2 3 287.451 2.239 20 0 CEADHP C1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)C1 ZINC000423543988 394948633 /nfs/dbraw/zinc/94/86/33/394948633.db2.gz NRVAONHBTMERHF-HLLBOEOZSA-N 2 3 291.483 2.371 20 0 CEADHP CC(C)CC[NH+]1CCC(CN[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647550556 395733803 /nfs/dbraw/zinc/73/38/03/395733803.db2.gz XWFAASGOCOPCCZ-NVXWUHKLSA-N 2 3 281.488 2.332 20 0 CEADHP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904112 395770915 /nfs/dbraw/zinc/77/09/15/395770915.db2.gz WYIBANSHLOEGOO-SJORKVTESA-N 2 3 279.472 2.230 20 0 CEADHP C(CC1CCN(C[C@H]2CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000647989541 395796742 /nfs/dbraw/zinc/79/67/42/395796742.db2.gz BECOPXQAXKGAGL-KRWDZBQOSA-N 2 3 279.472 2.184 20 0 CEADHP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000650748324 401024338 /nfs/dbraw/zinc/02/43/38/401024338.db2.gz RSSZMEYHNPZSQD-RBSFLKMASA-N 2 3 265.445 2.016 20 0 CEADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300100 415687497 /nfs/dbraw/zinc/68/74/97/415687497.db2.gz YJOGACGHXRLQKU-RHSMWYFYSA-N 2 3 279.472 2.086 20 0 CEADHP C[N@H+](Cc1ccccc1)C1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000423424623 281037082 /nfs/dbraw/zinc/03/70/82/281037082.db2.gz FZZRBUGQAKEBJR-GGFCQSDPSA-N 2 3 299.462 2.237 20 0 CEADHP C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000423424623 281037086 /nfs/dbraw/zinc/03/70/86/281037086.db2.gz FZZRBUGQAKEBJR-GGFCQSDPSA-N 2 3 299.462 2.237 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000817880374 633750349 /nfs/dbraw/zinc/75/03/49/633750349.db2.gz QRHQRXXQXVPXIG-RBSFLKMASA-N 2 3 255.450 2.201 20 0 CEADHP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000817880374 633750356 /nfs/dbraw/zinc/75/03/56/633750356.db2.gz QRHQRXXQXVPXIG-RBSFLKMASA-N 2 3 255.450 2.201 20 0 CEADHP CC1CC[NH+](C[C@H]2CCCN(C[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000904314498 635561959 /nfs/dbraw/zinc/56/19/59/635561959.db2.gz ZNFIYOHTWNXCHQ-ZACQAIPSSA-N 2 3 279.472 2.168 20 0 CEADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416599 635621121 /nfs/dbraw/zinc/62/11/21/635621121.db2.gz PUWVFIRJUJYWMW-RDJZCZTQSA-N 2 3 281.488 2.319 20 0 CEADHP CCN(C)C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327756 643660147 /nfs/dbraw/zinc/66/01/47/643660147.db2.gz VGLULPKFEJNBSV-IFFAKLHKSA-N 2 3 279.472 2.181 20 0 CEADHP CCN(C)C[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327756 643660151 /nfs/dbraw/zinc/66/01/51/643660151.db2.gz VGLULPKFEJNBSV-IFFAKLHKSA-N 2 3 279.472 2.181 20 0 CEADHP NCC1(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232227 649603408 /nfs/dbraw/zinc/60/34/08/649603408.db2.gz NMJIBLSIDHKWPX-GDBMZVCRSA-N 2 3 279.472 2.345 20 0 CEADHP NCC1(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232227 649603410 /nfs/dbraw/zinc/60/34/10/649603410.db2.gz NMJIBLSIDHKWPX-GDBMZVCRSA-N 2 3 279.472 2.345 20 0 CEADHP CC(C)N1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732256 368845236 /nfs/dbraw/zinc/84/52/36/368845236.db2.gz BRFYGLCSHRLIJR-HNNXBMFYSA-N 2 3 267.461 2.227 20 0 CEADHP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC[NH2+]CC1 ZINC000423325331 377257035 /nfs/dbraw/zinc/25/70/35/377257035.db2.gz JLORKRZPYVDFAY-ARFHVFGLSA-N 2 3 279.472 2.277 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422786988 394785138 /nfs/dbraw/zinc/78/51/38/394785138.db2.gz POVXXJFKCQEMCP-HZPDHXFCSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369357 394905006 /nfs/dbraw/zinc/90/50/06/394905006.db2.gz OMAICTGADINJQA-AXAPSJFSSA-N 2 3 297.393 2.127 20 0 CEADHP NC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324121 395327776 /nfs/dbraw/zinc/32/77/76/395327776.db2.gz ZENLJKJYJMUSRY-NXHRZFHOSA-N 2 3 287.451 2.050 20 0 CEADHP NC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324121 395327779 /nfs/dbraw/zinc/32/77/79/395327779.db2.gz ZENLJKJYJMUSRY-NXHRZFHOSA-N 2 3 287.451 2.050 20 0 CEADHP [NH3+]C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324121 395327781 /nfs/dbraw/zinc/32/77/81/395327781.db2.gz ZENLJKJYJMUSRY-NXHRZFHOSA-N 2 3 287.451 2.050 20 0 CEADHP C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C[NH+]1CCCCC1 ZINC000420335396 395333274 /nfs/dbraw/zinc/33/32/74/395333274.db2.gz UVCUQDWHSSWFMN-DLBZAZTESA-N 2 3 279.472 2.184 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650764375 401038167 /nfs/dbraw/zinc/03/81/67/401038167.db2.gz XABVADNIDFDGFU-UHFFFAOYSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@@H](NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000665299427 415687033 /nfs/dbraw/zinc/68/70/33/415687033.db2.gz MSQLUPGXVJSYBF-RHSMWYFYSA-N 2 3 279.472 2.229 20 0 CEADHP C[C@@H]1C[C@@H](C[N@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774336 263043281 /nfs/dbraw/zinc/04/32/81/263043281.db2.gz BFPHVOXGSLYUBF-ZBFHGGJFSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1C[C@@H](C[N@@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774336 263043282 /nfs/dbraw/zinc/04/32/82/263043282.db2.gz BFPHVOXGSLYUBF-ZBFHGGJFSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H]1C[C@@H](C[N@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774334 263043349 /nfs/dbraw/zinc/04/33/49/263043349.db2.gz BFPHVOXGSLYUBF-HOCLYGCPSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H]1C[C@@H](C[N@@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774334 263043350 /nfs/dbraw/zinc/04/33/50/263043350.db2.gz BFPHVOXGSLYUBF-HOCLYGCPSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423469056 281050772 /nfs/dbraw/zinc/05/07/72/281050772.db2.gz YJVNCUFRQCFUMB-KBUPBQIOSA-N 2 3 253.434 2.014 20 0 CEADHP C(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C[C@@H]1CCC[NH2+]1 ZINC000925707532 628554764 /nfs/dbraw/zinc/55/47/64/628554764.db2.gz LBBSJTHBRNWASE-ULQDDVLXSA-N 2 3 279.472 2.277 20 0 CEADHP C[C@@H]([NH3+])[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724848 628626842 /nfs/dbraw/zinc/62/68/42/628626842.db2.gz DZAHCMOIWIMNOU-XOUADPBQSA-N 2 3 261.413 2.182 20 0 CEADHP CC(C)(C[NH3+])C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903791322 635263269 /nfs/dbraw/zinc/26/32/69/635263269.db2.gz SQCFOOBMVBEJOB-CQSZACIVSA-N 2 3 267.461 2.073 20 0 CEADHP [NH3+]Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000904359052 635587640 /nfs/dbraw/zinc/58/76/40/635587640.db2.gz WXPNHLVPSFSMHE-IAGOWNOFSA-N 2 3 273.424 2.109 20 0 CEADHP C[C@@H]1C[N@H+](C[C@@H](N)CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410574 635617163 /nfs/dbraw/zinc/61/71/63/635617163.db2.gz OWHBAOAYDIRVPN-MCIONIFRSA-N 2 3 255.450 2.057 20 0 CEADHP C[C@@H]1C[N@@H+](C[C@@H](N)CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410574 635617166 /nfs/dbraw/zinc/61/71/66/635617166.db2.gz OWHBAOAYDIRVPN-MCIONIFRSA-N 2 3 255.450 2.057 20 0 CEADHP CC(C)(C[NH3+])C1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904445398 635638771 /nfs/dbraw/zinc/63/87/71/635638771.db2.gz RPBBWDDWCNNNDH-MRXNPFEDSA-N 2 3 267.461 2.073 20 0 CEADHP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc2c1CC[NH2+]C2 ZINC000852745931 643532492 /nfs/dbraw/zinc/53/24/92/643532492.db2.gz AZJDNYLZOGIZRF-ALOPSCKCSA-N 2 3 285.435 2.177 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000335025124 803991611 /nfs/dbraw/zinc/99/16/11/803991611.db2.gz DZQDZEHMWDPJSV-FLOBVVSRSA-N 2 3 291.483 2.499 20 0 CEADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001167826098 804385767 /nfs/dbraw/zinc/38/57/67/804385767.db2.gz WIVUXDGYDWNPPE-ZACQAIPSSA-N 2 3 281.488 2.380 20 0 CEADHP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001167826098 804385773 /nfs/dbraw/zinc/38/57/73/804385773.db2.gz WIVUXDGYDWNPPE-ZACQAIPSSA-N 2 3 281.488 2.380 20 0 CEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246227419 813740479 /nfs/dbraw/zinc/74/04/79/813740479.db2.gz CTYJJTXRXUCXQQ-XHSDSOJGSA-N 2 3 267.461 2.277 20 0 CEADHP C[NH+](C)CC1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090668802 344142565 /nfs/dbraw/zinc/14/25/65/344142565.db2.gz PSMOFSUOTHEJOM-BHUNQDJPSA-N 2 3 279.472 2.323 20 0 CEADHP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000093491332 364192444 /nfs/dbraw/zinc/19/24/44/364192444.db2.gz WCVHKUSEGUIVJN-HRCADAONSA-N 2 3 267.461 2.229 20 0 CEADHP CC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH2+]CC1 ZINC000335568839 364805461 /nfs/dbraw/zinc/80/54/61/364805461.db2.gz MKGHRZUSGJVBRD-CABCVRRESA-N 2 3 259.397 2.111 20 0 CEADHP CN(C)CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000584004321 367129457 /nfs/dbraw/zinc/12/94/57/367129457.db2.gz HQCBARFNIIJOCW-RDBSUJKOSA-N 2 3 255.450 2.212 20 0 CEADHP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C1CNC1 ZINC000422960043 376884149 /nfs/dbraw/zinc/88/41/49/376884149.db2.gz ALLBTNSQXQKZCE-ODIFPOPNSA-N 2 3 279.472 2.227 20 0 CEADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422806703 394799723 /nfs/dbraw/zinc/79/97/23/394799723.db2.gz LBFVLMSOTDTMMD-GJZGRUSLSA-N 2 3 275.440 2.498 20 0 CEADHP C1=C(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC[NH2+]C1 ZINC000423534680 394946890 /nfs/dbraw/zinc/94/68/90/394946890.db2.gz AQJBVIZAFVHOPL-BRWVUGGUSA-N 2 3 277.456 2.197 20 0 CEADHP CC1CC[NH+](C[C@@H]2CCCN(CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327037 395329373 /nfs/dbraw/zinc/32/93/73/395329373.db2.gz YHAFHOJDPLPRGU-QZTJIDSGSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327037 395329378 /nfs/dbraw/zinc/32/93/78/395329378.db2.gz YHAFHOJDPLPRGU-QZTJIDSGSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327037 395329380 /nfs/dbraw/zinc/32/93/80/395329380.db2.gz YHAFHOJDPLPRGU-QZTJIDSGSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CC[NH+](C[C@H]2CCCN(CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327033 395329620 /nfs/dbraw/zinc/32/96/20/395329620.db2.gz YHAFHOJDPLPRGU-MSOLQXFVSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327033 395329625 /nfs/dbraw/zinc/32/96/25/395329625.db2.gz YHAFHOJDPLPRGU-MSOLQXFVSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327033 395329629 /nfs/dbraw/zinc/32/96/29/395329629.db2.gz YHAFHOJDPLPRGU-MSOLQXFVSA-N 2 3 293.499 2.430 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000650761973 401036490 /nfs/dbraw/zinc/03/64/90/401036490.db2.gz OUFOAEYYHLOURW-GVDBMIGSSA-N 2 3 279.472 2.277 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000656200841 415636070 /nfs/dbraw/zinc/63/60/70/415636070.db2.gz RQRFRHMTRFQXAP-NOXHYTERSA-N 2 3 259.397 2.061 20 0 CEADHP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]([C@H]2CCCCN2)C1 ZINC000423551049 270924787 /nfs/dbraw/zinc/92/47/87/270924787.db2.gz OJFCTKJLKIXKDN-HTPGKPQGSA-N 2 3 291.483 2.275 20 0 CEADHP C[NH+](C)CC1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424303867 281145093 /nfs/dbraw/zinc/14/50/93/281145093.db2.gz PMEDSIMRZFICIB-INIZCTEOSA-N 2 3 293.430 2.142 20 0 CEADHP C[C@@H]1C[C@H](C[N@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732927 297395612 /nfs/dbraw/zinc/39/56/12/297395612.db2.gz JAUWKTCWZHZBSJ-NVXWUHKLSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H]1C[C@H](C[N@@H+](CCCN)Cc2ccccc2)CC[NH2+]1 ZINC000414732927 297395614 /nfs/dbraw/zinc/39/56/14/297395614.db2.gz JAUWKTCWZHZBSJ-NVXWUHKLSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H]1C[C@H](CN(CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732927 297395616 /nfs/dbraw/zinc/39/56/16/297395616.db2.gz JAUWKTCWZHZBSJ-NVXWUHKLSA-N 2 3 275.440 2.226 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])[C@@H]1CCN ZINC000846226542 623363490 /nfs/dbraw/zinc/36/34/90/623363490.db2.gz OUPLXKOWSJLJQY-HUUCEWRRSA-N 2 3 255.450 2.345 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CCN ZINC000846226542 623363495 /nfs/dbraw/zinc/36/34/95/623363495.db2.gz OUPLXKOWSJLJQY-HUUCEWRRSA-N 2 3 255.450 2.345 20 0 CEADHP C[NH+](C)C1CCC([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925704060 628547457 /nfs/dbraw/zinc/54/74/57/628547457.db2.gz FZOADRISFOTPPQ-NCOXYXGASA-N 2 3 279.472 2.225 20 0 CEADHP C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727251 628645423 /nfs/dbraw/zinc/64/54/23/628645423.db2.gz OCVPXKGLUQWHQU-DEORAPPZSA-N 2 3 291.483 2.275 20 0 CEADHP NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882774 628981678 /nfs/dbraw/zinc/98/16/78/628981678.db2.gz UGTBBPGGBLNGNW-DDBAPUKQSA-N 2 3 287.451 2.153 20 0 CEADHP CCN(C)C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327757 643659859 /nfs/dbraw/zinc/65/98/59/643659859.db2.gz VGLULPKFEJNBSV-YNBOMUFVSA-N 2 3 279.472 2.181 20 0 CEADHP CCN(C)C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327757 643659862 /nfs/dbraw/zinc/65/98/62/643659862.db2.gz VGLULPKFEJNBSV-YNBOMUFVSA-N 2 3 279.472 2.181 20 0 CEADHP CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715216681 807743938 /nfs/dbraw/zinc/74/39/38/807743938.db2.gz CKCHRSMTBTYSEB-KNIAUWFNSA-N 2 3 267.461 2.322 20 0 CEADHP CCCC[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)CCN1 ZINC001246254172 813753495 /nfs/dbraw/zinc/75/34/95/813753495.db2.gz XPUNUODMVCNUOX-BMFZPTHFSA-N 2 3 267.461 2.275 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704660 375931466 /nfs/dbraw/zinc/93/14/66/375931466.db2.gz KROYRHBQFZGVSL-XHSDSOJGSA-N 2 3 267.461 2.038 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704660 375931469 /nfs/dbraw/zinc/93/14/69/375931469.db2.gz KROYRHBQFZGVSL-XHSDSOJGSA-N 2 3 267.461 2.038 20 0 CEADHP NC[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719755 394739209 /nfs/dbraw/zinc/73/92/09/394739209.db2.gz RFKBNLJVFMAWLU-HZPDHXFCSA-N 2 3 267.461 2.360 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422734341 394747037 /nfs/dbraw/zinc/74/70/37/394747037.db2.gz CMSVRYHBBWWCGF-HOCLYGCPSA-N 2 3 267.461 2.086 20 0 CEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422867246 394838569 /nfs/dbraw/zinc/83/85/69/394838569.db2.gz RUUYUXWKFGVWOU-XOKHGSTOSA-N 2 3 291.439 2.078 20 0 CEADHP CC1CC[NH+](C[C@@H]2CCCN(CC3CC[NH2+]CC3)C2)CC1 ZINC000178979500 395176933 /nfs/dbraw/zinc/17/69/33/395176933.db2.gz ZOYXZCBDOOTDOK-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC000178979500 395176937 /nfs/dbraw/zinc/17/69/37/395176937.db2.gz ZOYXZCBDOOTDOK-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC000178979500 395176941 /nfs/dbraw/zinc/17/69/41/395176941.db2.gz ZOYXZCBDOOTDOK-SFHVURJKSA-N 2 3 293.499 2.430 20 0 CEADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000334388939 289066376 /nfs/dbraw/zinc/06/63/76/289066376.db2.gz REIFWVNAVCFDGT-KNIAUWFNSA-N 2 3 265.445 2.076 20 0 CEADHP C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887484 395501294 /nfs/dbraw/zinc/50/12/94/395501294.db2.gz ULOPPJUYSOHRGA-DOTOQJQBSA-N 2 3 277.456 2.077 20 0 CEADHP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000650748325 401024598 /nfs/dbraw/zinc/02/45/98/401024598.db2.gz RSSZMEYHNPZSQD-RRFJBIMHSA-N 2 3 265.445 2.016 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000656200844 415636967 /nfs/dbraw/zinc/63/69/67/415636967.db2.gz RQRFRHMTRFQXAP-VZAMPYOESA-N 2 3 259.397 2.061 20 0 CEADHP C[NH2+]CCC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662263725 415729536 /nfs/dbraw/zinc/72/95/36/415729536.db2.gz DLOIREWCWRAZJR-UHFFFAOYSA-N 2 3 287.451 2.154 20 0 CEADHP C[C@@H]1C[C@H](C[N@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774327 263043329 /nfs/dbraw/zinc/04/33/29/263043329.db2.gz BFPHVOXGSLYUBF-GDBMZVCRSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1C[C@H](C[N@@H+](CCCN)CC2CCCC2)CC[NH2+]1 ZINC000414774327 263043330 /nfs/dbraw/zinc/04/33/30/263043330.db2.gz BFPHVOXGSLYUBF-GDBMZVCRSA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC1=CC[NH2+]CC1 ZINC000423540509 281065932 /nfs/dbraw/zinc/06/59/32/281065932.db2.gz QODBMNOUZFQGMX-GOEBONIOSA-N 2 3 265.445 2.197 20 0 CEADHP [NH3+]CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000577626458 314397847 /nfs/dbraw/zinc/39/78/47/314397847.db2.gz GSWFWBUNLURHGF-OAGGEKHMSA-N 2 3 261.413 2.326 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000925715594 628576085 /nfs/dbraw/zinc/57/60/85/628576085.db2.gz FFGBGNNWUQAOLI-ZGOKBZQCSA-N 2 3 291.483 2.214 20 0 CEADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000841033476 631826593 /nfs/dbraw/zinc/82/65/93/631826593.db2.gz OUAAJVNRCOMHGH-KZNAEPCWSA-N 2 3 287.451 2.198 20 0 CEADHP C[N@@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000817948842 633795303 /nfs/dbraw/zinc/79/53/03/633795303.db2.gz LWECJWNWEYUZHV-FGTMMUONSA-N 2 3 287.451 2.150 20 0 CEADHP C[N@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000817948842 633795306 /nfs/dbraw/zinc/79/53/06/633795306.db2.gz LWECJWNWEYUZHV-FGTMMUONSA-N 2 3 287.451 2.150 20 0 CEADHP C[C@@H]1C[N@H+](C[C@H](N)CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410575 635616734 /nfs/dbraw/zinc/61/67/34/635616734.db2.gz OWHBAOAYDIRVPN-MGPQQGTHSA-N 2 3 255.450 2.057 20 0 CEADHP C[C@@H]1C[N@@H+](C[C@H](N)CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410575 635616739 /nfs/dbraw/zinc/61/67/39/635616739.db2.gz OWHBAOAYDIRVPN-MGPQQGTHSA-N 2 3 255.450 2.057 20 0 CEADHP C[C@]1(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)CCC[NH2+]C1 ZINC000904416722 635621238 /nfs/dbraw/zinc/62/12/38/635621238.db2.gz QKABLFDUJVRQSY-AEFFLSMTSA-N 2 3 293.499 2.478 20 0 CEADHP C[C@@]1(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000904416928 635621651 /nfs/dbraw/zinc/62/16/51/635621651.db2.gz UIOQIQGQZWMYDO-NVXWUHKLSA-N 2 3 279.472 2.088 20 0 CEADHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000715544898 814974858 /nfs/dbraw/zinc/97/48/58/814974858.db2.gz UZIZBXRNJJCGCW-JWMHWRSXSA-N 2 3 267.461 2.356 20 0 CEADHP [NH3+]Cc1ccc(CN2CCCCC23CC[NH2+]CC3)cc1 ZINC001235188989 807795234 /nfs/dbraw/zinc/79/52/34/807795234.db2.gz DLABFZWPHGQRHW-UHFFFAOYSA-N 2 3 273.424 2.253 20 0 CEADHP [NH3+]Cc1ccc(C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235188989 807795240 /nfs/dbraw/zinc/79/52/40/807795240.db2.gz DLABFZWPHGQRHW-UHFFFAOYSA-N 2 3 273.424 2.253 20 0 CEADHP [NH3+]Cc1ccc(C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235188989 807795244 /nfs/dbraw/zinc/79/52/44/807795244.db2.gz DLABFZWPHGQRHW-UHFFFAOYSA-N 2 3 273.424 2.253 20 0 CEADHP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246501517 813874129 /nfs/dbraw/zinc/87/41/29/813874129.db2.gz AORQMYGXFKACPG-KLHDSHLOSA-N 2 3 267.461 2.370 20 0 CEADHP C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC[NH+](C)CC1 ZINC000624120793 350198957 /nfs/dbraw/zinc/19/89/57/350198957.db2.gz HAQQFSZGBQSAMV-GJZGRUSLSA-N 2 3 267.461 2.038 20 0 CEADHP N[C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000583641264 367077095 /nfs/dbraw/zinc/07/70/95/367077095.db2.gz KKUJWQQBVXNBRD-LSDHHAIUSA-N 2 3 253.434 2.112 20 0 CEADHP CCN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733403 368844826 /nfs/dbraw/zinc/84/48/26/368844826.db2.gz DYYHGDRVSCTUFT-KKUMJFAQSA-N 2 3 267.461 2.085 20 0 CEADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000635006585 369043044 /nfs/dbraw/zinc/04/30/44/369043044.db2.gz SGWBWKXBBAHRGN-QUSNUVHPSA-N 2 3 279.472 2.404 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000519424808 379419085 /nfs/dbraw/zinc/41/90/85/379419085.db2.gz AQXVZEPCHSOEQU-OAGGEKHMSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000519424808 379419092 /nfs/dbraw/zinc/41/90/92/379419092.db2.gz AQXVZEPCHSOEQU-OAGGEKHMSA-N 2 3 267.461 2.358 20 0 CEADHP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000250810592 394565017 /nfs/dbraw/zinc/56/50/17/394565017.db2.gz DHKJSFHQMAHCIO-DZJNRPSUSA-N 2 3 291.483 2.371 20 0 CEADHP CCC[NH+]1CCC(CN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422735270 394747252 /nfs/dbraw/zinc/74/72/52/394747252.db2.gz DUJQFFDGZNQQJT-GDBMZVCRSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@@H]1CCCCN1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422754728 394760886 /nfs/dbraw/zinc/76/08/86/394760886.db2.gz ASEBQNUBBCGECB-QQFBHYJXSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000423028103 394884620 /nfs/dbraw/zinc/88/46/20/394884620.db2.gz FWNGSIGJSZWDMW-HUUCEWRRSA-N 2 3 255.450 2.358 20 0 CEADHP [NH3+]Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000647553365 395734221 /nfs/dbraw/zinc/73/42/21/395734221.db2.gz WWYGUIRUFJHAIG-UHFFFAOYSA-N 2 3 273.424 2.109 20 0 CEADHP CCC[N@H+](C)C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414407 396147969 /nfs/dbraw/zinc/14/79/69/396147969.db2.gz YGUBVGLNVLCFTH-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCC[N@@H+](C)C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649414407 396147971 /nfs/dbraw/zinc/14/79/71/396147971.db2.gz YGUBVGLNVLCFTH-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCCN(C)C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414407 396147973 /nfs/dbraw/zinc/14/79/73/396147973.db2.gz YGUBVGLNVLCFTH-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP CCCN(C)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414407 396147975 /nfs/dbraw/zinc/14/79/75/396147975.db2.gz YGUBVGLNVLCFTH-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000650756106 401032656 /nfs/dbraw/zinc/03/26/56/401032656.db2.gz USHOIGFZQWKLNM-HOTGVXAUSA-N 2 3 261.413 2.156 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000414971615 298892883 /nfs/dbraw/zinc/89/28/83/298892883.db2.gz WRCSGDGQWWLSTL-BZUAXINKSA-N 2 3 267.461 2.419 20 0 CEADHP CC[C@@H](NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665300164 415688219 /nfs/dbraw/zinc/68/82/19/415688219.db2.gz ZKOLCHPMMNENFJ-SJORKVTESA-N 2 3 279.472 2.229 20 0 CEADHP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1 ZINC000665300164 415688224 /nfs/dbraw/zinc/68/82/24/415688224.db2.gz ZKOLCHPMMNENFJ-SJORKVTESA-N 2 3 279.472 2.229 20 0 CEADHP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253843 415651873 /nfs/dbraw/zinc/65/18/73/415651873.db2.gz AXLREDYZULFZKN-KBRIMQKVSA-N 2 3 293.430 2.378 20 0 CEADHP CC[NH+](CC)CCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323594 270517531 /nfs/dbraw/zinc/51/75/31/270517531.db2.gz GFQZCFPQGSHUMM-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323594 270517532 /nfs/dbraw/zinc/51/75/32/270517532.db2.gz GFQZCFPQGSHUMM-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323594 270517534 /nfs/dbraw/zinc/51/75/34/270517534.db2.gz GFQZCFPQGSHUMM-HOTGVXAUSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[NH+]1CCC(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422735273 270744991 /nfs/dbraw/zinc/74/49/91/270744991.db2.gz DUJQFFDGZNQQJT-ZBFHGGJFSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422806704 270777750 /nfs/dbraw/zinc/77/77/50/270777750.db2.gz LBFVLMSOTDTMMD-HUUCEWRRSA-N 2 3 275.440 2.498 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414909446 278341091 /nfs/dbraw/zinc/34/10/91/278341091.db2.gz RWEIWPAKTCVPCK-UHFFFAOYSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@H](NCCCCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000423135317 281018393 /nfs/dbraw/zinc/01/83/93/281018393.db2.gz NNESEYVLSKMNGR-JKSUJKDBSA-N 2 3 267.461 2.373 20 0 CEADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685992 628492213 /nfs/dbraw/zinc/49/22/13/628492213.db2.gz PBDBLNWMZVVDHM-WCVJEAGWSA-N 2 3 279.472 2.085 20 0 CEADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685992 628492216 /nfs/dbraw/zinc/49/22/16/628492216.db2.gz PBDBLNWMZVVDHM-WCVJEAGWSA-N 2 3 279.472 2.085 20 0 CEADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882776 628981937 /nfs/dbraw/zinc/98/19/37/628981937.db2.gz UGTBBPGGBLNGNW-LEUOFYLZSA-N 2 3 287.451 2.153 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458852 635644939 /nfs/dbraw/zinc/64/49/39/635644939.db2.gz HNBRJBCEYQJBSD-KRWDZBQOSA-N 2 3 289.467 2.352 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])[C@H]1CCN ZINC000846226540 641234261 /nfs/dbraw/zinc/23/42/61/641234261.db2.gz OUPLXKOWSJLJQY-CABCVRRESA-N 2 3 255.450 2.345 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CCN ZINC000846226540 641234266 /nfs/dbraw/zinc/23/42/66/641234266.db2.gz OUPLXKOWSJLJQY-CABCVRRESA-N 2 3 255.450 2.345 20 0 CEADHP CCCC[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210158 813730120 /nfs/dbraw/zinc/73/01/20/813730120.db2.gz IIRJMTAGCFQLFE-LSDHHAIUSA-N 2 3 267.461 2.277 20 0 CEADHP CC(C)[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C1CNC1 ZINC001246517817 813886245 /nfs/dbraw/zinc/88/62/45/813886245.db2.gz MVBFXIQGNGEDEG-MRXNPFEDSA-N 2 3 279.472 2.132 20 0 CEADHP C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246911076 814384667 /nfs/dbraw/zinc/38/46/67/814384667.db2.gz PDCZIWKKZMZNLY-KBUPBQIOSA-N 2 3 267.461 2.355 20 0 CEADHP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246911076 814384678 /nfs/dbraw/zinc/38/46/78/814384678.db2.gz PDCZIWKKZMZNLY-KBUPBQIOSA-N 2 3 267.461 2.355 20 0 CEADHP CC(C)N(C)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000221927656 539222806 /nfs/dbraw/zinc/22/28/06/539222806.db2.gz RGYOAQKMDKQPHS-AWEZNQCLSA-N 2 3 255.450 2.037 20 0 CEADHP C[NH+](C)CC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351533427 219118265 /nfs/dbraw/zinc/11/82/65/219118265.db2.gz NLDDPIYNWUZBMS-MRXNPFEDSA-N 2 3 267.461 2.134 20 0 CEADHP C[NH+](C)CC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351533427 219118266 /nfs/dbraw/zinc/11/82/66/219118266.db2.gz NLDDPIYNWUZBMS-MRXNPFEDSA-N 2 3 267.461 2.134 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCCC[C@H]1C ZINC000336791323 365813671 /nfs/dbraw/zinc/81/36/71/365813671.db2.gz NBHSMYVZLDUROF-LSDHHAIUSA-N 2 3 255.450 2.358 20 0 CEADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003217 296001782 /nfs/dbraw/zinc/00/17/82/296001782.db2.gz FNGDBUBNIITOGX-PQEBFOHHSA-N 2 3 279.472 2.275 20 0 CEADHP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423272338 377194675 /nfs/dbraw/zinc/19/46/75/377194675.db2.gz JXBXTQORDDSGIT-YYIAUSFCSA-N 2 3 279.472 2.277 20 0 CEADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000564825476 377466590 /nfs/dbraw/zinc/46/65/90/377466590.db2.gz KGTUILKCUSVKKM-RDJZCZTQSA-N 2 3 288.439 2.015 20 0 CEADHP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000414899330 394794670 /nfs/dbraw/zinc/79/46/70/394794670.db2.gz FLHYRWTWJOEHMT-KZNAEPCWSA-N 2 3 287.451 2.226 20 0 CEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000422835408 394819867 /nfs/dbraw/zinc/81/98/67/394819867.db2.gz IUIYYJWPVHNCJS-CABCVRRESA-N 2 3 269.477 2.460 20 0 CEADHP [NH3+][C@@H]1C[C@H](NCCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487372 394931928 /nfs/dbraw/zinc/93/19/28/394931928.db2.gz UGJKULLERSJYCB-WQVCFCJDSA-N 2 3 259.397 2.253 20 0 CEADHP CC[NH+](CC)C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315635 395319859 /nfs/dbraw/zinc/31/98/59/395319859.db2.gz LAHKGLYEROORKS-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315635 395319864 /nfs/dbraw/zinc/31/98/64/395319864.db2.gz LAHKGLYEROORKS-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CCN(CC)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315635 395319867 /nfs/dbraw/zinc/31/98/67/395319867.db2.gz LAHKGLYEROORKS-JKSUJKDBSA-N 2 3 267.461 2.040 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786399 395754470 /nfs/dbraw/zinc/75/44/70/395754470.db2.gz OIXOGQOJPNBTLV-QBPKDAKJSA-N 2 3 279.472 2.085 20 0 CEADHP C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401000091 414748747 /nfs/dbraw/zinc/74/87/47/414748747.db2.gz AZQBSFSMPMRAEH-YYIAUSFCSA-N 2 3 279.472 2.229 20 0 CEADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000656199688 415633430 /nfs/dbraw/zinc/63/34/30/415633430.db2.gz AXRUKKHETMNFMM-BQJWPVKWSA-N 2 3 279.472 2.227 20 0 CEADHP CC[NH2+]CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662244572 415707910 /nfs/dbraw/zinc/70/79/10/415707910.db2.gz IBZPPXLBFXGQOJ-UHFFFAOYSA-N 2 3 287.451 2.154 20 0 CEADHP C[C@@H]1C[C@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000662284073 415751612 /nfs/dbraw/zinc/75/16/12/415751612.db2.gz SQXARBCYNUNDOF-KEYYUXOJSA-N 2 3 287.451 2.138 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000666955355 419492526 /nfs/dbraw/zinc/49/25/26/419492526.db2.gz BEVDLOXGFFMDIF-RBSFLKMASA-N 2 3 265.445 2.029 20 0 CEADHP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000580639561 322331733 /nfs/dbraw/zinc/33/17/33/322331733.db2.gz NBMMBQAESLRRHB-MZBWOGCUSA-N 2 3 279.472 2.404 20 0 CEADHP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000580639558 322331776 /nfs/dbraw/zinc/33/17/76/322331776.db2.gz NBMMBQAESLRRHB-BQJWPVKWSA-N 2 3 279.472 2.404 20 0 CEADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000581022163 322363346 /nfs/dbraw/zinc/36/33/46/322363346.db2.gz MSPSJYYIPUQNIN-CVEARBPZSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H](CC[NH2+]CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000893534883 628689955 /nfs/dbraw/zinc/68/99/55/628689955.db2.gz RWJFEAVWHBETKK-HNNXBMFYSA-N 2 3 267.461 2.182 20 0 CEADHP [NH3+][C@H](C[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156026 649299423 /nfs/dbraw/zinc/29/94/23/649299423.db2.gz CTZKGQCCNJKNEZ-BFYDXBDKSA-N 2 3 279.472 2.216 20 0 CEADHP CCN(C)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168328652 806658403 /nfs/dbraw/zinc/65/84/03/806658403.db2.gz AVEFGSAJGLRYDX-UHFFFAOYSA-N 2 3 267.461 2.275 20 0 CEADHP CCCC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208812 813730465 /nfs/dbraw/zinc/73/04/65/813730465.db2.gz FESITHOQWLHYQM-VGWMRTNUSA-N 2 3 267.461 2.404 20 0 CEADHP C[C@H](C[NH2+][C@@H]1CCN[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001246331417 813780684 /nfs/dbraw/zinc/78/06/84/813780684.db2.gz ACFVZOZUEZAEKV-MELADBBJSA-N 2 3 255.450 2.118 20 0 CEADHP CC[C@@H]1C[C@@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246659885 814251006 /nfs/dbraw/zinc/25/10/06/814251006.db2.gz ZAXHPXXVQROXQQ-IKGGRYGDSA-N 2 3 279.472 2.371 20 0 CEADHP CC[C@@H]1C[C@@H]([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN1 ZINC001246659885 814251012 /nfs/dbraw/zinc/25/10/12/814251012.db2.gz ZAXHPXXVQROXQQ-IKGGRYGDSA-N 2 3 279.472 2.371 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339075599 539658495 /nfs/dbraw/zinc/65/84/95/539658495.db2.gz PRXLKULUYORYKI-SJORKVTESA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339075599 539658499 /nfs/dbraw/zinc/65/84/99/539658499.db2.gz PRXLKULUYORYKI-SJORKVTESA-N 2 3 279.472 2.325 20 0 CEADHP CC[NH+]1CCC(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339075599 539658505 /nfs/dbraw/zinc/65/85/05/539658505.db2.gz PRXLKULUYORYKI-SJORKVTESA-N 2 3 279.472 2.325 20 0 CEADHP N[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000635004063 369039694 /nfs/dbraw/zinc/03/96/94/369039694.db2.gz CXRSSJLUUWUXQL-CGZBRXJRSA-N 2 3 275.440 2.054 20 0 CEADHP C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC[NH+](C)CC1 ZINC000682915866 541733679 /nfs/dbraw/zinc/73/36/79/541733679.db2.gz CCDRUMPPLZJKMB-HNNXBMFYSA-N 2 3 281.488 2.428 20 0 CEADHP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423337982 377269470 /nfs/dbraw/zinc/26/94/70/377269470.db2.gz HWXGDPWBZRLYRT-APWZRJJASA-N 2 3 299.462 2.406 20 0 CEADHP C[C@@H](NCC1=CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423337982 377269478 /nfs/dbraw/zinc/26/94/78/377269478.db2.gz HWXGDPWBZRLYRT-APWZRJJASA-N 2 3 299.462 2.406 20 0 CEADHP C[C@@H](NCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337982 377269484 /nfs/dbraw/zinc/26/94/84/377269484.db2.gz HWXGDPWBZRLYRT-APWZRJJASA-N 2 3 299.462 2.406 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422735544 394747523 /nfs/dbraw/zinc/74/75/23/394747523.db2.gz FEACFVCHAFEKNV-HUUCEWRRSA-N 2 3 255.450 2.214 20 0 CEADHP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000422777998 394777617 /nfs/dbraw/zinc/77/76/17/394777617.db2.gz DHMHIAVUGZYFCR-FUHWJXTLSA-N 2 3 289.467 2.486 20 0 CEADHP CC1CC[NH+](C[C@@H]2CCCN(CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327044 395329163 /nfs/dbraw/zinc/32/91/63/395329163.db2.gz YHAFHOJDPLPRGU-ZWKOTPCHSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327044 395329168 /nfs/dbraw/zinc/32/91/68/395329168.db2.gz YHAFHOJDPLPRGU-ZWKOTPCHSA-N 2 3 293.499 2.430 20 0 CEADHP CC1CCN(C[C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327044 395329170 /nfs/dbraw/zinc/32/91/70/395329170.db2.gz YHAFHOJDPLPRGU-ZWKOTPCHSA-N 2 3 293.499 2.430 20 0 CEADHP C(C[N@@H+]1CC[C@H](CN2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326822 395329410 /nfs/dbraw/zinc/32/94/10/395329410.db2.gz XSIPSSQJITWUJG-IAGOWNOFSA-N 2 3 279.472 2.184 20 0 CEADHP C(C[N@H+]1CC[C@H](CN2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326822 395329414 /nfs/dbraw/zinc/32/94/14/395329414.db2.gz XSIPSSQJITWUJG-IAGOWNOFSA-N 2 3 279.472 2.184 20 0 CEADHP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326822 395329418 /nfs/dbraw/zinc/32/94/18/395329418.db2.gz XSIPSSQJITWUJG-IAGOWNOFSA-N 2 3 279.472 2.184 20 0 CEADHP CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786398 395754534 /nfs/dbraw/zinc/75/45/34/395754534.db2.gz OIXOGQOJPNBTLV-LTIDMASMSA-N 2 3 279.472 2.085 20 0 CEADHP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CN1CCCCC1 ZINC000401021330 414749727 /nfs/dbraw/zinc/74/97/27/414749727.db2.gz KZBFWZSVFXYTMX-WCXIOVBPSA-N 2 3 279.472 2.086 20 0 CEADHP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258613 415653965 /nfs/dbraw/zinc/65/39/65/415653965.db2.gz GFBZQSMFXKVTOF-KBRIMQKVSA-N 2 3 293.430 2.378 20 0 CEADHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000925712358 628562295 /nfs/dbraw/zinc/56/22/95/628562295.db2.gz PBODKHFRRIHHEY-HUUCEWRRSA-N 2 3 261.413 2.141 20 0 CEADHP C[N@@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000817948846 633795061 /nfs/dbraw/zinc/79/50/61/633795061.db2.gz LWECJWNWEYUZHV-SQNIBIBYSA-N 2 3 287.451 2.150 20 0 CEADHP C[N@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000817948846 633795064 /nfs/dbraw/zinc/79/50/64/633795064.db2.gz LWECJWNWEYUZHV-SQNIBIBYSA-N 2 3 287.451 2.150 20 0 CEADHP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1C ZINC000903099176 634968712 /nfs/dbraw/zinc/96/87/12/634968712.db2.gz CSOLOTOYFPFGNS-VUZHLFFPSA-N 2 3 277.456 2.217 20 0 CEADHP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1C ZINC000903099176 634968716 /nfs/dbraw/zinc/96/87/16/634968716.db2.gz CSOLOTOYFPFGNS-VUZHLFFPSA-N 2 3 277.456 2.217 20 0 CEADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246502541 813871119 /nfs/dbraw/zinc/87/11/19/813871119.db2.gz FTFSYCOFWDDOCB-LSDHHAIUSA-N 2 3 279.472 2.275 20 0 CEADHP C[C@@H](NC1CCC(C)([NH+](C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000715553489 814979262 /nfs/dbraw/zinc/97/92/62/814979262.db2.gz RUDPLGQTWAJKKC-YHNBSYBMSA-N 2 3 267.461 2.370 20 0 CEADHP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@H](N)CCC[NH3+] ZINC001170904284 813631213 /nfs/dbraw/zinc/63/12/13/813631213.db2.gz NBHSOVHPVJZGOU-KRWDZBQOSA-N 2 3 290.455 2.417 20 0 CEADHP C[C@@H]1CC([NH2+]CCCCCCCC[NH3+])C[C@@H](C)N1 ZINC001246081097 813674697 /nfs/dbraw/zinc/67/46/97/813674697.db2.gz QYFZEEHRMWVCKV-ZIAGYGMSSA-N 2 3 255.450 2.404 20 0 CEADHP C[C@@H](C[NH2+][C@@H]1CCN[C@H](C)C1)CC(C)(C)CC[NH3+] ZINC001246331421 813780857 /nfs/dbraw/zinc/78/08/57/813780857.db2.gz ACFVZOZUEZAEKV-MGPQQGTHSA-N 2 3 255.450 2.118 20 0 CEADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000333809901 380152386 /nfs/dbraw/zinc/15/23/86/380152386.db2.gz JBMYNJUBISFIOJ-DGADGQDISA-N 2 3 265.445 2.014 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000422888061 394851397 /nfs/dbraw/zinc/85/13/97/394851397.db2.gz ZYMOYJXCOXNJPJ-XHSDSOJGSA-N 2 3 269.477 2.462 20 0 CEADHP [NH3+][C@@H]1C[C@@H](NCCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487365 394932517 /nfs/dbraw/zinc/93/25/17/394932517.db2.gz UGJKULLERSJYCB-APHBMKBZSA-N 2 3 259.397 2.253 20 0 CEADHP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CN1CCCCC1 ZINC000038041943 174044612 /nfs/dbraw/zinc/04/46/12/174044612.db2.gz ZBPANPOVQCTYEG-HZPDHXFCSA-N 2 3 281.488 2.428 20 0 CEADHP C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401000086 414748489 /nfs/dbraw/zinc/74/84/89/414748489.db2.gz AZQBSFSMPMRAEH-QBPKDAKJSA-N 2 3 279.472 2.229 20 0 CEADHP C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468030 414963531 /nfs/dbraw/zinc/96/35/31/414963531.db2.gz JYHQXNCAZRLPQA-DOTOQJQBSA-N 2 3 293.499 2.428 20 0 CEADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300099 415688645 /nfs/dbraw/zinc/68/86/45/415688645.db2.gz YJOGACGHXRLQKU-PBHICJAKSA-N 2 3 279.472 2.086 20 0 CEADHP CCN(Cc1cccc2c1CC[NH2+]C2)[C@H]1CCC[NH2+]CC1 ZINC000662266263 415731829 /nfs/dbraw/zinc/73/18/29/415731829.db2.gz GGZUHIUAXSCKCX-KRWDZBQOSA-N 2 3 287.451 2.296 20 0 CEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000666955353 419493016 /nfs/dbraw/zinc/49/30/16/419493016.db2.gz BEVDLOXGFFMDIF-KFWWJZLASA-N 2 3 265.445 2.029 20 0 CEADHP CCN(CC)CCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292009 271041311 /nfs/dbraw/zinc/04/13/11/271041311.db2.gz NXECPQUNWCCENF-OAHLLOKOSA-N 2 3 267.461 2.182 20 0 CEADHP CCN(CC)CCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292009 271041315 /nfs/dbraw/zinc/04/13/15/271041315.db2.gz NXECPQUNWCCENF-OAHLLOKOSA-N 2 3 267.461 2.182 20 0 CEADHP CC[NH+](CC)CCCN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292009 271041318 /nfs/dbraw/zinc/04/13/18/271041318.db2.gz NXECPQUNWCCENF-OAHLLOKOSA-N 2 3 267.461 2.182 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423469038 281050922 /nfs/dbraw/zinc/05/09/22/281050922.db2.gz YJVNCUFRQCFUMB-APIJFGDWSA-N 2 3 253.434 2.014 20 0 CEADHP C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@H]1CCC[NH2+]1 ZINC000423470982 281051334 /nfs/dbraw/zinc/05/13/34/281051334.db2.gz DRXWTVAXZWXHRQ-TWMKSMIVSA-N 2 3 279.472 2.419 20 0 CEADHP NCCC[N@H+](CCC1CC[NH2+]CC1)CC1CCCC1 ZINC000352504696 295229237 /nfs/dbraw/zinc/22/92/37/295229237.db2.gz TVPLSKQRVVSBAS-UHFFFAOYSA-N 2 3 267.461 2.217 20 0 CEADHP NCCC[N@@H+](CCC1CC[NH2+]CC1)CC1CCCC1 ZINC000352504696 295229240 /nfs/dbraw/zinc/22/92/40/295229240.db2.gz TVPLSKQRVVSBAS-UHFFFAOYSA-N 2 3 267.461 2.217 20 0 CEADHP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000250875417 303362150 /nfs/dbraw/zinc/36/21/50/303362150.db2.gz UBUAJQYUJBOEFF-UIEKQHFFSA-N 2 3 265.445 2.157 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000576129669 314245824 /nfs/dbraw/zinc/24/58/24/314245824.db2.gz YEZIWMAYUCLKRC-INIZCTEOSA-N 2 3 269.477 2.412 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576129669 314245826 /nfs/dbraw/zinc/24/58/26/314245826.db2.gz YEZIWMAYUCLKRC-INIZCTEOSA-N 2 3 269.477 2.412 20 0 CEADHP CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000925712359 628561925 /nfs/dbraw/zinc/56/19/25/628561925.db2.gz PBODKHFRRIHHEY-LSDHHAIUSA-N 2 3 261.413 2.141 20 0 CEADHP C[C@H](CC[NH2+]CC1CC[NH+](C)CC1)N1CCCCC1 ZINC000893534889 628689960 /nfs/dbraw/zinc/68/99/60/628689960.db2.gz RWJFEAVWHBETKK-OAHLLOKOSA-N 2 3 267.461 2.182 20 0 CEADHP C[NH2+]Cc1ccccc1CNCc1cccc2c1CC[NH2+]C2 ZINC000903931233 635357342 /nfs/dbraw/zinc/35/73/42/635357342.db2.gz BEWWMJXJUVEKIE-UHFFFAOYSA-N 2 3 295.430 2.342 20 0 CEADHP CCC1(N2CCC2)CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903953894 635387745 /nfs/dbraw/zinc/38/77/45/635387745.db2.gz NEHSFUGDETXDJR-ALOPSCKCSA-N 2 3 291.483 2.467 20 0 CEADHP CCC1([NH+]2CCC2)CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903953894 635387752 /nfs/dbraw/zinc/38/77/52/635387752.db2.gz NEHSFUGDETXDJR-ALOPSCKCSA-N 2 3 291.483 2.467 20 0 CEADHP C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220611 641228397 /nfs/dbraw/zinc/22/83/97/641228397.db2.gz RMIHUKAMMDIOHM-INIZCTEOSA-N 2 3 267.461 2.169 20 0 CEADHP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220611 641228404 /nfs/dbraw/zinc/22/84/04/641228404.db2.gz RMIHUKAMMDIOHM-INIZCTEOSA-N 2 3 267.461 2.169 20 0 CEADHP C[C@H]1C[N@H+](Cc2cc3c(s2)CNCC3)CCC[C@H]1C[NH3+] ZINC001206014833 811605054 /nfs/dbraw/zinc/60/50/54/811605054.db2.gz YGRXRWYVTKVTRC-JSGCOSHPSA-N 2 3 293.480 2.201 20 0 CEADHP C[C@H]1C[N@@H+](Cc2cc3c(s2)CNCC3)CCC[C@H]1C[NH3+] ZINC001206014833 811605057 /nfs/dbraw/zinc/60/50/57/811605057.db2.gz YGRXRWYVTKVTRC-JSGCOSHPSA-N 2 3 293.480 2.201 20 0 CEADHP CCCC[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)CCN1 ZINC001246254173 813753373 /nfs/dbraw/zinc/75/33/73/813753373.db2.gz XPUNUODMVCNUOX-FVQBIDKESA-N 2 3 267.461 2.275 20 0 CEADHP C(CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475363 366901071 /nfs/dbraw/zinc/90/10/71/366901071.db2.gz ACKIILFVZXKLJL-IAGOWNOFSA-N 2 3 279.472 2.469 20 0 CEADHP C(CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475363 366901077 /nfs/dbraw/zinc/90/10/77/366901077.db2.gz ACKIILFVZXKLJL-IAGOWNOFSA-N 2 3 279.472 2.469 20 0 CEADHP C(CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475363 366901083 /nfs/dbraw/zinc/90/10/83/366901083.db2.gz ACKIILFVZXKLJL-IAGOWNOFSA-N 2 3 279.472 2.469 20 0 CEADHP CN1CCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000161618456 367102464 /nfs/dbraw/zinc/10/24/64/367102464.db2.gz YRWJPMVOYWRMJR-QGZVFWFLSA-N 2 3 279.472 2.279 20 0 CEADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000635006586 369042800 /nfs/dbraw/zinc/04/28/00/369042800.db2.gz SGWBWKXBBAHRGN-SMLCLMEVSA-N 2 3 279.472 2.404 20 0 CEADHP C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])CN1CCCCC1 ZINC000310945162 376647632 /nfs/dbraw/zinc/64/76/32/376647632.db2.gz XPDQTXRKJUNWQP-GJZGRUSLSA-N 2 3 255.450 2.216 20 0 CEADHP CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422998852 376917242 /nfs/dbraw/zinc/91/72/42/376917242.db2.gz RFASBHNJVRXEFF-CVEARBPZSA-N 2 3 269.477 2.462 20 0 CEADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000423294953 377221572 /nfs/dbraw/zinc/22/15/72/377221572.db2.gz VVIJWQZHVKAQKM-MAZHCROVSA-N 2 3 261.413 2.456 20 0 CEADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422803161 394797824 /nfs/dbraw/zinc/79/78/24/394797824.db2.gz FQQPDLSHCPFJBA-ROUUACIJSA-N 2 3 287.451 2.499 20 0 CEADHP CC[NH+](CC)C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000649413936 396147494 /nfs/dbraw/zinc/14/74/94/396147494.db2.gz UOEJSYQOCULYBT-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413936 396147495 /nfs/dbraw/zinc/14/74/95/396147495.db2.gz UOEJSYQOCULYBT-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP CCN(CC)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413936 396147499 /nfs/dbraw/zinc/14/74/99/396147499.db2.gz UOEJSYQOCULYBT-KRWDZBQOSA-N 2 3 281.488 2.430 20 0 CEADHP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2c(c1)CNCC2 ZINC000662273654 415739842 /nfs/dbraw/zinc/73/98/42/415739842.db2.gz QKWRBYMOPTUCTG-INIZCTEOSA-N 2 3 299.462 2.154 20 0 CEADHP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC[NH2+]CC1 ZINC000423325334 270897088 /nfs/dbraw/zinc/89/70/88/270897088.db2.gz JLORKRZPYVDFAY-BZUAXINKSA-N 2 3 279.472 2.277 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000423463784 281047565 /nfs/dbraw/zinc/04/75/65/281047565.db2.gz VFKKDCCFPXLYPP-HUUCEWRRSA-N 2 3 293.455 2.405 20 0 CEADHP C[C@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CC[NH2+]CC1 ZINC000925727536 628646207 /nfs/dbraw/zinc/64/62/07/628646207.db2.gz HLBUMCHAFXTFGB-JQFCIGGWSA-N 2 3 279.472 2.132 20 0 CEADHP CC(C)(C)CC[C@@H](N)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334265 635577382 /nfs/dbraw/zinc/57/73/82/635577382.db2.gz QMPUHYCONXKUDP-ZIAGYGMSSA-N 2 3 255.450 2.201 20 0 CEADHP CC(C)(C)CC[C@@H](N)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334265 635577386 /nfs/dbraw/zinc/57/73/86/635577386.db2.gz QMPUHYCONXKUDP-ZIAGYGMSSA-N 2 3 255.450 2.201 20 0 CEADHP CN(CCCCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843363137 640405380 /nfs/dbraw/zinc/40/53/80/640405380.db2.gz NZOQGMVTVBVASP-YIONKMFJSA-N 2 3 253.434 2.110 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166497900 540304632 /nfs/dbraw/zinc/30/46/32/540304632.db2.gz CHXYCYXKGJPAED-DLBZAZTESA-N 2 3 279.472 2.325 20 0 CEADHP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000093491330 364192348 /nfs/dbraw/zinc/19/23/48/364192348.db2.gz WCVHKUSEGUIVJN-OWCLPIDISA-N 2 3 267.461 2.229 20 0 CEADHP CCCN(C)C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206189 371375593 /nfs/dbraw/zinc/37/55/93/371375593.db2.gz HDZKSJFJJRJXEW-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCCN(C)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206189 371375596 /nfs/dbraw/zinc/37/55/96/371375596.db2.gz HDZKSJFJJRJXEW-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@H+](C)C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359206189 371375601 /nfs/dbraw/zinc/37/56/01/371375601.db2.gz HDZKSJFJJRJXEW-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP CCC[N@@H+](C)C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000359206189 371375605 /nfs/dbraw/zinc/37/56/05/371375605.db2.gz HDZKSJFJJRJXEW-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728558 375940875 /nfs/dbraw/zinc/94/08/75/375940875.db2.gz CHEFNLHZUDCKGU-ONIAQPFYSA-N 2 3 287.451 2.049 20 0 CEADHP C[C@H]1C[C@@H](C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728558 375940880 /nfs/dbraw/zinc/94/08/80/375940880.db2.gz CHEFNLHZUDCKGU-ONIAQPFYSA-N 2 3 287.451 2.049 20 0 CEADHP C[C@H](CCCC[NH3+])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422999273 376916680 /nfs/dbraw/zinc/91/66/80/376916680.db2.gz XPXVPERMIXNEOO-OAHLLOKOSA-N 2 3 290.455 2.405 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423171033 377080212 /nfs/dbraw/zinc/08/02/12/377080212.db2.gz NETJEMCLKUSRFK-ZFWWWQNUSA-N 2 3 290.455 2.231 20 0 CEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171033 377080220 /nfs/dbraw/zinc/08/02/20/377080220.db2.gz NETJEMCLKUSRFK-ZFWWWQNUSA-N 2 3 290.455 2.231 20 0 CEADHP CC(C)N1CCC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422746973 394756349 /nfs/dbraw/zinc/75/63/49/394756349.db2.gz XUJVBNRKVWUCGL-PCKAHOCUSA-N 2 3 267.461 2.214 20 0 CEADHP CC[NH+]1CCC(CCN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422779285 394778731 /nfs/dbraw/zinc/77/87/31/394778731.db2.gz FSMSAEZPMAHZOW-HOCLYGCPSA-N 2 3 267.461 2.229 20 0 CEADHP CC[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422786986 394784846 /nfs/dbraw/zinc/78/48/46/394784846.db2.gz POVXXJFKCQEMCP-CVEARBPZSA-N 2 3 267.461 2.216 20 0 CEADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422787725 394785872 /nfs/dbraw/zinc/78/58/72/394785872.db2.gz QGFZJSXKOOIVGT-MSOLQXFVSA-N 2 3 287.451 2.499 20 0 CEADHP CC[NH+](CC)CCCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989147 395796799 /nfs/dbraw/zinc/79/67/99/395796799.db2.gz OYHCFMOGFNUCFE-QGZVFWFLSA-N 2 3 281.488 2.430 20 0 CEADHP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000650756105 401033324 /nfs/dbraw/zinc/03/33/24/401033324.db2.gz USHOIGFZQWKLNM-CVEARBPZSA-N 2 3 261.413 2.156 20 0 CEADHP CCN(Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[NH2+]CC1 ZINC000662266268 415731215 /nfs/dbraw/zinc/73/12/15/415731215.db2.gz GGZUHIUAXSCKCX-QGZVFWFLSA-N 2 3 287.451 2.296 20 0 CEADHP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2c(c1)CNCC2 ZINC000662273657 415739387 /nfs/dbraw/zinc/73/93/87/415739387.db2.gz QKWRBYMOPTUCTG-MRXNPFEDSA-N 2 3 299.462 2.154 20 0 CEADHP CC(C)(C)N1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414847129 278341575 /nfs/dbraw/zinc/34/15/75/278341575.db2.gz VGQIDJBTQVWFAU-CQSZACIVSA-N 2 3 267.461 2.229 20 0 CEADHP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OCCN(C)C)cc1 ZINC000423463785 281047711 /nfs/dbraw/zinc/04/77/11/281047711.db2.gz VFKKDCCFPXLYPP-LSDHHAIUSA-N 2 3 293.455 2.405 20 0 CEADHP CC(C)[N@H+](C)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000573722208 314173695 /nfs/dbraw/zinc/17/36/95/314173695.db2.gz AJAAZJHRIFDSRS-INIZCTEOSA-N 2 3 267.461 2.038 20 0 CEADHP CC(C)[N@@H+](C)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000573722208 314173699 /nfs/dbraw/zinc/17/36/99/314173699.db2.gz AJAAZJHRIFDSRS-INIZCTEOSA-N 2 3 267.461 2.038 20 0 CEADHP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000573722208 314173703 /nfs/dbraw/zinc/17/37/03/314173703.db2.gz AJAAZJHRIFDSRS-INIZCTEOSA-N 2 3 267.461 2.038 20 0 CEADHP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000573722208 314173708 /nfs/dbraw/zinc/17/37/08/314173708.db2.gz AJAAZJHRIFDSRS-INIZCTEOSA-N 2 3 267.461 2.038 20 0 CEADHP C[NH+](C)CC[C@H](NCC1CC[NH+](C)CC1)c1cccnc1 ZINC000896717549 630648760 /nfs/dbraw/zinc/64/87/60/630648760.db2.gz SBHWSSGMSLSXTI-KRWDZBQOSA-N 2 3 290.455 2.006 20 0 CEADHP CN1CCC2(CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903908450 635343703 /nfs/dbraw/zinc/34/37/03/635343703.db2.gz JDHSPCWUUMDURH-UHFFFAOYSA-N 2 3 299.462 2.393 20 0 CEADHP CN1CCC2(CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903908450 635343704 /nfs/dbraw/zinc/34/37/04/635343704.db2.gz JDHSPCWUUMDURH-UHFFFAOYSA-N 2 3 299.462 2.393 20 0 CEADHP C[NH+](C)C1(C)CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000904383930 635605641 /nfs/dbraw/zinc/60/56/41/635605641.db2.gz DEBLOFYRWFZFQD-HWOWSKLDSA-N 2 3 267.461 2.229 20 0 CEADHP C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329499 643660749 /nfs/dbraw/zinc/66/07/49/643660749.db2.gz UXYIZTLGYBEANO-BXEXHWSDSA-N 2 3 291.483 2.371 20 0 CEADHP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000873243153 649606734 /nfs/dbraw/zinc/60/67/34/649606734.db2.gz VNXKXBDDOIMSPK-HOTGVXAUSA-N 2 3 267.461 2.214 20 0 CEADHP CC(C)(C)N1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873260416 649614402 /nfs/dbraw/zinc/61/44/02/649614402.db2.gz ZZFBZVRPTOEUCI-RBVVOMGSSA-N 2 3 279.472 2.370 20 0 CEADHP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695371909 803666556 /nfs/dbraw/zinc/66/65/56/803666556.db2.gz HCNSPYHWTVTBAB-CEXWTWQISA-N 2 3 299.462 2.050 20 0 CEADHP c1ccc(CN2CC[C@H]3C[N@H+](C[C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695371909 803666557 /nfs/dbraw/zinc/66/65/57/803666557.db2.gz HCNSPYHWTVTBAB-CEXWTWQISA-N 2 3 299.462 2.050 20 0 CEADHP C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)CC1CC[NH2+]CC1 ZINC001246108866 813703173 /nfs/dbraw/zinc/70/31/73/813703173.db2.gz WQBJSMIBPPVDDT-ZSHCYNCHSA-N 2 3 265.445 2.029 20 0 CEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246226634 813740661 /nfs/dbraw/zinc/74/06/61/813740661.db2.gz AXMAQQXJIHOPSO-ZNMIVQPWSA-N 2 3 267.461 2.132 20 0 CEADHP C[C@@H](Cc1cccc(F)c1)NCCC[NH2+]CCCC[NH3+] ZINC001246459670 813840742 /nfs/dbraw/zinc/84/07/42/813840742.db2.gz YELDQPCRAZFESC-AWEZNQCLSA-N 2 3 281.419 2.065 20 0 CEADHP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCCC[C@@H]1C ZINC000336791321 365813060 /nfs/dbraw/zinc/81/30/60/365813060.db2.gz NBHSMYVZLDUROF-GJZGRUSLSA-N 2 3 255.450 2.358 20 0 CEADHP C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC[NH+](C)CC1 ZINC000624120792 350199088 /nfs/dbraw/zinc/19/90/88/350199088.db2.gz HAQQFSZGBQSAMV-CABCVRRESA-N 2 3 267.461 2.038 20 0 CEADHP C1[C@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CC[NH2+]CC2 ZINC000643536053 373191957 /nfs/dbraw/zinc/19/19/57/373191957.db2.gz MNMHNARPBLPTDH-FZKCQIBNSA-N 2 3 277.456 2.029 20 0 CEADHP C1[C@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCCN2)C12CC[NH2+]CC2 ZINC000643536053 373191964 /nfs/dbraw/zinc/19/19/64/373191964.db2.gz MNMHNARPBLPTDH-FZKCQIBNSA-N 2 3 277.456 2.029 20 0 CEADHP CC[N@H+](C)Cc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422735492 394747632 /nfs/dbraw/zinc/74/76/32/394747632.db2.gz DWVCFENWIDGKLE-UONOGXRCSA-N 2 3 263.429 2.354 20 0 CEADHP CC[N@@H+](C)Cc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422735492 394747633 /nfs/dbraw/zinc/74/76/33/394747633.db2.gz DWVCFENWIDGKLE-UONOGXRCSA-N 2 3 263.429 2.354 20 0 CEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783057 394781515 /nfs/dbraw/zinc/78/15/15/394781515.db2.gz KNTHGRZEPQOPFZ-HUUCEWRRSA-N 2 3 275.440 2.498 20 0 CEADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCC[NH3+])CC2)C1 ZINC000414897192 394794850 /nfs/dbraw/zinc/79/48/50/394794850.db2.gz BGLFDJYJONFFBY-GDBMZVCRSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422874937 394843895 /nfs/dbraw/zinc/84/38/95/394843895.db2.gz DQDWGLOPRUMSHW-SOUVJXGZSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422874937 394843898 /nfs/dbraw/zinc/84/38/98/394843898.db2.gz DQDWGLOPRUMSHW-SOUVJXGZSA-N 2 3 255.450 2.356 20 0 CEADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422884612 394849450 /nfs/dbraw/zinc/84/94/50/394849450.db2.gz SEFDBFHNWPUIOO-OWCLPIDISA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422884612 394849454 /nfs/dbraw/zinc/84/94/54/394849454.db2.gz SEFDBFHNWPUIOO-OWCLPIDISA-N 2 3 267.461 2.216 20 0 CEADHP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(OCCN(C)C)c1 ZINC000423344469 394893811 /nfs/dbraw/zinc/89/38/11/394893811.db2.gz WVZCEQVGBRIYMY-CQSZACIVSA-N 2 3 279.428 2.017 20 0 CEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000577274563 314359049 /nfs/dbraw/zinc/35/90/49/314359049.db2.gz OVCMEIOLAWWJTN-TVOJGKATSA-N 2 3 291.483 2.403 20 0 CEADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685991 628492339 /nfs/dbraw/zinc/49/23/39/628492339.db2.gz PBDBLNWMZVVDHM-LVQVYYBASA-N 2 3 279.472 2.085 20 0 CEADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925685991 628492340 /nfs/dbraw/zinc/49/23/40/628492340.db2.gz PBDBLNWMZVVDHM-LVQVYYBASA-N 2 3 279.472 2.085 20 0 CEADHP CC1(C)[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCCN[C@@H]21 ZINC000925700759 628538011 /nfs/dbraw/zinc/53/80/11/628538011.db2.gz SMPNUXCVHPTORZ-DGXTUMSLSA-N 2 3 279.472 2.118 20 0 CEADHP [NH3+]CCC[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925705886 628551860 /nfs/dbraw/zinc/55/18/60/628551860.db2.gz IYFFNFMTEQJNNI-ARFHVFGLSA-N 2 3 273.424 2.326 20 0 CEADHP C[C@@H]1C[C@H](C)[N@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000817880373 633750220 /nfs/dbraw/zinc/75/02/20/633750220.db2.gz QRHQRXXQXVPXIG-QLFBSQMISA-N 2 3 255.450 2.201 20 0 CEADHP C[C@@H]1C[C@H](C)[N@@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000817880373 633750223 /nfs/dbraw/zinc/75/02/23/633750223.db2.gz QRHQRXXQXVPXIG-QLFBSQMISA-N 2 3 255.450 2.201 20 0 CEADHP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1C ZINC000903099174 634968495 /nfs/dbraw/zinc/96/84/95/634968495.db2.gz CSOLOTOYFPFGNS-AZGATIOISA-N 2 3 277.456 2.217 20 0 CEADHP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1C ZINC000903099174 634968496 /nfs/dbraw/zinc/96/84/96/634968496.db2.gz CSOLOTOYFPFGNS-AZGATIOISA-N 2 3 277.456 2.217 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456733 635139150 /nfs/dbraw/zinc/13/91/50/635139150.db2.gz KDMZGDARDRNQDK-KLZNWCGWSA-N 2 3 277.456 2.063 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456733 635139152 /nfs/dbraw/zinc/13/91/52/635139152.db2.gz KDMZGDARDRNQDK-KLZNWCGWSA-N 2 3 277.456 2.063 20 0 CEADHP [NH3+]CCCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000846220815 641229177 /nfs/dbraw/zinc/22/91/77/641229177.db2.gz VKPCXEBOORZQIH-INIZCTEOSA-N 2 3 267.461 2.456 20 0 CEADHP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001206317764 816690844 /nfs/dbraw/zinc/69/08/44/816690844.db2.gz IGIUMNXHHMWHDT-INIZCTEOSA-N 2 3 293.480 2.345 20 0 CEADHP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001206317764 816690845 /nfs/dbraw/zinc/69/08/45/816690845.db2.gz IGIUMNXHHMWHDT-INIZCTEOSA-N 2 3 293.480 2.345 20 0 CEADHP C[NH+](C)CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000123936369 539179635 /nfs/dbraw/zinc/17/96/35/539179635.db2.gz YOXMAMURNIGJSI-UHFFFAOYSA-N 2 3 287.451 2.106 20 0 CEADHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339066136 539659733 /nfs/dbraw/zinc/65/97/33/539659733.db2.gz CHXYCYXKGJPAED-SJORKVTESA-N 2 3 279.472 2.325 20 0 CEADHP [NH3+][C@@H]1CC[C@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544348 180185657 /nfs/dbraw/zinc/18/56/57/180185657.db2.gz AOPYWDIOTZBBIW-LSDHHAIUSA-N 2 3 265.445 2.064 20 0 CEADHP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000091544348 180185658 /nfs/dbraw/zinc/18/56/58/180185658.db2.gz AOPYWDIOTZBBIW-LSDHHAIUSA-N 2 3 265.445 2.064 20 0 CEADHP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058284 367135811 /nfs/dbraw/zinc/13/58/11/367135811.db2.gz PICDVGLFKBEBBE-ROUUACIJSA-N 2 3 299.462 2.154 20 0 CEADHP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)CNCC2 ZINC000584058284 367135815 /nfs/dbraw/zinc/13/58/15/367135815.db2.gz PICDVGLFKBEBBE-ROUUACIJSA-N 2 3 299.462 2.154 20 0 CEADHP CC(C)C[C@H](N)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000414705750 375931513 /nfs/dbraw/zinc/93/15/13/375931513.db2.gz LWSIMAZGCVLXMJ-INIZCTEOSA-N 2 3 269.477 2.414 20 0 CEADHP C[C@H](C[NH2+][C@H](C)CCCC[NH3+])CN1CCCCC1 ZINC000310945163 376646611 /nfs/dbraw/zinc/64/66/11/376646611.db2.gz XPDQTXRKJUNWQP-HUUCEWRRSA-N 2 3 255.450 2.216 20 0 CEADHP C[N@H+](CCCCN[C@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893786 /nfs/dbraw/zinc/89/37/86/378893786.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCCN[C@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893795 /nfs/dbraw/zinc/89/37/95/378893795.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893800 /nfs/dbraw/zinc/89/38/00/378893800.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 2 3 265.445 2.077 20 0 CEADHP C[NH+](CCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893811 /nfs/dbraw/zinc/89/38/11/378893811.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@H+](CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893815 /nfs/dbraw/zinc/89/38/15/378893815.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 2 3 265.445 2.077 20 0 CEADHP C[N@@H+](CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893823 /nfs/dbraw/zinc/89/38/23/378893823.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 2 3 265.445 2.077 20 0 CEADHP CC(C)[C@H]([NH3+])CCN(C)CCCC1CC[NH2+]CC1 ZINC000647859060 395764982 /nfs/dbraw/zinc/76/49/82/395764982.db2.gz WKZLNVOJXGYXGI-OAHLLOKOSA-N 2 3 255.450 2.071 20 0 CEADHP CCN(CC)CCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292007 271041510 /nfs/dbraw/zinc/04/15/10/271041510.db2.gz NXECPQUNWCCENF-HNNXBMFYSA-N 2 3 267.461 2.182 20 0 CEADHP CCN(CC)CCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292007 271041514 /nfs/dbraw/zinc/04/15/14/271041514.db2.gz NXECPQUNWCCENF-HNNXBMFYSA-N 2 3 267.461 2.182 20 0 CEADHP CC[NH+](CC)CCCN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292007 271041517 /nfs/dbraw/zinc/04/15/17/271041517.db2.gz NXECPQUNWCCENF-HNNXBMFYSA-N 2 3 267.461 2.182 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423469048 281050911 /nfs/dbraw/zinc/05/09/11/281050911.db2.gz YJVNCUFRQCFUMB-CBBWQLFWSA-N 2 3 253.434 2.014 20 0 CEADHP CCCN(Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000904300080 635554070 /nfs/dbraw/zinc/55/40/70/635554070.db2.gz VOUMJTHBEZGKJD-UHFFFAOYSA-N 2 3 261.413 2.109 20 0 CEADHP CCC[N@H+](Cc1ccc(C[NH3+])cc1)C1CCNCC1 ZINC000904300080 635554073 /nfs/dbraw/zinc/55/40/73/635554073.db2.gz VOUMJTHBEZGKJD-UHFFFAOYSA-N 2 3 261.413 2.109 20 0 CEADHP CCC[N@@H+](Cc1ccc(C[NH3+])cc1)C1CCNCC1 ZINC000904300080 635554075 /nfs/dbraw/zinc/55/40/75/635554075.db2.gz VOUMJTHBEZGKJD-UHFFFAOYSA-N 2 3 261.413 2.109 20 0 CEADHP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000715544897 814974589 /nfs/dbraw/zinc/97/45/89/814974589.db2.gz UZIZBXRNJJCGCW-CIDNJEQPSA-N 2 3 267.461 2.356 20 0 CEADHP C[NH+](C)CCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000701412158 809429679 /nfs/dbraw/zinc/42/96/79/809429679.db2.gz NDBZVKIAPJFVKY-MRXNPFEDSA-N 2 3 267.461 2.040 20 0 CEADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003219 296000632 /nfs/dbraw/zinc/00/06/32/296000632.db2.gz FNGDBUBNIITOGX-QSPRXWTASA-N 2 3 279.472 2.275 20 0 CEADHP CN(C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000584004319 367130369 /nfs/dbraw/zinc/13/03/69/367130369.db2.gz HQCBARFNIIJOCW-MCIONIFRSA-N 2 3 255.450 2.212 20 0 CEADHP C[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000635004673 369040303 /nfs/dbraw/zinc/04/03/03/369040303.db2.gz FXEPQUQOQJQBEJ-CRAIPNDOSA-N 2 3 289.467 2.266 20 0 CEADHP NC[C@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423138492 377037835 /nfs/dbraw/zinc/03/78/35/377037835.db2.gz SYZWLEATXIWTSQ-HZPDHXFCSA-N 2 3 267.461 2.360 20 0 CEADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719756 394739184 /nfs/dbraw/zinc/73/91/84/394739184.db2.gz RFKBNLJVFMAWLU-JKSUJKDBSA-N 2 3 267.461 2.360 20 0 CEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422867245 394837992 /nfs/dbraw/zinc/83/79/92/394837992.db2.gz RUUYUXWKFGVWOU-KBRIMQKVSA-N 2 3 291.439 2.078 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422874227 394841908 /nfs/dbraw/zinc/84/19/08/394841908.db2.gz CIGPHZREAUMPEB-QXSJWSMHSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422874227 394841913 /nfs/dbraw/zinc/84/19/13/394841913.db2.gz CIGPHZREAUMPEB-QXSJWSMHSA-N 2 3 267.461 2.214 20 0 CEADHP C[C@H]1CCC[N@H+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422884666 394849004 /nfs/dbraw/zinc/84/90/04/394849004.db2.gz SNHXKXXIWGBLSV-PMRDEQMMSA-N 2 3 279.472 2.371 20 0 CEADHP C[C@H]1CCC[N@@H+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422884666 394849007 /nfs/dbraw/zinc/84/90/07/394849007.db2.gz SNHXKXXIWGBLSV-PMRDEQMMSA-N 2 3 279.472 2.371 20 0 CEADHP C[C@@H](CCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000422886769 394850287 /nfs/dbraw/zinc/85/02/87/394850287.db2.gz XNQNAPWEYQNLMT-KFWWJZLASA-N 2 3 255.450 2.071 20 0 CEADHP CC1CC[NH+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422888057 394850968 /nfs/dbraw/zinc/85/09/68/394850968.db2.gz ZXUVCVWZCYSZEN-SJPCQFCGSA-N 2 3 279.472 2.371 20 0 CEADHP CCN(CC)CCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420323525 395325849 /nfs/dbraw/zinc/32/58/49/395325849.db2.gz YLJLQOKEYPPCIQ-INIZCTEOSA-N 2 3 267.461 2.040 20 0 CEADHP C[NH2+]Cc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000650755861 401032886 /nfs/dbraw/zinc/03/28/86/401032886.db2.gz OJVHDCKPAJNIEF-XJKSGUPXSA-N 2 3 261.413 2.013 20 0 CEADHP CC1CCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401002166 414748400 /nfs/dbraw/zinc/74/84/00/414748400.db2.gz BYETULMEDCWAQP-BRWVUGGUSA-N 2 3 279.472 2.086 20 0 CEADHP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CNCC3)CC1 ZINC000656785725 415862510 /nfs/dbraw/zinc/86/25/10/415862510.db2.gz JALFEEGANQGRBI-SHTZXODSSA-N 2 3 287.451 2.187 20 0 CEADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCC[NH3+])CC2)C1 ZINC000414897193 278347491 /nfs/dbraw/zinc/34/74/91/278347491.db2.gz BGLFDJYJONFFBY-GOEBONIOSA-N 2 3 267.461 2.358 20 0 CEADHP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CNC1 ZINC000422907112 280958202 /nfs/dbraw/zinc/95/82/02/280958202.db2.gz WPKGVCWTCFNUOE-OAHLLOKOSA-N 2 3 287.451 2.096 20 0 CEADHP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000423463782 281047637 /nfs/dbraw/zinc/04/76/37/281047637.db2.gz VFKKDCCFPXLYPP-CABCVRRESA-N 2 3 293.455 2.405 20 0 CEADHP [NH3+][C@H]1C[C@H](NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465279 281048741 /nfs/dbraw/zinc/04/87/41/281048741.db2.gz HMXGTQQMGHQSJY-VZAMPYOESA-N 2 3 259.397 2.238 20 0 CEADHP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925703923 628546871 /nfs/dbraw/zinc/54/68/71/628546871.db2.gz WEWKDTDKFFZNLU-IAGOWNOFSA-N 2 3 279.472 2.134 20 0 CEADHP C[C@@H]([NH3+])[C@H](N[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000925727778 628646861 /nfs/dbraw/zinc/64/68/61/628646861.db2.gz HXJSLWPSJVLYAH-WWGRRREGSA-N 2 3 261.413 2.053 20 0 CEADHP C(CC[NH2+][C@@H]1CCNC12CCC2)CCC1CC[NH2+]CC1 ZINC000925806722 628858421 /nfs/dbraw/zinc/85/84/21/628858421.db2.gz GXVDKDDIQRYYGK-MRXNPFEDSA-N 2 3 279.472 2.421 20 0 CEADHP CC1([NH+]2CCCCC2)CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903478697 635147087 /nfs/dbraw/zinc/14/70/87/635147087.db2.gz LTNDCUWUUNUDNG-CVEARBPZSA-N 2 3 279.472 2.454 20 0 CEADHP CC(C)(C)CC[C@@H](N)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904374511 635595121 /nfs/dbraw/zinc/59/51/21/635595121.db2.gz SJJLGIIWDNRCLS-OAHLLOKOSA-N 2 3 263.429 2.389 20 0 CEADHP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327040 643664861 /nfs/dbraw/zinc/66/48/61/643664861.db2.gz AMOLWOAPZYGGHB-HSEDZPOISA-N 2 3 277.456 2.122 20 0 CEADHP